USER MOD reduce.3.24.130724 H: found=0, std=0, add=509, rem=0, adj=22 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= 1.1 USER MOD Set 1.2: A 56 THR OG1 : rot 82:sc= 1.04 USER MOD Set 2.1: A 37 SER OG : rot 110:sc= 0.838 USER MOD Set 2.2: A 40 ASN : amide:sc= 0.703 X(o=1.5,f=1.3) USER MOD Set 3.1: A 13 THR OG1 : rot 180:sc= 0.00574 USER MOD Set 3.2: A 14 CYS SG : rot 180:sc= 0.291 USER MOD Set 3.3: A 16 SER OG : rot 97:sc= 0.261 USER MOD Set 3.4: A 17 CYS SG : rot -93:sc= 0.169 USER MOD Set 4.1: A 3 GLN : amide:sc= 0.396 K(o=1.4,f=0.55) USER MOD Set 4.2: A 47 TYR OH : rot 129:sc= 1.03 USER MOD Single : A 2 THR OG1 : rot -32:sc= 0.147 USER MOD Single : A 5 THR OG1 : rot -140:sc= 0 USER MOD Single : A 8 ASN : amide:sc=-0.00335 K(o=-0.0033,f=-1) USER MOD Single : A 12 MET CE :methyl 177:sc=-0.00489 (180deg=-0.0127) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 GLN : amide:sc= 0.555 K(o=0.56,f=-0.064) USER MOD Single : A 20 SER OG : rot -23:sc= 0.508 USER MOD Single : A 26 SER OG : rot 77:sc= 1.01 USER MOD Single : A 27 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.11) USER MOD Single : A 28 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0416) USER MOD Single : A 32 LYS NZ :NH3+ 168:sc=-0.000169 (180deg=-0.15) USER MOD Single : A 33 SER OG : rot -81:sc= 1.65 USER MOD Single : A 41 SER OG : rot 12:sc= 0.822 USER MOD Single : A 42 ASN : amide:sc= -0.148 K(o=-0.15,f=-2) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.0444 USER MOD Single : A 64 MET CE :methyl 158:sc= 0 (180deg=-0.115) USER MOD Single : A 69 THR OG1 : rot 34:sc= 0.0336 USER MOD ----------------------------------------------------------------- ATOM 22 N THR A 2 5.750 -15.075 -2.833 1.00 0.00 N ATOM 23 CA THR A 2 5.786 -13.623 -2.952 1.00 0.00 C ATOM 24 C THR A 2 4.989 -13.176 -4.178 1.00 0.00 C ATOM 25 O THR A 2 5.030 -13.833 -5.218 1.00 0.00 O ATOM 26 CB THR A 2 7.238 -13.134 -3.067 1.00 0.00 C ATOM 27 OG1 THR A 2 7.897 -13.797 -4.127 1.00 0.00 O ATOM 28 CG2 THR A 2 8.022 -13.355 -1.772 1.00 0.00 C ATOM 0 HA THR A 2 5.337 -13.189 -2.058 1.00 0.00 H new ATOM 0 HB THR A 2 7.199 -12.063 -3.264 1.00 0.00 H new ATOM 0 HG1 THR A 2 7.537 -14.704 -4.220 1.00 0.00 H new ATOM 0 HG21 THR A 2 9.043 -12.995 -1.899 1.00 0.00 H new ATOM 0 HG22 THR A 2 7.543 -12.809 -0.959 1.00 0.00 H new ATOM 0 HG23 THR A 2 8.039 -14.419 -1.534 1.00 0.00 H new ATOM 36 N GLN A 3 4.288 -12.045 -4.048 1.00 0.00 N ATOM 37 CA GLN A 3 3.615 -11.334 -5.127 1.00 0.00 C ATOM 38 C GLN A 3 3.813 -9.834 -4.909 1.00 0.00 C ATOM 39 O GLN A 3 4.186 -9.408 -3.817 1.00 0.00 O ATOM 40 CB GLN A 3 2.118 -11.671 -5.142 1.00 0.00 C ATOM 41 CG GLN A 3 1.852 -13.095 -5.635 1.00 0.00 C ATOM 42 CD GLN A 3 0.361 -13.416 -5.756 1.00 0.00 C ATOM 43 OE1 GLN A 3 -0.495 -12.629 -5.358 1.00 0.00 O ATOM 44 NE2 GLN A 3 0.046 -14.590 -6.305 1.00 0.00 N ATOM 0 H GLN A 3 4.172 -11.584 -3.145 1.00 0.00 H new ATOM 0 HA GLN A 3 4.037 -11.634 -6.086 1.00 0.00 H new ATOM 0 HB2 GLN A 3 1.711 -11.554 -4.138 1.00 0.00 H new ATOM 0 HB3 GLN A 3 1.594 -10.962 -5.783 1.00 0.00 H new ATOM 0 HG2 GLN A 3 2.328 -13.232 -6.606 1.00 0.00 H new ATOM 0 HG3 GLN A 3 2.316 -13.804 -4.949 1.00 0.00 H new ATOM 0 HE21 GLN A 3 0.784 -15.218 -6.624 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -0.933 -14.860 -6.406 1.00 0.00 H new ATOM 53 N GLU A 4 3.557 -9.040 -5.956 1.00 0.00 N ATOM 54 CA GLU A 4 3.604 -7.586 -5.918 1.00 0.00 C ATOM 55 C GLU A 4 2.290 -7.025 -6.456 1.00 0.00 C ATOM 56 O GLU A 4 1.650 -7.651 -7.300 1.00 0.00 O ATOM 57 CB GLU A 4 4.798 -7.062 -6.728 1.00 0.00 C ATOM 58 CG GLU A 4 6.131 -7.525 -6.129 1.00 0.00 C ATOM 59 CD GLU A 4 7.318 -6.843 -6.801 1.00 0.00 C ATOM 60 OE1 GLU A 4 7.607 -7.215 -7.959 1.00 0.00 O ATOM 61 OE2 GLU A 4 7.916 -5.961 -6.146 1.00 0.00 O ATOM 0 H GLU A 4 3.306 -9.408 -6.874 1.00 0.00 H new ATOM 0 HA GLU A 4 3.735 -7.256 -4.887 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.721 -7.410 -7.758 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.770 -5.973 -6.756 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.144 -7.309 -5.061 1.00 0.00 H new ATOM 0 HG3 GLU A 4 6.223 -8.606 -6.237 1.00 0.00 H new ATOM 68 N THR A 5 1.894 -5.848 -5.957 1.00 0.00 N ATOM 69 CA THR A 5 0.676 -5.160 -6.361 1.00 0.00 C ATOM 70 C THR A 5 0.910 -3.652 -6.353 1.00 0.00 C ATOM 71 O THR A 5 1.714 -3.156 -5.565 1.00 0.00 O ATOM 72 CB THR A 5 -0.492 -5.559 -5.441 1.00 0.00 C ATOM 73 OG1 THR A 5 -1.689 -4.938 -5.863 1.00 0.00 O ATOM 74 CG2 THR A 5 -0.257 -5.179 -3.973 1.00 0.00 C ATOM 0 H THR A 5 2.426 -5.343 -5.248 1.00 0.00 H new ATOM 0 HA THR A 5 0.410 -5.456 -7.376 1.00 0.00 H new ATOM 0 HB THR A 5 -0.566 -6.644 -5.510 1.00 0.00 H new ATOM 0 HG1 THR A 5 -2.199 -4.643 -5.079 1.00 0.00 H new ATOM 0 HG21 THR A 5 -1.115 -5.486 -3.376 1.00 0.00 H new ATOM 0 HG22 THR A 5 0.639 -5.680 -3.606 1.00 0.00 H new ATOM 0 HG23 THR A 5 -0.127 -4.100 -3.893 1.00 0.00 H new ATOM 82 N VAL A 6 0.191 -2.941 -7.229 1.00 0.00 N ATOM 83 CA VAL A 6 0.120 -1.490 -7.271 1.00 0.00 C ATOM 84 C VAL A 6 -1.304 -1.108 -6.877 1.00 0.00 C ATOM 85 O VAL A 6 -2.263 -1.612 -7.463 1.00 0.00 O ATOM 86 CB VAL A 6 0.472 -0.960 -8.672 1.00 0.00 C ATOM 87 CG1 VAL A 6 0.489 0.576 -8.677 1.00 0.00 C ATOM 88 CG2 VAL A 6 1.842 -1.466 -9.141 1.00 0.00 C ATOM 0 H VAL A 6 -0.376 -3.384 -7.952 1.00 0.00 H new ATOM 0 HA VAL A 6 0.841 -1.046 -6.585 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.294 -1.329 -9.354 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.740 0.934 -9.676 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.494 0.952 -8.393 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.233 0.934 -7.966 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.055 -1.071 -10.134 1.00 0.00 H new ATOM 0 HG22 VAL A 6 2.611 -1.132 -8.445 1.00 0.00 H new ATOM 0 HG23 VAL A 6 1.834 -2.555 -9.178 1.00 0.00 H new ATOM 98 N ILE A 7 -1.434 -0.221 -5.887 1.00 0.00 N ATOM 99 CA ILE A 7 -2.704 0.317 -5.426 1.00 0.00 C ATOM 100 C ILE A 7 -2.609 1.832 -5.588 1.00 0.00 C ATOM 101 O ILE A 7 -1.712 2.444 -5.016 1.00 0.00 O ATOM 102 CB ILE A 7 -2.951 -0.098 -3.961 1.00 0.00 C ATOM 103 CG1 ILE A 7 -2.870 -1.632 -3.817 1.00 0.00 C ATOM 104 CG2 ILE A 7 -4.317 0.426 -3.489 1.00 0.00 C ATOM 105 CD1 ILE A 7 -3.104 -2.125 -2.386 1.00 0.00 C ATOM 0 H ILE A 7 -0.634 0.149 -5.374 1.00 0.00 H new ATOM 0 HA ILE A 7 -3.548 -0.068 -5.999 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.177 0.342 -3.332 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -3.608 -2.090 -4.476 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.889 -1.969 -4.153 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.483 0.128 -2.454 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -4.334 1.513 -3.561 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -5.104 0.008 -4.117 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -3.032 -3.212 -2.359 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -2.351 -1.696 -1.725 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -4.096 -1.818 -2.053 1.00 0.00 H new ATOM 117 N ASN A 8 -3.514 2.438 -6.364 1.00 0.00 N ATOM 118 CA ASN A 8 -3.574 3.887 -6.512 1.00 0.00 C ATOM 119 C ASN A 8 -4.296 4.462 -5.298 1.00 0.00 C ATOM 120 O ASN A 8 -5.360 3.970 -4.927 1.00 0.00 O ATOM 121 CB ASN A 8 -4.275 4.272 -7.820 1.00 0.00 C ATOM 122 CG ASN A 8 -3.479 3.856 -9.057 1.00 0.00 C ATOM 123 OD1 ASN A 8 -2.276 3.613 -8.987 1.00 0.00 O ATOM 124 ND2 ASN A 8 -4.156 3.763 -10.203 1.00 0.00 N ATOM 0 H ASN A 8 -4.220 1.936 -6.903 1.00 0.00 H new ATOM 0 HA ASN A 8 -2.567 4.301 -6.562 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -5.259 3.805 -7.852 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -4.433 5.350 -7.840 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -3.675 3.483 -11.058 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -5.154 3.972 -10.224 1.00 0.00 H new ATOM 131 N ILE A 9 -3.698 5.485 -4.677 1.00 0.00 N ATOM 132 CA ILE A 9 -4.130 6.070 -3.418 1.00 0.00 C ATOM 133 C ILE A 9 -4.258 7.574 -3.644 1.00 0.00 C ATOM 134 O ILE A 9 -3.264 8.294 -3.565 1.00 0.00 O ATOM 135 CB ILE A 9 -3.121 5.748 -2.293 1.00 0.00 C ATOM 136 CG1 ILE A 9 -2.889 4.231 -2.168 1.00 0.00 C ATOM 137 CG2 ILE A 9 -3.641 6.322 -0.963 1.00 0.00 C ATOM 138 CD1 ILE A 9 -1.768 3.880 -1.187 1.00 0.00 C ATOM 0 H ILE A 9 -2.869 5.940 -5.058 1.00 0.00 H new ATOM 0 HA ILE A 9 -5.087 5.656 -3.102 1.00 0.00 H new ATOM 0 HB ILE A 9 -2.164 6.208 -2.540 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.813 3.753 -1.843 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.647 3.823 -3.150 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.931 6.096 -0.167 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.754 7.402 -1.053 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.606 5.874 -0.726 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -1.651 2.797 -1.141 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -0.835 4.332 -1.524 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.019 4.260 -0.197 1.00 0.00 H new ATOM 150 N ASP A 10 -5.479 8.046 -3.917 1.00 0.00 N ATOM 151 CA ASP A 10 -5.756 9.468 -4.072 1.00 0.00 C ATOM 152 C ASP A 10 -6.359 10.012 -2.776 1.00 0.00 C ATOM 153 O ASP A 10 -6.955 9.271 -1.994 1.00 0.00 O ATOM 154 CB ASP A 10 -6.635 9.726 -5.303 1.00 0.00 C ATOM 155 CG ASP A 10 -8.018 9.094 -5.195 1.00 0.00 C ATOM 156 OD1 ASP A 10 -8.109 7.877 -5.464 1.00 0.00 O ATOM 157 OD2 ASP A 10 -8.958 9.844 -4.849 1.00 0.00 O ATOM 0 H ASP A 10 -6.298 7.450 -4.036 1.00 0.00 H new ATOM 0 HA ASP A 10 -4.827 10.009 -4.253 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -6.744 10.801 -5.445 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -6.133 9.337 -6.189 1.00 0.00 H new ATOM 162 N GLY A 11 -6.166 11.316 -2.552 1.00 0.00 N ATOM 163 CA GLY A 11 -6.512 12.000 -1.315 1.00 0.00 C ATOM 164 C GLY A 11 -5.296 12.214 -0.408 1.00 0.00 C ATOM 165 O GLY A 11 -5.464 12.678 0.718 1.00 0.00 O ATOM 0 H GLY A 11 -5.753 11.936 -3.249 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.961 12.965 -1.550 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -7.264 11.420 -0.780 1.00 0.00 H new ATOM 169 N MET A 12 -4.078 11.899 -0.879 1.00 0.00 N ATOM 170 CA MET A 12 -2.856 12.165 -0.133 1.00 0.00 C ATOM 171 C MET A 12 -2.500 13.640 -0.298 1.00 0.00 C ATOM 172 O MET A 12 -2.312 14.114 -1.417 1.00 0.00 O ATOM 173 CB MET A 12 -1.707 11.265 -0.606 1.00 0.00 C ATOM 174 CG MET A 12 -1.983 9.791 -0.293 1.00 0.00 C ATOM 175 SD MET A 12 -0.521 8.717 -0.267 1.00 0.00 S ATOM 176 CE MET A 12 -0.062 8.711 -2.013 1.00 0.00 C ATOM 0 H MET A 12 -3.922 11.455 -1.784 1.00 0.00 H new ATOM 0 HA MET A 12 -3.018 11.941 0.921 1.00 0.00 H new ATOM 0 HB2 MET A 12 -1.564 11.390 -1.679 1.00 0.00 H new ATOM 0 HB3 MET A 12 -0.780 11.573 -0.123 1.00 0.00 H new ATOM 0 HG2 MET A 12 -2.476 9.729 0.677 1.00 0.00 H new ATOM 0 HG3 MET A 12 -2.684 9.405 -1.033 1.00 0.00 H new ATOM 0 HE1 MET A 12 0.853 8.134 -2.147 1.00 0.00 H new ATOM 0 HE2 MET A 12 -0.864 8.260 -2.598 1.00 0.00 H new ATOM 0 HE3 MET A 12 0.102 9.735 -2.350 1.00 0.00 H new ATOM 186 N THR A 13 -2.426 14.360 0.825 1.00 0.00 N ATOM 187 CA THR A 13 -2.236 15.800 0.858 1.00 0.00 C ATOM 188 C THR A 13 -0.754 16.159 0.758 1.00 0.00 C ATOM 189 O THR A 13 -0.406 17.126 0.082 1.00 0.00 O ATOM 190 CB THR A 13 -2.854 16.364 2.147 1.00 0.00 C ATOM 191 OG1 THR A 13 -2.306 15.725 3.284 1.00 0.00 O ATOM 192 CG2 THR A 13 -4.374 16.173 2.159 1.00 0.00 C ATOM 0 H THR A 13 -2.499 13.942 1.753 1.00 0.00 H new ATOM 0 HA THR A 13 -2.736 16.246 -0.002 1.00 0.00 H new ATOM 0 HB THR A 13 -2.625 17.429 2.178 1.00 0.00 H new ATOM 0 HG1 THR A 13 -2.710 16.098 4.095 1.00 0.00 H new ATOM 0 HG21 THR A 13 -4.785 16.581 3.082 1.00 0.00 H new ATOM 0 HG22 THR A 13 -4.813 16.692 1.306 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.608 15.110 2.097 1.00 0.00 H new ATOM 200 N CYS A 14 0.115 15.397 1.436 1.00 0.00 N ATOM 201 CA CYS A 14 1.541 15.703 1.515 1.00 0.00 C ATOM 202 C CYS A 14 2.336 14.445 1.883 1.00 0.00 C ATOM 203 O CYS A 14 1.762 13.373 2.075 1.00 0.00 O ATOM 204 CB CYS A 14 1.772 16.837 2.529 1.00 0.00 C ATOM 205 SG CYS A 14 1.548 16.287 4.233 1.00 0.00 S ATOM 0 H CYS A 14 -0.155 14.554 1.943 1.00 0.00 H new ATOM 0 HA CYS A 14 1.895 16.041 0.541 1.00 0.00 H new ATOM 0 HB2 CYS A 14 2.781 17.231 2.406 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.082 17.655 2.320 1.00 0.00 H new ATOM 0 HG CYS A 14 1.757 17.283 5.042 1.00 0.00 H new ATOM 210 N ASN A 15 3.664 14.588 1.984 1.00 0.00 N ATOM 211 CA ASN A 15 4.601 13.502 2.256 1.00 0.00 C ATOM 212 C ASN A 15 4.329 12.785 3.585 1.00 0.00 C ATOM 213 O ASN A 15 4.675 11.615 3.724 1.00 0.00 O ATOM 214 CB ASN A 15 6.034 14.044 2.211 1.00 0.00 C ATOM 215 CG ASN A 15 7.069 12.938 2.410 1.00 0.00 C ATOM 216 OD1 ASN A 15 7.752 12.899 3.430 1.00 0.00 O ATOM 217 ND2 ASN A 15 7.188 12.033 1.436 1.00 0.00 N ATOM 0 H ASN A 15 4.125 15.491 1.875 1.00 0.00 H new ATOM 0 HA ASN A 15 4.463 12.750 1.479 1.00 0.00 H new ATOM 0 HB2 ASN A 15 6.207 14.534 1.253 1.00 0.00 H new ATOM 0 HB3 ASN A 15 6.160 14.802 2.984 1.00 0.00 H new ATOM 0 HD21 ASN A 15 7.865 11.275 1.524 1.00 0.00 H new ATOM 0 HD22 ASN A 15 6.602 12.100 0.604 1.00 0.00 H new ATOM 224 N SER A 16 3.709 13.461 4.560 1.00 0.00 N ATOM 225 CA SER A 16 3.299 12.844 5.816 1.00 0.00 C ATOM 226 C SER A 16 2.443 11.599 5.568 1.00 0.00 C ATOM 227 O SER A 16 2.625 10.590 6.246 1.00 0.00 O ATOM 228 CB SER A 16 2.541 13.858 6.677 1.00 0.00 C ATOM 229 OG SER A 16 3.320 15.024 6.847 1.00 0.00 O ATOM 0 H SER A 16 3.480 14.453 4.495 1.00 0.00 H new ATOM 0 HA SER A 16 4.195 12.528 6.350 1.00 0.00 H new ATOM 0 HB2 SER A 16 1.591 14.111 6.205 1.00 0.00 H new ATOM 0 HB3 SER A 16 2.308 13.421 7.648 1.00 0.00 H new ATOM 0 HG SER A 16 3.046 15.699 6.192 1.00 0.00 H new ATOM 235 N CYS A 17 1.526 11.667 4.591 1.00 0.00 N ATOM 236 CA CYS A 17 0.673 10.547 4.212 1.00 0.00 C ATOM 237 C CYS A 17 1.518 9.394 3.670 1.00 0.00 C ATOM 238 O CYS A 17 1.340 8.252 4.084 1.00 0.00 O ATOM 239 CB CYS A 17 -0.347 10.980 3.157 1.00 0.00 C ATOM 240 SG CYS A 17 -1.429 12.354 3.618 1.00 0.00 S ATOM 0 H CYS A 17 1.360 12.510 4.042 1.00 0.00 H new ATOM 0 HA CYS A 17 0.139 10.210 5.101 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.192 11.256 2.251 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -0.970 10.121 2.908 1.00 0.00 H new ATOM 0 HG CYS A 17 -2.534 11.887 4.119 1.00 0.00 H new ATOM 245 N VAL A 18 2.437 9.704 2.747 1.00 0.00 N ATOM 246 CA VAL A 18 3.344 8.741 2.133 1.00 0.00 C ATOM 247 C VAL A 18 4.105 7.977 3.220 1.00 0.00 C ATOM 248 O VAL A 18 4.117 6.747 3.222 1.00 0.00 O ATOM 249 CB VAL A 18 4.302 9.472 1.171 1.00 0.00 C ATOM 250 CG1 VAL A 18 5.330 8.534 0.530 1.00 0.00 C ATOM 251 CG2 VAL A 18 3.528 10.161 0.043 1.00 0.00 C ATOM 0 H VAL A 18 2.569 10.655 2.402 1.00 0.00 H new ATOM 0 HA VAL A 18 2.776 8.014 1.553 1.00 0.00 H new ATOM 0 HB VAL A 18 4.827 10.205 1.783 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.977 9.104 -0.137 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.933 8.068 1.309 1.00 0.00 H new ATOM 0 HG13 VAL A 18 4.813 7.762 -0.039 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.228 10.669 -0.621 1.00 0.00 H new ATOM 0 HG22 VAL A 18 2.968 9.416 -0.522 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.837 10.889 0.468 1.00 0.00 H new ATOM 261 N GLN A 19 4.730 8.717 4.142 1.00 0.00 N ATOM 262 CA GLN A 19 5.539 8.163 5.213 1.00 0.00 C ATOM 263 C GLN A 19 4.696 7.321 6.174 1.00 0.00 C ATOM 264 O GLN A 19 5.106 6.217 6.530 1.00 0.00 O ATOM 265 CB GLN A 19 6.269 9.302 5.940 1.00 0.00 C ATOM 266 CG GLN A 19 7.179 8.818 7.079 1.00 0.00 C ATOM 267 CD GLN A 19 8.267 7.857 6.599 1.00 0.00 C ATOM 268 OE1 GLN A 19 9.359 8.284 6.235 1.00 0.00 O ATOM 269 NE2 GLN A 19 7.974 6.554 6.603 1.00 0.00 N ATOM 0 H GLN A 19 4.682 9.736 4.158 1.00 0.00 H new ATOM 0 HA GLN A 19 6.282 7.490 4.786 1.00 0.00 H new ATOM 0 HB2 GLN A 19 6.868 9.858 5.219 1.00 0.00 H new ATOM 0 HB3 GLN A 19 5.532 9.996 6.344 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.646 9.680 7.556 1.00 0.00 H new ATOM 0 HG3 GLN A 19 6.572 8.323 7.838 1.00 0.00 H new ATOM 0 HE21 GLN A 19 7.055 6.239 6.913 1.00 0.00 H new ATOM 0 HE22 GLN A 19 8.670 5.874 6.296 1.00 0.00 H new ATOM 278 N SER A 20 3.531 7.827 6.600 1.00 0.00 N ATOM 279 CA SER A 20 2.668 7.109 7.529 1.00 0.00 C ATOM 280 C SER A 20 2.206 5.784 6.920 1.00 0.00 C ATOM 281 O SER A 20 2.289 4.750 7.578 1.00 0.00 O ATOM 282 CB SER A 20 1.493 7.985 7.979 1.00 0.00 C ATOM 283 OG SER A 20 0.679 8.381 6.896 1.00 0.00 O ATOM 0 H SER A 20 3.169 8.736 6.311 1.00 0.00 H new ATOM 0 HA SER A 20 3.242 6.870 8.424 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.890 7.437 8.703 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.875 8.870 8.487 1.00 0.00 H new ATOM 0 HG SER A 20 1.200 8.348 6.066 1.00 0.00 H new ATOM 289 N ILE A 21 1.738 5.813 5.666 1.00 0.00 N ATOM 290 CA ILE A 21 1.325 4.622 4.937 1.00 0.00 C ATOM 291 C ILE A 21 2.478 3.621 4.895 1.00 0.00 C ATOM 292 O ILE A 21 2.303 2.478 5.309 1.00 0.00 O ATOM 293 CB ILE A 21 0.831 5.003 3.529 1.00 0.00 C ATOM 294 CG1 ILE A 21 -0.539 5.698 3.638 1.00 0.00 C ATOM 295 CG2 ILE A 21 0.727 3.755 2.640 1.00 0.00 C ATOM 296 CD1 ILE A 21 -0.903 6.448 2.354 1.00 0.00 C ATOM 0 H ILE A 21 1.637 6.675 5.130 1.00 0.00 H new ATOM 0 HA ILE A 21 0.490 4.145 5.450 1.00 0.00 H new ATOM 0 HB ILE A 21 1.546 5.687 3.073 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -1.307 4.955 3.854 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.526 6.396 4.475 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.376 4.043 1.649 1.00 0.00 H new ATOM 0 HG22 ILE A 21 1.707 3.285 2.556 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.024 3.050 3.083 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.876 6.924 2.474 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.150 7.209 2.151 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.942 5.746 1.521 1.00 0.00 H new ATOM 308 N GLU A 22 3.646 4.056 4.406 1.00 0.00 N ATOM 309 CA GLU A 22 4.837 3.228 4.288 1.00 0.00 C ATOM 310 C GLU A 22 5.118 2.512 5.615 1.00 0.00 C ATOM 311 O GLU A 22 5.157 1.283 5.659 1.00 0.00 O ATOM 312 CB GLU A 22 6.002 4.111 3.809 1.00 0.00 C ATOM 313 CG GLU A 22 7.289 3.337 3.499 1.00 0.00 C ATOM 314 CD GLU A 22 8.035 2.892 4.755 1.00 0.00 C ATOM 315 OE1 GLU A 22 8.415 3.787 5.541 1.00 0.00 O ATOM 316 OE2 GLU A 22 8.213 1.665 4.908 1.00 0.00 O ATOM 0 H GLU A 22 3.785 5.012 4.077 1.00 0.00 H new ATOM 0 HA GLU A 22 4.695 2.440 3.548 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.691 4.650 2.914 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.215 4.858 4.573 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.044 2.461 2.899 1.00 0.00 H new ATOM 0 HG3 GLU A 22 7.946 3.963 2.895 1.00 0.00 H new ATOM 323 N GLY A 23 5.290 3.289 6.690 1.00 0.00 N ATOM 324 CA GLY A 23 5.606 2.790 8.018 1.00 0.00 C ATOM 325 C GLY A 23 4.578 1.778 8.525 1.00 0.00 C ATOM 326 O GLY A 23 4.951 0.681 8.933 1.00 0.00 O ATOM 0 H GLY A 23 5.210 4.305 6.652 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.592 2.325 8.002 1.00 0.00 H new ATOM 0 HA3 GLY A 23 5.660 3.627 8.714 1.00 0.00 H new ATOM 330 N VAL A 24 3.291 2.145 8.511 1.00 0.00 N ATOM 331 CA VAL A 24 2.219 1.328 9.068 1.00 0.00 C ATOM 332 C VAL A 24 2.066 0.015 8.293 1.00 0.00 C ATOM 333 O VAL A 24 2.033 -1.051 8.905 1.00 0.00 O ATOM 334 CB VAL A 24 0.912 2.142 9.128 1.00 0.00 C ATOM 335 CG1 VAL A 24 -0.282 1.279 9.560 1.00 0.00 C ATOM 336 CG2 VAL A 24 1.043 3.288 10.143 1.00 0.00 C ATOM 0 H VAL A 24 2.967 3.025 8.109 1.00 0.00 H new ATOM 0 HA VAL A 24 2.475 1.049 10.090 1.00 0.00 H new ATOM 0 HB VAL A 24 0.739 2.526 8.123 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.183 1.892 9.589 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.420 0.466 8.848 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.093 0.865 10.551 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.112 3.854 10.175 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.251 2.877 11.131 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.859 3.947 9.845 1.00 0.00 H new ATOM 346 N ILE A 25 1.972 0.079 6.958 1.00 0.00 N ATOM 347 CA ILE A 25 1.758 -1.103 6.128 1.00 0.00 C ATOM 348 C ILE A 25 2.930 -2.089 6.257 1.00 0.00 C ATOM 349 O ILE A 25 2.701 -3.295 6.199 1.00 0.00 O ATOM 350 CB ILE A 25 1.403 -0.714 4.676 1.00 0.00 C ATOM 351 CG1 ILE A 25 -0.098 -0.389 4.522 1.00 0.00 C ATOM 352 CG2 ILE A 25 1.689 -1.855 3.690 1.00 0.00 C ATOM 353 CD1 ILE A 25 -0.648 0.675 5.475 1.00 0.00 C ATOM 0 H ILE A 25 2.042 0.949 6.430 1.00 0.00 H new ATOM 0 HA ILE A 25 0.886 -1.642 6.497 1.00 0.00 H new ATOM 0 HB ILE A 25 2.020 0.157 4.456 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -0.277 -0.061 3.498 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.666 -1.308 4.666 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.425 -1.539 2.681 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.748 -2.109 3.725 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.097 -2.729 3.963 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.710 0.824 5.280 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -0.511 0.346 6.505 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.115 1.613 5.320 1.00 0.00 H new ATOM 365 N SER A 26 4.166 -1.609 6.463 1.00 0.00 N ATOM 366 CA SER A 26 5.316 -2.484 6.701 1.00 0.00 C ATOM 367 C SER A 26 5.121 -3.457 7.874 1.00 0.00 C ATOM 368 O SER A 26 5.823 -4.464 7.936 1.00 0.00 O ATOM 369 CB SER A 26 6.591 -1.662 6.920 1.00 0.00 C ATOM 370 OG SER A 26 6.914 -0.928 5.762 1.00 0.00 O ATOM 0 H SER A 26 4.392 -0.614 6.469 1.00 0.00 H new ATOM 0 HA SER A 26 5.413 -3.090 5.800 1.00 0.00 H new ATOM 0 HB2 SER A 26 6.452 -0.982 7.761 1.00 0.00 H new ATOM 0 HB3 SER A 26 7.417 -2.324 7.179 1.00 0.00 H new ATOM 0 HG SER A 26 6.321 -0.151 5.691 1.00 0.00 H new ATOM 376 N LYS A 27 4.186 -3.181 8.796 1.00 0.00 N ATOM 377 CA LYS A 27 3.970 -3.999 9.984 1.00 0.00 C ATOM 378 C LYS A 27 2.961 -5.129 9.735 1.00 0.00 C ATOM 379 O LYS A 27 2.834 -6.014 10.578 1.00 0.00 O ATOM 380 CB LYS A 27 3.490 -3.118 11.149 1.00 0.00 C ATOM 381 CG LYS A 27 4.336 -1.859 11.386 1.00 0.00 C ATOM 382 CD LYS A 27 5.815 -2.173 11.652 1.00 0.00 C ATOM 383 CE LYS A 27 6.633 -0.894 11.862 1.00 0.00 C ATOM 384 NZ LYS A 27 6.211 -0.154 13.063 1.00 0.00 N ATOM 0 H LYS A 27 3.559 -2.379 8.732 1.00 0.00 H new ATOM 0 HA LYS A 27 4.924 -4.461 10.238 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.459 -2.818 10.960 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.486 -3.715 12.061 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.259 -1.207 10.516 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.929 -1.308 12.234 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.900 -2.809 12.533 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.225 -2.735 10.813 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.689 -1.150 11.948 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.531 -0.252 10.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.894 0.605 13.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.270 0.259 12.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.171 -0.803 13.874 1.00 0.00 H new ATOM 398 N LYS A 28 2.247 -5.118 8.600 1.00 0.00 N ATOM 399 CA LYS A 28 1.272 -6.152 8.272 1.00 0.00 C ATOM 400 C LYS A 28 2.020 -7.438 7.889 1.00 0.00 C ATOM 401 O LYS A 28 2.887 -7.380 7.017 1.00 0.00 O ATOM 402 CB LYS A 28 0.370 -5.690 7.117 1.00 0.00 C ATOM 403 CG LYS A 28 -0.801 -4.802 7.565 1.00 0.00 C ATOM 404 CD LYS A 28 -0.377 -3.636 8.467 1.00 0.00 C ATOM 405 CE LYS A 28 -1.472 -2.571 8.569 1.00 0.00 C ATOM 406 NZ LYS A 28 -2.727 -3.117 9.115 1.00 0.00 N ATOM 0 H LYS A 28 2.333 -4.391 7.889 1.00 0.00 H new ATOM 0 HA LYS A 28 0.638 -6.344 9.138 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.973 -5.142 6.393 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -0.026 -6.566 6.604 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.303 -4.404 6.683 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.529 -5.415 8.096 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.142 -4.013 9.462 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.534 -3.185 8.074 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.126 -1.755 9.204 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.660 -2.149 7.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.395 -2.340 9.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.143 -3.781 8.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.530 -3.616 10.006 1.00 0.00 H new ATOM 420 N PRO A 29 1.707 -8.590 8.513 1.00 0.00 N ATOM 421 CA PRO A 29 2.293 -9.881 8.176 1.00 0.00 C ATOM 422 C PRO A 29 2.292 -10.151 6.671 1.00 0.00 C ATOM 423 O PRO A 29 1.259 -10.017 6.017 1.00 0.00 O ATOM 424 CB PRO A 29 1.458 -10.922 8.926 1.00 0.00 C ATOM 425 CG PRO A 29 1.009 -10.156 10.166 1.00 0.00 C ATOM 426 CD PRO A 29 0.777 -8.746 9.623 1.00 0.00 C ATOM 0 HA PRO A 29 3.343 -9.913 8.467 1.00 0.00 H new ATOM 0 HB2 PRO A 29 0.611 -11.266 8.333 1.00 0.00 H new ATOM 0 HB3 PRO A 29 2.045 -11.803 9.184 1.00 0.00 H new ATOM 0 HG2 PRO A 29 0.101 -10.579 10.597 1.00 0.00 H new ATOM 0 HG3 PRO A 29 1.769 -10.169 10.948 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -0.253 -8.620 9.291 1.00 0.00 H new ATOM 0 HD3 PRO A 29 0.958 -7.996 10.393 1.00 0.00 H new ATOM 434 N GLY A 30 3.458 -10.523 6.131 1.00 0.00 N ATOM 435 CA GLY A 30 3.634 -10.833 4.723 1.00 0.00 C ATOM 436 C GLY A 30 4.362 -9.730 3.966 1.00 0.00 C ATOM 437 O GLY A 30 5.090 -10.043 3.027 1.00 0.00 O ATOM 0 H GLY A 30 4.315 -10.616 6.676 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.193 -11.764 4.627 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.658 -10.998 4.267 1.00 0.00 H new ATOM 441 N VAL A 31 4.166 -8.460 4.352 1.00 0.00 N ATOM 442 CA VAL A 31 4.743 -7.318 3.653 1.00 0.00 C ATOM 443 C VAL A 31 6.270 -7.335 3.761 1.00 0.00 C ATOM 444 O VAL A 31 6.816 -7.605 4.830 1.00 0.00 O ATOM 445 CB VAL A 31 4.142 -6.001 4.175 1.00 0.00 C ATOM 446 CG1 VAL A 31 4.784 -4.791 3.480 1.00 0.00 C ATOM 447 CG2 VAL A 31 2.632 -5.974 3.905 1.00 0.00 C ATOM 0 H VAL A 31 3.600 -8.203 5.161 1.00 0.00 H new ATOM 0 HA VAL A 31 4.492 -7.391 2.595 1.00 0.00 H new ATOM 0 HB VAL A 31 4.336 -5.945 5.246 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.342 -3.873 3.866 1.00 0.00 H new ATOM 0 HG12 VAL A 31 5.857 -4.787 3.674 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.610 -4.854 2.406 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.213 -5.039 4.277 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.453 -6.051 2.833 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.156 -6.813 4.413 1.00 0.00 H new ATOM 457 N LYS A 32 6.943 -7.047 2.639 1.00 0.00 N ATOM 458 CA LYS A 32 8.392 -6.989 2.518 1.00 0.00 C ATOM 459 C LYS A 32 8.779 -5.570 2.093 1.00 0.00 C ATOM 460 O LYS A 32 8.764 -4.667 2.927 1.00 0.00 O ATOM 461 CB LYS A 32 8.870 -8.074 1.541 1.00 0.00 C ATOM 462 CG LYS A 32 8.580 -9.471 2.101 1.00 0.00 C ATOM 463 CD LYS A 32 9.034 -10.560 1.124 1.00 0.00 C ATOM 464 CE LYS A 32 8.757 -11.958 1.691 1.00 0.00 C ATOM 465 NZ LYS A 32 7.316 -12.210 1.864 1.00 0.00 N ATOM 0 H LYS A 32 6.467 -6.841 1.761 1.00 0.00 H new ATOM 0 HA LYS A 32 8.886 -7.196 3.468 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.371 -7.951 0.580 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.939 -7.963 1.361 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.092 -9.597 3.055 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.512 -9.574 2.296 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.515 -10.440 0.173 1.00 0.00 H new ATOM 0 HD3 LYS A 32 10.099 -10.450 0.921 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.178 -12.710 1.023 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.261 -12.066 2.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.161 -13.221 2.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.959 -11.650 2.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 6.809 -11.937 0.998 1.00 0.00 H new ATOM 479 N SER A 33 9.117 -5.361 0.813 1.00 0.00 N ATOM 480 CA SER A 33 9.442 -4.039 0.293 1.00 0.00 C ATOM 481 C SER A 33 8.159 -3.263 -0.012 1.00 0.00 C ATOM 482 O SER A 33 7.119 -3.854 -0.304 1.00 0.00 O ATOM 483 CB SER A 33 10.351 -4.150 -0.937 1.00 0.00 C ATOM 484 OG SER A 33 9.726 -4.867 -1.979 1.00 0.00 O ATOM 0 H SER A 33 9.171 -6.105 0.117 1.00 0.00 H new ATOM 0 HA SER A 33 9.993 -3.483 1.051 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.614 -3.152 -1.288 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.281 -4.646 -0.660 1.00 0.00 H new ATOM 0 HG SER A 33 9.808 -5.829 -1.809 1.00 0.00 H new ATOM 490 N ILE A 34 8.241 -1.932 0.070 1.00 0.00 N ATOM 491 CA ILE A 34 7.122 -1.028 -0.146 1.00 0.00 C ATOM 492 C ILE A 34 7.653 0.298 -0.699 1.00 0.00 C ATOM 493 O ILE A 34 8.699 0.777 -0.262 1.00 0.00 O ATOM 494 CB ILE A 34 6.296 -0.877 1.146 1.00 0.00 C ATOM 495 CG1 ILE A 34 5.219 0.203 0.967 1.00 0.00 C ATOM 496 CG2 ILE A 34 7.179 -0.564 2.364 1.00 0.00 C ATOM 497 CD1 ILE A 34 4.055 0.047 1.947 1.00 0.00 C ATOM 0 H ILE A 34 9.110 -1.448 0.294 1.00 0.00 H new ATOM 0 HA ILE A 34 6.434 -1.434 -0.888 1.00 0.00 H new ATOM 0 HB ILE A 34 5.812 -1.834 1.338 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.671 1.186 1.100 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.837 0.163 -0.053 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.554 -0.466 3.251 1.00 0.00 H new ATOM 0 HG22 ILE A 34 7.895 -1.373 2.512 1.00 0.00 H new ATOM 0 HG23 ILE A 34 7.716 0.369 2.194 1.00 0.00 H new ATOM 0 HD11 ILE A 34 3.325 0.838 1.774 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.581 -0.923 1.798 1.00 0.00 H new ATOM 0 HD13 ILE A 34 4.428 0.115 2.969 1.00 0.00 H new ATOM 509 N ARG A 35 6.937 0.864 -1.679 1.00 0.00 N ATOM 510 CA ARG A 35 7.334 2.034 -2.446 1.00 0.00 C ATOM 511 C ARG A 35 6.094 2.917 -2.625 1.00 0.00 C ATOM 512 O ARG A 35 5.243 2.623 -3.464 1.00 0.00 O ATOM 513 CB ARG A 35 7.942 1.626 -3.807 1.00 0.00 C ATOM 514 CG ARG A 35 8.839 0.375 -3.791 1.00 0.00 C ATOM 515 CD ARG A 35 8.030 -0.910 -4.038 1.00 0.00 C ATOM 516 NE ARG A 35 8.848 -2.120 -3.889 1.00 0.00 N ATOM 517 CZ ARG A 35 9.612 -2.668 -4.849 1.00 0.00 C ATOM 518 NH1 ARG A 35 9.756 -2.077 -6.044 1.00 0.00 N ATOM 519 NH2 ARG A 35 10.239 -3.827 -4.608 1.00 0.00 N ATOM 0 H ARG A 35 6.029 0.498 -1.965 1.00 0.00 H new ATOM 0 HA ARG A 35 8.109 2.588 -1.917 1.00 0.00 H new ATOM 0 HB2 ARG A 35 7.128 1.457 -4.512 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.526 2.464 -4.189 1.00 0.00 H new ATOM 0 HG2 ARG A 35 9.611 0.471 -4.555 1.00 0.00 H new ATOM 0 HG3 ARG A 35 9.348 0.305 -2.830 1.00 0.00 H new ATOM 0 HD2 ARG A 35 7.194 -0.951 -3.339 1.00 0.00 H new ATOM 0 HD3 ARG A 35 7.605 -0.882 -5.042 1.00 0.00 H new ATOM 0 HE ARG A 35 8.835 -2.584 -2.981 1.00 0.00 H new ATOM 0 HH11 ARG A 35 9.281 -1.195 -6.237 1.00 0.00 H new ATOM 0 HH12 ARG A 35 10.341 -2.509 -6.760 1.00 0.00 H new ATOM 0 HH21 ARG A 35 10.134 -4.285 -3.703 1.00 0.00 H new ATOM 0 HH22 ARG A 35 10.821 -4.252 -5.330 1.00 0.00 H new ATOM 533 N VAL A 36 5.984 3.985 -1.824 1.00 0.00 N ATOM 534 CA VAL A 36 4.840 4.895 -1.809 1.00 0.00 C ATOM 535 C VAL A 36 5.275 6.247 -2.383 1.00 0.00 C ATOM 536 O VAL A 36 6.418 6.656 -2.180 1.00 0.00 O ATOM 537 CB VAL A 36 4.285 5.018 -0.375 1.00 0.00 C ATOM 538 CG1 VAL A 36 2.893 5.667 -0.364 1.00 0.00 C ATOM 539 CG2 VAL A 36 4.175 3.655 0.318 1.00 0.00 C ATOM 0 H VAL A 36 6.708 4.243 -1.153 1.00 0.00 H new ATOM 0 HA VAL A 36 4.033 4.507 -2.431 1.00 0.00 H new ATOM 0 HB VAL A 36 4.995 5.645 0.165 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.533 5.738 0.662 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.954 6.665 -0.797 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.203 5.059 -0.950 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.780 3.790 1.325 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.505 3.010 -0.251 1.00 0.00 H new ATOM 0 HG23 VAL A 36 5.161 3.195 0.374 1.00 0.00 H new ATOM 549 N SER A 37 4.379 6.934 -3.107 1.00 0.00 N ATOM 550 CA SER A 37 4.691 8.185 -3.791 1.00 0.00 C ATOM 551 C SER A 37 3.481 9.120 -3.809 1.00 0.00 C ATOM 552 O SER A 37 2.385 8.711 -4.191 1.00 0.00 O ATOM 553 CB SER A 37 5.148 7.874 -5.220 1.00 0.00 C ATOM 554 OG SER A 37 5.342 9.065 -5.958 1.00 0.00 O ATOM 0 H SER A 37 3.413 6.630 -3.231 1.00 0.00 H new ATOM 0 HA SER A 37 5.491 8.693 -3.252 1.00 0.00 H new ATOM 0 HB2 SER A 37 6.076 7.303 -5.193 1.00 0.00 H new ATOM 0 HB3 SER A 37 4.404 7.251 -5.717 1.00 0.00 H new ATOM 0 HG SER A 37 6.299 9.197 -6.121 1.00 0.00 H new ATOM 560 N LEU A 38 3.705 10.383 -3.420 1.00 0.00 N ATOM 561 CA LEU A 38 2.745 11.473 -3.535 1.00 0.00 C ATOM 562 C LEU A 38 2.573 11.847 -5.008 1.00 0.00 C ATOM 563 O LEU A 38 1.448 11.961 -5.489 1.00 0.00 O ATOM 564 CB LEU A 38 3.242 12.679 -2.720 1.00 0.00 C ATOM 565 CG LEU A 38 2.298 13.893 -2.737 1.00 0.00 C ATOM 566 CD1 LEU A 38 0.984 13.604 -2.000 1.00 0.00 C ATOM 567 CD2 LEU A 38 3.004 15.075 -2.064 1.00 0.00 C ATOM 0 H LEU A 38 4.589 10.676 -3.004 1.00 0.00 H new ATOM 0 HA LEU A 38 1.778 11.161 -3.141 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.392 12.366 -1.687 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.215 12.986 -3.105 1.00 0.00 H new ATOM 0 HG LEU A 38 2.055 14.123 -3.774 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.345 14.487 -2.035 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.474 12.768 -2.479 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.197 13.352 -0.961 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.345 15.943 -2.069 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.251 14.813 -1.035 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.919 15.310 -2.608 1.00 0.00 H new ATOM 579 N ALA A 39 3.698 12.034 -5.713 1.00 0.00 N ATOM 580 CA ALA A 39 3.744 12.433 -7.114 1.00 0.00 C ATOM 581 C ALA A 39 2.898 11.510 -7.992 1.00 0.00 C ATOM 582 O ALA A 39 2.125 11.988 -8.818 1.00 0.00 O ATOM 583 CB ALA A 39 5.199 12.455 -7.590 1.00 0.00 C ATOM 0 H ALA A 39 4.624 11.906 -5.306 1.00 0.00 H new ATOM 0 HA ALA A 39 3.320 13.433 -7.202 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.235 12.753 -8.638 1.00 0.00 H new ATOM 0 HB2 ALA A 39 5.767 13.166 -6.991 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.633 11.461 -7.481 1.00 0.00 H new ATOM 589 N ASN A 40 3.037 10.193 -7.798 1.00 0.00 N ATOM 590 CA ASN A 40 2.273 9.192 -8.535 1.00 0.00 C ATOM 591 C ASN A 40 0.955 8.858 -7.827 1.00 0.00 C ATOM 592 O ASN A 40 0.114 8.182 -8.416 1.00 0.00 O ATOM 593 CB ASN A 40 3.120 7.929 -8.726 1.00 0.00 C ATOM 594 CG ASN A 40 4.385 8.197 -9.540 1.00 0.00 C ATOM 595 OD1 ASN A 40 4.381 8.059 -10.760 1.00 0.00 O ATOM 596 ND2 ASN A 40 5.475 8.576 -8.868 1.00 0.00 N ATOM 0 H ASN A 40 3.687 9.795 -7.121 1.00 0.00 H new ATOM 0 HA ASN A 40 2.022 9.605 -9.512 1.00 0.00 H new ATOM 0 HB2 ASN A 40 3.396 7.529 -7.751 1.00 0.00 H new ATOM 0 HB3 ASN A 40 2.523 7.166 -9.226 1.00 0.00 H new ATOM 0 HD21 ASN A 40 6.344 8.762 -9.369 1.00 0.00 H new ATOM 0 HD22 ASN A 40 5.439 8.680 -7.854 1.00 0.00 H new ATOM 603 N SER A 41 0.767 9.328 -6.582 1.00 0.00 N ATOM 604 CA SER A 41 -0.430 9.125 -5.775 1.00 0.00 C ATOM 605 C SER A 41 -0.776 7.639 -5.696 1.00 0.00 C ATOM 606 O SER A 41 -1.859 7.223 -6.106 1.00 0.00 O ATOM 607 CB SER A 41 -1.585 9.983 -6.308 1.00 0.00 C ATOM 608 OG SER A 41 -1.276 11.354 -6.162 1.00 0.00 O ATOM 0 H SER A 41 1.476 9.880 -6.099 1.00 0.00 H new ATOM 0 HA SER A 41 -0.240 9.455 -4.754 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.766 9.752 -7.358 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.502 9.749 -5.768 1.00 0.00 H new ATOM 0 HG SER A 41 -0.329 11.453 -5.932 1.00 0.00 H new ATOM 614 N ASN A 42 0.163 6.837 -5.179 1.00 0.00 N ATOM 615 CA ASN A 42 0.028 5.390 -5.140 1.00 0.00 C ATOM 616 C ASN A 42 0.925 4.764 -4.075 1.00 0.00 C ATOM 617 O ASN A 42 1.795 5.424 -3.505 1.00 0.00 O ATOM 618 CB ASN A 42 0.279 4.787 -6.535 1.00 0.00 C ATOM 619 CG ASN A 42 1.718 4.924 -7.037 1.00 0.00 C ATOM 620 OD1 ASN A 42 2.577 5.503 -6.378 1.00 0.00 O ATOM 621 ND2 ASN A 42 1.985 4.376 -8.223 1.00 0.00 N ATOM 0 H ASN A 42 1.035 7.181 -4.778 1.00 0.00 H new ATOM 0 HA ASN A 42 -0.997 5.154 -4.854 1.00 0.00 H new ATOM 0 HB2 ASN A 42 0.015 3.730 -6.513 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -0.389 5.267 -7.250 1.00 0.00 H new ATOM 0 HD21 ASN A 42 2.927 4.431 -8.609 1.00 0.00 H new ATOM 0 HD22 ASN A 42 1.247 3.902 -8.744 1.00 0.00 H new ATOM 628 N GLY A 43 0.685 3.472 -3.832 1.00 0.00 N ATOM 629 CA GLY A 43 1.428 2.608 -2.939 1.00 0.00 C ATOM 630 C GLY A 43 1.634 1.269 -3.638 1.00 0.00 C ATOM 631 O GLY A 43 0.669 0.544 -3.882 1.00 0.00 O ATOM 0 H GLY A 43 -0.084 2.980 -4.287 1.00 0.00 H new ATOM 0 HA2 GLY A 43 2.388 3.057 -2.686 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.885 2.470 -2.004 1.00 0.00 H new ATOM 635 N THR A 44 2.893 0.950 -3.956 1.00 0.00 N ATOM 636 CA THR A 44 3.299 -0.326 -4.524 1.00 0.00 C ATOM 637 C THR A 44 3.857 -1.164 -3.379 1.00 0.00 C ATOM 638 O THR A 44 4.671 -0.664 -2.607 1.00 0.00 O ATOM 639 CB THR A 44 4.341 -0.099 -5.627 1.00 0.00 C ATOM 640 OG1 THR A 44 3.783 0.713 -6.640 1.00 0.00 O ATOM 641 CG2 THR A 44 4.805 -1.421 -6.248 1.00 0.00 C ATOM 0 H THR A 44 3.673 1.593 -3.819 1.00 0.00 H new ATOM 0 HA THR A 44 2.460 -0.847 -4.987 1.00 0.00 H new ATOM 0 HB THR A 44 5.205 0.389 -5.176 1.00 0.00 H new ATOM 0 HG1 THR A 44 4.448 0.860 -7.345 1.00 0.00 H new ATOM 0 HG21 THR A 44 5.542 -1.219 -7.025 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.253 -2.048 -5.477 1.00 0.00 H new ATOM 0 HG23 THR A 44 3.950 -1.938 -6.685 1.00 0.00 H new ATOM 649 N VAL A 45 3.403 -2.416 -3.252 1.00 0.00 N ATOM 650 CA VAL A 45 3.705 -3.265 -2.108 1.00 0.00 C ATOM 651 C VAL A 45 4.087 -4.663 -2.589 1.00 0.00 C ATOM 652 O VAL A 45 3.414 -5.220 -3.455 1.00 0.00 O ATOM 653 CB VAL A 45 2.488 -3.325 -1.163 1.00 0.00 C ATOM 654 CG1 VAL A 45 2.864 -4.037 0.144 1.00 0.00 C ATOM 655 CG2 VAL A 45 1.949 -1.927 -0.824 1.00 0.00 C ATOM 0 H VAL A 45 2.811 -2.867 -3.950 1.00 0.00 H new ATOM 0 HA VAL A 45 4.547 -2.846 -1.558 1.00 0.00 H new ATOM 0 HB VAL A 45 1.709 -3.878 -1.687 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.996 -4.072 0.802 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.194 -5.052 -0.077 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.670 -3.493 0.636 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.093 -2.019 -0.156 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.730 -1.345 -0.334 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.642 -1.423 -1.741 1.00 0.00 H new ATOM 665 N GLU A 46 5.158 -5.219 -2.008 1.00 0.00 N ATOM 666 CA GLU A 46 5.566 -6.609 -2.151 1.00 0.00 C ATOM 667 C GLU A 46 5.113 -7.340 -0.891 1.00 0.00 C ATOM 668 O GLU A 46 5.349 -6.849 0.212 1.00 0.00 O ATOM 669 CB GLU A 46 7.086 -6.680 -2.314 1.00 0.00 C ATOM 670 CG GLU A 46 7.586 -8.120 -2.479 1.00 0.00 C ATOM 671 CD GLU A 46 9.097 -8.150 -2.684 1.00 0.00 C ATOM 672 OE1 GLU A 46 9.804 -7.720 -1.746 1.00 0.00 O ATOM 673 OE2 GLU A 46 9.519 -8.596 -3.773 1.00 0.00 O ATOM 0 H GLU A 46 5.783 -4.686 -1.404 1.00 0.00 H new ATOM 0 HA GLU A 46 5.118 -7.071 -3.031 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.384 -6.092 -3.182 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.564 -6.229 -1.444 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.323 -8.704 -1.597 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.090 -8.586 -3.330 1.00 0.00 H new ATOM 680 N TYR A 47 4.447 -8.490 -1.051 1.00 0.00 N ATOM 681 CA TYR A 47 3.792 -9.185 0.046 1.00 0.00 C ATOM 682 C TYR A 47 3.750 -10.698 -0.178 1.00 0.00 C ATOM 683 O TYR A 47 3.904 -11.160 -1.306 1.00 0.00 O ATOM 684 CB TYR A 47 2.371 -8.634 0.207 1.00 0.00 C ATOM 685 CG TYR A 47 1.471 -8.942 -0.977 1.00 0.00 C ATOM 686 CD1 TYR A 47 1.530 -8.140 -2.131 1.00 0.00 C ATOM 687 CD2 TYR A 47 0.602 -10.049 -0.940 1.00 0.00 C ATOM 688 CE1 TYR A 47 0.813 -8.511 -3.279 1.00 0.00 C ATOM 689 CE2 TYR A 47 -0.125 -10.412 -2.087 1.00 0.00 C ATOM 690 CZ TYR A 47 -0.005 -9.650 -3.263 1.00 0.00 C ATOM 691 OH TYR A 47 -0.671 -10.010 -4.398 1.00 0.00 O ATOM 0 H TYR A 47 4.351 -8.960 -1.951 1.00 0.00 H new ATOM 0 HA TYR A 47 4.368 -9.012 0.955 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.927 -9.051 1.111 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.421 -7.554 0.346 1.00 0.00 H new ATOM 0 HD1 TYR A 47 2.126 -7.240 -2.134 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.494 -10.620 -0.030 1.00 0.00 H new ATOM 0 HE1 TYR A 47 0.891 -7.917 -4.178 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.775 -11.275 -2.065 1.00 0.00 H new ATOM 0 HH TYR A 47 -0.501 -10.956 -4.591 1.00 0.00 H new ATOM 701 N ASP A 48 3.511 -11.453 0.903 1.00 0.00 N ATOM 702 CA ASP A 48 3.235 -12.885 0.871 1.00 0.00 C ATOM 703 C ASP A 48 1.717 -13.113 0.779 1.00 0.00 C ATOM 704 O ASP A 48 1.010 -12.761 1.723 1.00 0.00 O ATOM 705 CB ASP A 48 3.795 -13.537 2.145 1.00 0.00 C ATOM 706 CG ASP A 48 3.630 -15.057 2.199 1.00 0.00 C ATOM 707 OD1 ASP A 48 3.103 -15.636 1.223 1.00 0.00 O ATOM 708 OD2 ASP A 48 4.040 -15.623 3.235 1.00 0.00 O ATOM 0 H ASP A 48 3.506 -11.068 1.848 1.00 0.00 H new ATOM 0 HA ASP A 48 3.712 -13.335 0.000 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.855 -13.295 2.227 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.300 -13.098 3.011 1.00 0.00 H new ATOM 713 N PRO A 49 1.205 -13.711 -0.316 1.00 0.00 N ATOM 714 CA PRO A 49 -0.198 -14.092 -0.474 1.00 0.00 C ATOM 715 C PRO A 49 -0.777 -14.862 0.714 1.00 0.00 C ATOM 716 O PRO A 49 -1.946 -14.690 1.052 1.00 0.00 O ATOM 717 CB PRO A 49 -0.259 -14.951 -1.737 1.00 0.00 C ATOM 718 CG PRO A 49 0.888 -14.390 -2.564 1.00 0.00 C ATOM 719 CD PRO A 49 1.946 -14.077 -1.512 1.00 0.00 C ATOM 0 HA PRO A 49 -0.805 -13.189 -0.540 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.122 -16.010 -1.516 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.216 -14.854 -2.250 1.00 0.00 H new ATOM 0 HG2 PRO A 49 1.248 -15.112 -3.297 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.590 -13.498 -3.115 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.586 -14.940 -1.329 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.594 -13.263 -1.837 1.00 0.00 H new ATOM 727 N LEU A 50 0.039 -15.722 1.334 1.00 0.00 N ATOM 728 CA LEU A 50 -0.379 -16.579 2.432 1.00 0.00 C ATOM 729 C LEU A 50 -0.780 -15.770 3.671 1.00 0.00 C ATOM 730 O LEU A 50 -1.609 -16.235 4.451 1.00 0.00 O ATOM 731 CB LEU A 50 0.747 -17.565 2.781 1.00 0.00 C ATOM 732 CG LEU A 50 1.225 -18.426 1.597 1.00 0.00 C ATOM 733 CD1 LEU A 50 2.425 -19.269 2.042 1.00 0.00 C ATOM 734 CD2 LEU A 50 0.119 -19.350 1.074 1.00 0.00 C ATOM 0 H LEU A 50 1.020 -15.838 1.078 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.260 -17.131 2.106 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.596 -17.005 3.174 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.403 -18.224 3.579 1.00 0.00 H new ATOM 0 HG LEU A 50 1.506 -17.755 0.785 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.769 -19.881 1.208 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.232 -18.611 2.366 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.129 -19.915 2.869 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.501 -19.938 0.240 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.204 -20.019 1.872 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.727 -18.751 0.738 1.00 0.00 H new ATOM 746 N LEU A 51 -0.189 -14.581 3.858 1.00 0.00 N ATOM 747 CA LEU A 51 -0.348 -13.770 5.060 1.00 0.00 C ATOM 748 C LEU A 51 -1.172 -12.503 4.805 1.00 0.00 C ATOM 749 O LEU A 51 -1.831 -12.023 5.726 1.00 0.00 O ATOM 750 CB LEU A 51 1.036 -13.436 5.630 1.00 0.00 C ATOM 751 CG LEU A 51 1.856 -14.678 6.030 1.00 0.00 C ATOM 752 CD1 LEU A 51 3.258 -14.242 6.467 1.00 0.00 C ATOM 753 CD2 LEU A 51 1.199 -15.461 7.174 1.00 0.00 C ATOM 0 H LEU A 51 0.422 -14.154 3.162 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.910 -14.349 5.793 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.596 -12.864 4.890 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.915 -12.795 6.503 1.00 0.00 H new ATOM 0 HG LEU A 51 1.907 -15.332 5.160 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.840 -15.119 6.750 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.753 -13.729 5.642 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.180 -13.567 7.320 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.813 -16.327 7.421 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.109 -14.818 8.050 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.208 -15.794 6.865 1.00 0.00 H new ATOM 765 N THR A 52 -1.155 -11.957 3.580 1.00 0.00 N ATOM 766 CA THR A 52 -1.963 -10.798 3.210 1.00 0.00 C ATOM 767 C THR A 52 -2.267 -10.829 1.707 1.00 0.00 C ATOM 768 O THR A 52 -1.833 -11.741 1.009 1.00 0.00 O ATOM 769 CB THR A 52 -1.274 -9.502 3.674 1.00 0.00 C ATOM 770 OG1 THR A 52 -2.150 -8.401 3.553 1.00 0.00 O ATOM 771 CG2 THR A 52 0.004 -9.208 2.889 1.00 0.00 C ATOM 0 H THR A 52 -0.576 -12.312 2.819 1.00 0.00 H new ATOM 0 HA THR A 52 -2.926 -10.832 3.720 1.00 0.00 H new ATOM 0 HB THR A 52 -1.005 -9.653 4.719 1.00 0.00 H new ATOM 0 HG1 THR A 52 -1.695 -7.587 3.854 1.00 0.00 H new ATOM 0 HG21 THR A 52 0.451 -8.284 3.255 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.709 -10.029 3.020 1.00 0.00 H new ATOM 0 HG23 THR A 52 -0.235 -9.101 1.831 1.00 0.00 H new ATOM 779 N SER A 53 -3.026 -9.845 1.212 1.00 0.00 N ATOM 780 CA SER A 53 -3.507 -9.781 -0.163 1.00 0.00 C ATOM 781 C SER A 53 -3.669 -8.316 -0.588 1.00 0.00 C ATOM 782 O SER A 53 -3.712 -7.446 0.281 1.00 0.00 O ATOM 783 CB SER A 53 -4.845 -10.529 -0.261 1.00 0.00 C ATOM 784 OG SER A 53 -5.873 -9.800 0.379 1.00 0.00 O ATOM 0 H SER A 53 -3.328 -9.051 1.777 1.00 0.00 H new ATOM 0 HA SER A 53 -2.788 -10.253 -0.833 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.103 -10.688 -1.308 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.751 -11.514 0.197 1.00 0.00 H new ATOM 0 HG SER A 53 -6.718 -10.292 0.305 1.00 0.00 H new ATOM 790 N PRO A 54 -3.785 -8.017 -1.895 1.00 0.00 N ATOM 791 CA PRO A 54 -4.066 -6.673 -2.386 1.00 0.00 C ATOM 792 C PRO A 54 -5.319 -6.071 -1.747 1.00 0.00 C ATOM 793 O PRO A 54 -5.344 -4.881 -1.445 1.00 0.00 O ATOM 794 CB PRO A 54 -4.223 -6.804 -3.904 1.00 0.00 C ATOM 795 CG PRO A 54 -3.404 -8.051 -4.229 1.00 0.00 C ATOM 796 CD PRO A 54 -3.669 -8.937 -3.015 1.00 0.00 C ATOM 0 HA PRO A 54 -3.257 -5.992 -2.123 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -5.268 -6.921 -4.193 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -3.844 -5.925 -4.426 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -3.731 -8.522 -5.156 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -2.344 -7.824 -4.343 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -4.581 -9.519 -3.143 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -2.857 -9.647 -2.860 1.00 0.00 H new ATOM 804 N GLU A 55 -6.352 -6.897 -1.538 1.00 0.00 N ATOM 805 CA GLU A 55 -7.616 -6.493 -0.942 1.00 0.00 C ATOM 806 C GLU A 55 -7.410 -6.087 0.519 1.00 0.00 C ATOM 807 O GLU A 55 -7.931 -5.060 0.949 1.00 0.00 O ATOM 808 CB GLU A 55 -8.647 -7.628 -1.047 1.00 0.00 C ATOM 809 CG GLU A 55 -9.060 -7.959 -2.491 1.00 0.00 C ATOM 810 CD GLU A 55 -7.956 -8.622 -3.314 1.00 0.00 C ATOM 811 OE1 GLU A 55 -7.272 -9.505 -2.751 1.00 0.00 O ATOM 812 OE2 GLU A 55 -7.811 -8.233 -4.493 1.00 0.00 O ATOM 0 H GLU A 55 -6.324 -7.886 -1.787 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.998 -5.631 -1.489 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -8.236 -8.524 -0.582 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.536 -7.353 -0.479 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.928 -8.618 -2.468 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -9.370 -7.041 -2.990 1.00 0.00 H new ATOM 819 N THR A 56 -6.652 -6.887 1.279 1.00 0.00 N ATOM 820 CA THR A 56 -6.333 -6.597 2.672 1.00 0.00 C ATOM 821 C THR A 56 -5.543 -5.289 2.779 1.00 0.00 C ATOM 822 O THR A 56 -5.864 -4.439 3.608 1.00 0.00 O ATOM 823 CB THR A 56 -5.546 -7.769 3.275 1.00 0.00 C ATOM 824 OG1 THR A 56 -6.227 -8.985 3.044 1.00 0.00 O ATOM 825 CG2 THR A 56 -5.338 -7.598 4.784 1.00 0.00 C ATOM 0 H THR A 56 -6.243 -7.757 0.938 1.00 0.00 H new ATOM 0 HA THR A 56 -7.258 -6.473 3.235 1.00 0.00 H new ATOM 0 HB THR A 56 -4.571 -7.785 2.789 1.00 0.00 H new ATOM 0 HG1 THR A 56 -6.034 -9.301 2.137 1.00 0.00 H new ATOM 0 HG21 THR A 56 -4.777 -8.448 5.173 1.00 0.00 H new ATOM 0 HG22 THR A 56 -4.782 -6.680 4.973 1.00 0.00 H new ATOM 0 HG23 THR A 56 -6.307 -7.545 5.281 1.00 0.00 H new ATOM 833 N LEU A 57 -4.514 -5.134 1.937 1.00 0.00 N ATOM 834 CA LEU A 57 -3.666 -3.951 1.900 1.00 0.00 C ATOM 835 C LEU A 57 -4.499 -2.708 1.580 1.00 0.00 C ATOM 836 O LEU A 57 -4.418 -1.718 2.302 1.00 0.00 O ATOM 837 CB LEU A 57 -2.535 -4.155 0.882 1.00 0.00 C ATOM 838 CG LEU A 57 -1.529 -5.237 1.317 1.00 0.00 C ATOM 839 CD1 LEU A 57 -0.670 -5.652 0.117 1.00 0.00 C ATOM 840 CD2 LEU A 57 -0.616 -4.740 2.444 1.00 0.00 C ATOM 0 H LEU A 57 -4.248 -5.843 1.253 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.214 -3.797 2.880 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.965 -4.431 -0.081 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.008 -3.212 0.738 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.096 -6.090 1.690 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.041 -6.418 0.426 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.311 -6.049 -0.670 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.128 -4.785 -0.260 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.080 -5.531 2.724 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.057 -3.869 2.102 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.221 -4.466 3.308 1.00 0.00 H new ATOM 852 N ARG A 58 -5.317 -2.767 0.522 1.00 0.00 N ATOM 853 CA ARG A 58 -6.277 -1.725 0.178 1.00 0.00 C ATOM 854 C ARG A 58 -7.152 -1.387 1.388 1.00 0.00 C ATOM 855 O ARG A 58 -7.361 -0.214 1.684 1.00 0.00 O ATOM 856 CB ARG A 58 -7.125 -2.191 -1.012 1.00 0.00 C ATOM 857 CG ARG A 58 -8.187 -1.158 -1.412 1.00 0.00 C ATOM 858 CD ARG A 58 -8.969 -1.603 -2.652 1.00 0.00 C ATOM 859 NE ARG A 58 -9.508 -2.962 -2.508 1.00 0.00 N ATOM 860 CZ ARG A 58 -10.524 -3.316 -1.703 1.00 0.00 C ATOM 861 NH1 ARG A 58 -11.193 -2.401 -0.988 1.00 0.00 N ATOM 862 NH2 ARG A 58 -10.873 -4.606 -1.614 1.00 0.00 N ATOM 0 H ARG A 58 -5.326 -3.555 -0.126 1.00 0.00 H new ATOM 0 HA ARG A 58 -5.746 -0.817 -0.107 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -6.474 -2.388 -1.864 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -7.614 -3.132 -0.760 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -8.877 -1.005 -0.582 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -7.707 -0.199 -1.609 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -9.788 -0.906 -2.833 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -8.317 -1.563 -3.525 1.00 0.00 H new ATOM 0 HE ARG A 58 -9.075 -3.698 -3.066 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -10.934 -1.416 -1.049 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -11.962 -2.689 -0.382 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -10.369 -5.309 -2.154 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -11.643 -4.885 -1.006 1.00 0.00 H new ATOM 876 N GLY A 59 -7.646 -2.416 2.087 1.00 0.00 N ATOM 877 CA GLY A 59 -8.415 -2.285 3.314 1.00 0.00 C ATOM 878 C GLY A 59 -7.685 -1.448 4.366 1.00 0.00 C ATOM 879 O GLY A 59 -8.296 -0.578 4.983 1.00 0.00 O ATOM 0 H GLY A 59 -7.514 -3.386 1.800 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.378 -1.825 3.090 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.621 -3.276 3.719 1.00 0.00 H new ATOM 883 N ALA A 60 -6.385 -1.699 4.571 1.00 0.00 N ATOM 884 CA ALA A 60 -5.572 -0.954 5.525 1.00 0.00 C ATOM 885 C ALA A 60 -5.496 0.529 5.151 1.00 0.00 C ATOM 886 O ALA A 60 -5.709 1.386 6.005 1.00 0.00 O ATOM 887 CB ALA A 60 -4.176 -1.574 5.639 1.00 0.00 C ATOM 0 H ALA A 60 -5.872 -2.428 4.075 1.00 0.00 H new ATOM 0 HA ALA A 60 -6.050 -1.017 6.502 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.583 -1.005 6.355 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.263 -2.606 5.978 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.688 -1.552 4.665 1.00 0.00 H new ATOM 893 N ILE A 61 -5.208 0.838 3.880 1.00 0.00 N ATOM 894 CA ILE A 61 -5.159 2.215 3.395 1.00 0.00 C ATOM 895 C ILE A 61 -6.516 2.903 3.594 1.00 0.00 C ATOM 896 O ILE A 61 -6.580 4.042 4.054 1.00 0.00 O ATOM 897 CB ILE A 61 -4.753 2.252 1.910 1.00 0.00 C ATOM 898 CG1 ILE A 61 -3.426 1.545 1.588 1.00 0.00 C ATOM 899 CG2 ILE A 61 -4.699 3.706 1.428 1.00 0.00 C ATOM 900 CD1 ILE A 61 -2.210 2.148 2.286 1.00 0.00 C ATOM 0 H ILE A 61 -5.004 0.140 3.165 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.408 2.755 3.972 1.00 0.00 H new ATOM 0 HB ILE A 61 -5.520 1.690 1.377 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.509 0.495 1.870 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.264 1.574 0.511 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.412 3.730 0.377 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.680 4.165 1.547 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -3.967 4.258 2.017 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.316 1.591 2.005 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.098 3.190 1.986 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.347 2.094 3.366 1.00 0.00 H new ATOM 912 N GLU A 62 -7.598 2.205 3.236 1.00 0.00 N ATOM 913 CA GLU A 62 -8.963 2.690 3.361 1.00 0.00 C ATOM 914 C GLU A 62 -9.291 3.003 4.825 1.00 0.00 C ATOM 915 O GLU A 62 -9.911 4.026 5.108 1.00 0.00 O ATOM 916 CB GLU A 62 -9.909 1.648 2.750 1.00 0.00 C ATOM 917 CG GLU A 62 -11.344 2.163 2.613 1.00 0.00 C ATOM 918 CD GLU A 62 -12.211 1.135 1.890 1.00 0.00 C ATOM 919 OE1 GLU A 62 -12.120 1.089 0.644 1.00 0.00 O ATOM 920 OE2 GLU A 62 -12.944 0.410 2.596 1.00 0.00 O ATOM 0 H GLU A 62 -7.541 1.266 2.843 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.088 3.626 2.816 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.536 1.356 1.768 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -9.906 0.752 3.371 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.759 2.369 3.600 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.349 3.104 2.063 1.00 0.00 H new ATOM 927 N ASP A 63 -8.858 2.134 5.748 1.00 0.00 N ATOM 928 CA ASP A 63 -9.019 2.324 7.183 1.00 0.00 C ATOM 929 C ASP A 63 -8.270 3.572 7.661 1.00 0.00 C ATOM 930 O ASP A 63 -8.826 4.350 8.435 1.00 0.00 O ATOM 931 CB ASP A 63 -8.557 1.067 7.930 1.00 0.00 C ATOM 932 CG ASP A 63 -8.731 1.216 9.439 1.00 0.00 C ATOM 933 OD1 ASP A 63 -9.879 1.039 9.899 1.00 0.00 O ATOM 934 OD2 ASP A 63 -7.713 1.506 10.105 1.00 0.00 O ATOM 0 H ASP A 63 -8.379 1.266 5.507 1.00 0.00 H new ATOM 0 HA ASP A 63 -10.075 2.483 7.401 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.126 0.205 7.581 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -7.509 0.871 7.701 1.00 0.00 H new ATOM 939 N MET A 64 -7.025 3.772 7.203 1.00 0.00 N ATOM 940 CA MET A 64 -6.254 4.974 7.510 1.00 0.00 C ATOM 941 C MET A 64 -6.990 6.229 7.027 1.00 0.00 C ATOM 942 O MET A 64 -7.026 7.225 7.749 1.00 0.00 O ATOM 943 CB MET A 64 -4.839 4.890 6.922 1.00 0.00 C ATOM 944 CG MET A 64 -3.985 3.855 7.663 1.00 0.00 C ATOM 945 SD MET A 64 -2.294 3.665 7.035 1.00 0.00 S ATOM 946 CE MET A 64 -1.578 5.231 7.594 1.00 0.00 C ATOM 0 H MET A 64 -6.531 3.104 6.612 1.00 0.00 H new ATOM 0 HA MET A 64 -6.152 5.044 8.593 1.00 0.00 H new ATOM 0 HB2 MET A 64 -4.897 4.627 5.866 1.00 0.00 H new ATOM 0 HB3 MET A 64 -4.361 5.868 6.981 1.00 0.00 H new ATOM 0 HG2 MET A 64 -3.936 4.133 8.716 1.00 0.00 H new ATOM 0 HG3 MET A 64 -4.486 2.889 7.611 1.00 0.00 H new ATOM 0 HE1 MET A 64 -0.494 5.135 7.652 1.00 0.00 H new ATOM 0 HE2 MET A 64 -1.836 6.021 6.889 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.973 5.481 8.579 1.00 0.00 H new ATOM 956 N GLY A 65 -7.587 6.173 5.829 1.00 0.00 N ATOM 957 CA GLY A 65 -8.500 7.193 5.329 1.00 0.00 C ATOM 958 C GLY A 65 -8.003 7.822 4.033 1.00 0.00 C ATOM 959 O GLY A 65 -7.777 9.030 3.984 1.00 0.00 O ATOM 0 H GLY A 65 -7.443 5.404 5.175 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.482 6.750 5.163 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -8.624 7.969 6.084 1.00 0.00 H new ATOM 963 N PHE A 66 -7.856 7.006 2.982 1.00 0.00 N ATOM 964 CA PHE A 66 -7.583 7.466 1.626 1.00 0.00 C ATOM 965 C PHE A 66 -8.386 6.618 0.642 1.00 0.00 C ATOM 966 O PHE A 66 -8.728 5.476 0.947 1.00 0.00 O ATOM 967 CB PHE A 66 -6.086 7.372 1.315 1.00 0.00 C ATOM 968 CG PHE A 66 -5.186 8.085 2.301 1.00 0.00 C ATOM 969 CD1 PHE A 66 -4.930 9.459 2.150 1.00 0.00 C ATOM 970 CD2 PHE A 66 -4.612 7.378 3.374 1.00 0.00 C ATOM 971 CE1 PHE A 66 -4.094 10.124 3.062 1.00 0.00 C ATOM 972 CE2 PHE A 66 -3.776 8.043 4.286 1.00 0.00 C ATOM 973 CZ PHE A 66 -3.521 9.417 4.133 1.00 0.00 C ATOM 0 H PHE A 66 -7.926 5.991 3.057 1.00 0.00 H new ATOM 0 HA PHE A 66 -7.879 8.511 1.533 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -5.802 6.320 1.280 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -5.909 7.783 0.321 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.377 10.004 1.332 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.814 6.324 3.496 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.892 11.178 2.940 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -3.329 7.499 5.105 1.00 0.00 H new ATOM 0 HZ PHE A 66 -2.884 9.930 4.839 1.00 0.00 H new ATOM 983 N ASP A 67 -8.679 7.173 -0.540 1.00 0.00 N ATOM 984 CA ASP A 67 -9.400 6.463 -1.585 1.00 0.00 C ATOM 985 C ASP A 67 -8.422 5.524 -2.293 1.00 0.00 C ATOM 986 O ASP A 67 -7.706 5.936 -3.205 1.00 0.00 O ATOM 987 CB ASP A 67 -10.054 7.469 -2.539 1.00 0.00 C ATOM 988 CG ASP A 67 -10.806 6.804 -3.695 1.00 0.00 C ATOM 989 OD1 ASP A 67 -11.170 5.616 -3.549 1.00 0.00 O ATOM 990 OD2 ASP A 67 -11.013 7.504 -4.710 1.00 0.00 O ATOM 0 H ASP A 67 -8.420 8.127 -0.792 1.00 0.00 H new ATOM 0 HA ASP A 67 -10.206 5.859 -1.168 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -10.746 8.096 -1.977 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -9.286 8.127 -2.945 1.00 0.00 H new ATOM 995 N ALA A 68 -8.400 4.264 -1.844 1.00 0.00 N ATOM 996 CA ALA A 68 -7.497 3.228 -2.313 1.00 0.00 C ATOM 997 C ALA A 68 -8.215 2.328 -3.317 1.00 0.00 C ATOM 998 O ALA A 68 -9.286 1.803 -3.015 1.00 0.00 O ATOM 999 CB ALA A 68 -7.009 2.424 -1.110 1.00 0.00 C ATOM 0 H ALA A 68 -9.036 3.935 -1.118 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.640 3.675 -2.817 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -6.329 1.641 -1.447 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -6.487 3.085 -0.418 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -7.862 1.971 -0.605 1.00 0.00 H new ATOM 1005 N THR A 69 -7.625 2.156 -4.506 1.00 0.00 N ATOM 1006 CA THR A 69 -8.182 1.368 -5.598 1.00 0.00 C ATOM 1007 C THR A 69 -7.074 0.514 -6.217 1.00 0.00 C ATOM 1008 O THR A 69 -5.999 1.031 -6.518 1.00 0.00 O ATOM 1009 CB THR A 69 -8.795 2.303 -6.652 1.00 0.00 C ATOM 1010 OG1 THR A 69 -7.829 3.231 -7.104 1.00 0.00 O ATOM 1011 CG2 THR A 69 -10.003 3.071 -6.105 1.00 0.00 C ATOM 0 H THR A 69 -6.723 2.574 -4.735 1.00 0.00 H new ATOM 0 HA THR A 69 -8.967 0.713 -5.220 1.00 0.00 H new ATOM 0 HB THR A 69 -9.131 1.676 -7.478 1.00 0.00 H new ATOM 0 HG1 THR A 69 -6.945 2.809 -7.104 1.00 0.00 H new ATOM 0 HG21 THR A 69 -10.405 3.720 -6.883 1.00 0.00 H new ATOM 0 HG22 THR A 69 -10.771 2.365 -5.789 1.00 0.00 H new ATOM 0 HG23 THR A 69 -9.694 3.676 -5.252 1.00 0.00 H new ATOM 1019 N LEU A 70 -7.337 -0.785 -6.413 1.00 0.00 N ATOM 1020 CA LEU A 70 -6.386 -1.713 -7.011 1.00 0.00 C ATOM 1021 C LEU A 70 -6.080 -1.280 -8.447 1.00 0.00 C ATOM 1022 O LEU A 70 -7.000 -1.136 -9.252 1.00 0.00 O ATOM 1023 CB LEU A 70 -6.943 -3.147 -7.004 1.00 0.00 C ATOM 1024 CG LEU A 70 -7.403 -3.657 -5.629 1.00 0.00 C ATOM 1025 CD1 LEU A 70 -7.863 -5.114 -5.753 1.00 0.00 C ATOM 1026 CD2 LEU A 70 -6.295 -3.570 -4.575 1.00 0.00 C ATOM 0 H LEU A 70 -8.224 -1.218 -6.157 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.469 -1.699 -6.422 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.785 -3.197 -7.694 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -6.176 -3.821 -7.387 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.224 -3.019 -5.302 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -8.189 -5.477 -4.778 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -8.691 -5.175 -6.459 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -7.036 -5.728 -6.110 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -6.670 -3.942 -3.621 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.444 -4.174 -4.891 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.981 -2.532 -4.462 1.00 0.00 H new