USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 584 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 ASN : amide:sc= -1.11 X(o=-1.1,f=-0.71) USER MOD Set 1.2: A 58 SER OG : rot -125:sc= 0.00961 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -138:sc= 0.115 (180deg=0) USER MOD Single : A 3 MET CE :methyl -137:sc= -0.324 (180deg=-1.31!) USER MOD Single : A 4 ASN : amide:sc= -0.228 X(o=-0.23,f=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 170:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -170:sc= 1.27 (180deg=1.24) USER MOD Single : A 14 LYS NZ :NH3+ 149:sc= 1.19 (180deg=0.796) USER MOD Single : A 20 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0688) USER MOD Single : A 23 ASN : amide:sc= 0.226 X(o=0.23,f=0) USER MOD Single : A 26 ASN : amide:sc= -0.718! X(o=-0.72!,f=-0.52) USER MOD Single : A 28 TYR OH : rot -65:sc= 0.00155 USER MOD Single : A 30 HIS : no HD1:sc= -3.8! C(o=-3.8!,f=-6.9!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 0.212 K(o=0.21,f=-9.3!) USER MOD Single : A 41 LYS NZ :NH3+ -161:sc= -0.111 (180deg=-0.566) USER MOD Single : A 42 LYS NZ :NH3+ -162:sc= -0.0854 (180deg=-0.459) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.094 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 55 LYS NZ :NH3+ 173:sc=-0.00291 (180deg=-0.0628) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 72 HIS : no HE2:sc= 1.06 K(o=1.1,f=-3.2!) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.042 -2.484 0.483 1.00 0.00 N ATOM 2 CA MET A 1 -16.290 -2.941 -0.711 1.00 0.00 C ATOM 3 C MET A 1 -14.823 -2.554 -0.597 1.00 0.00 C ATOM 4 O MET A 1 -14.371 -2.143 0.474 1.00 0.00 O ATOM 5 CB MET A 1 -16.890 -2.359 -1.996 1.00 0.00 C ATOM 6 CG MET A 1 -18.225 -2.975 -2.383 1.00 0.00 C ATOM 7 SD MET A 1 -18.831 -2.372 -3.974 1.00 0.00 S ATOM 8 CE MET A 1 -20.318 -3.357 -4.158 1.00 0.00 C ATOM 0 H1 MET A 1 -17.703 -3.229 0.783 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.376 -2.280 1.255 1.00 0.00 H new ATOM 0 H3 MET A 1 -17.575 -1.622 0.249 1.00 0.00 H new ATOM 0 HA MET A 1 -16.366 -4.027 -0.759 1.00 0.00 H new ATOM 0 HB2 MET A 1 -17.019 -1.284 -1.871 1.00 0.00 H new ATOM 0 HB3 MET A 1 -16.183 -2.503 -2.813 1.00 0.00 H new ATOM 0 HG2 MET A 1 -18.123 -4.059 -2.424 1.00 0.00 H new ATOM 0 HG3 MET A 1 -18.961 -2.754 -1.610 1.00 0.00 H new ATOM 0 HE1 MET A 1 -20.810 -3.101 -5.096 1.00 0.00 H new ATOM 0 HE2 MET A 1 -20.055 -4.415 -4.162 1.00 0.00 H new ATOM 0 HE3 MET A 1 -20.994 -3.154 -3.327 1.00 0.00 H new ATOM 20 N ALA A 2 -14.090 -2.682 -1.707 1.00 0.00 N ATOM 21 CA ALA A 2 -12.644 -2.480 -1.715 1.00 0.00 C ATOM 22 C ALA A 2 -11.974 -3.506 -0.811 1.00 0.00 C ATOM 23 O ALA A 2 -12.579 -4.524 -0.466 1.00 0.00 O ATOM 24 CB ALA A 2 -12.288 -1.058 -1.290 1.00 0.00 C ATOM 0 H ALA A 2 -14.481 -2.927 -2.617 1.00 0.00 H new ATOM 0 HA ALA A 2 -12.277 -2.619 -2.732 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -11.205 -0.934 -1.305 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -12.744 -0.347 -1.979 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -12.661 -0.875 -0.282 1.00 0.00 H new ATOM 30 N MET A 3 -10.729 -3.266 -0.443 1.00 0.00 N ATOM 31 CA MET A 3 -10.037 -4.170 0.458 1.00 0.00 C ATOM 32 C MET A 3 -9.054 -3.402 1.326 1.00 0.00 C ATOM 33 O MET A 3 -8.738 -2.240 1.050 1.00 0.00 O ATOM 34 CB MET A 3 -9.321 -5.267 -0.331 1.00 0.00 C ATOM 35 CG MET A 3 -9.090 -6.548 0.452 1.00 0.00 C ATOM 36 SD MET A 3 -8.765 -7.964 -0.621 1.00 0.00 S ATOM 37 CE MET A 3 -10.307 -8.053 -1.529 1.00 0.00 C ATOM 0 H MET A 3 -10.181 -2.462 -0.750 1.00 0.00 H new ATOM 0 HA MET A 3 -10.772 -4.643 1.109 1.00 0.00 H new ATOM 0 HB2 MET A 3 -9.906 -5.499 -1.221 1.00 0.00 H new ATOM 0 HB3 MET A 3 -8.359 -4.885 -0.672 1.00 0.00 H new ATOM 0 HG2 MET A 3 -8.248 -6.409 1.130 1.00 0.00 H new ATOM 0 HG3 MET A 3 -9.965 -6.756 1.068 1.00 0.00 H new ATOM 0 HE1 MET A 3 -10.623 -9.093 -1.608 1.00 0.00 H new ATOM 0 HE2 MET A 3 -11.072 -7.480 -1.004 1.00 0.00 H new ATOM 0 HE3 MET A 3 -10.166 -7.640 -2.528 1.00 0.00 H new ATOM 47 N ASN A 4 -8.581 -4.056 2.370 1.00 0.00 N ATOM 48 CA ASN A 4 -7.707 -3.425 3.347 1.00 0.00 C ATOM 49 C ASN A 4 -6.383 -4.151 3.452 1.00 0.00 C ATOM 50 O ASN A 4 -6.309 -5.372 3.307 1.00 0.00 O ATOM 51 CB ASN A 4 -8.354 -3.405 4.732 1.00 0.00 C ATOM 52 CG ASN A 4 -9.437 -2.355 4.881 1.00 0.00 C ATOM 53 OD1 ASN A 4 -10.608 -2.598 4.589 1.00 0.00 O ATOM 54 ND2 ASN A 4 -9.056 -1.182 5.358 1.00 0.00 N ATOM 0 H ASN A 4 -8.789 -5.035 2.566 1.00 0.00 H new ATOM 0 HA ASN A 4 -7.538 -2.405 3.003 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -8.780 -4.387 4.939 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -7.583 -3.228 5.482 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -9.742 -0.440 5.496 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -8.076 -1.019 5.588 1.00 0.00 H new ATOM 61 N GLY A 5 -5.342 -3.385 3.713 1.00 0.00 N ATOM 62 CA GLY A 5 -4.040 -3.948 3.979 1.00 0.00 C ATOM 63 C GLY A 5 -3.316 -3.169 5.055 1.00 0.00 C ATOM 64 O GLY A 5 -3.689 -2.037 5.359 1.00 0.00 O ATOM 0 H GLY A 5 -5.377 -2.366 3.746 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -4.147 -4.988 4.289 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -3.447 -3.947 3.064 1.00 0.00 H new ATOM 68 N THR A 6 -2.295 -3.770 5.642 1.00 0.00 N ATOM 69 CA THR A 6 -1.477 -3.083 6.628 1.00 0.00 C ATOM 70 C THR A 6 -0.060 -2.897 6.092 1.00 0.00 C ATOM 71 O THR A 6 0.533 -3.825 5.535 1.00 0.00 O ATOM 72 CB THR A 6 -1.422 -3.851 7.956 1.00 0.00 C ATOM 73 OG1 THR A 6 -2.741 -4.272 8.336 1.00 0.00 O ATOM 74 CG2 THR A 6 -0.829 -2.983 9.056 1.00 0.00 C ATOM 0 H THR A 6 -2.012 -4.732 5.453 1.00 0.00 H new ATOM 0 HA THR A 6 -1.935 -2.112 6.816 1.00 0.00 H new ATOM 0 HB THR A 6 -0.787 -4.726 7.818 1.00 0.00 H new ATOM 0 HG1 THR A 6 -2.696 -4.763 9.183 1.00 0.00 H new ATOM 0 HG21 THR A 6 -0.799 -3.547 9.988 1.00 0.00 H new ATOM 0 HG22 THR A 6 0.183 -2.686 8.779 1.00 0.00 H new ATOM 0 HG23 THR A 6 -1.445 -2.094 9.189 1.00 0.00 H new ATOM 82 N ILE A 7 0.471 -1.701 6.268 1.00 0.00 N ATOM 83 CA ILE A 7 1.767 -1.335 5.712 1.00 0.00 C ATOM 84 C ILE A 7 2.893 -2.002 6.488 1.00 0.00 C ATOM 85 O ILE A 7 3.024 -1.802 7.700 1.00 0.00 O ATOM 86 CB ILE A 7 1.968 0.194 5.742 1.00 0.00 C ATOM 87 CG1 ILE A 7 0.785 0.892 5.068 1.00 0.00 C ATOM 88 CG2 ILE A 7 3.273 0.570 5.053 1.00 0.00 C ATOM 89 CD1 ILE A 7 0.788 2.394 5.229 1.00 0.00 C ATOM 0 H ILE A 7 0.020 -0.956 6.798 1.00 0.00 H new ATOM 0 HA ILE A 7 1.789 -1.678 4.677 1.00 0.00 H new ATOM 0 HB ILE A 7 2.021 0.522 6.780 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.791 0.650 4.005 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -0.142 0.494 5.480 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.401 1.652 5.082 1.00 0.00 H new ATOM 0 HG22 ILE A 7 4.107 0.092 5.567 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.246 0.236 4.016 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.081 2.816 4.724 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.750 2.646 6.289 1.00 0.00 H new ATOM 0 HD13 ILE A 7 1.697 2.805 4.790 1.00 0.00 H new ATOM 101 N THR A 8 3.701 -2.795 5.795 1.00 0.00 N ATOM 102 CA THR A 8 4.798 -3.491 6.432 1.00 0.00 C ATOM 103 C THR A 8 6.135 -3.033 5.863 1.00 0.00 C ATOM 104 O THR A 8 7.010 -2.569 6.595 1.00 0.00 O ATOM 105 CB THR A 8 4.648 -5.012 6.262 1.00 0.00 C ATOM 106 OG1 THR A 8 4.253 -5.322 4.918 1.00 0.00 O ATOM 107 CG2 THR A 8 3.628 -5.572 7.242 1.00 0.00 C ATOM 0 H THR A 8 3.613 -2.968 4.794 1.00 0.00 H new ATOM 0 HA THR A 8 4.773 -3.252 7.495 1.00 0.00 H new ATOM 0 HB THR A 8 5.614 -5.473 6.469 1.00 0.00 H new ATOM 0 HG1 THR A 8 4.316 -6.289 4.773 1.00 0.00 H new ATOM 0 HG21 THR A 8 3.541 -6.649 7.101 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.952 -5.365 8.262 1.00 0.00 H new ATOM 0 HG23 THR A 8 2.660 -5.104 7.066 1.00 0.00 H new ATOM 115 N THR A 9 6.279 -3.148 4.552 1.00 0.00 N ATOM 116 CA THR A 9 7.496 -2.741 3.883 1.00 0.00 C ATOM 117 C THR A 9 7.201 -1.612 2.904 1.00 0.00 C ATOM 118 O THR A 9 6.365 -1.755 2.021 1.00 0.00 O ATOM 119 CB THR A 9 8.128 -3.926 3.128 1.00 0.00 C ATOM 120 OG1 THR A 9 8.275 -5.044 4.012 1.00 0.00 O ATOM 121 CG2 THR A 9 9.488 -3.553 2.562 1.00 0.00 C ATOM 0 H THR A 9 5.562 -3.522 3.931 1.00 0.00 H new ATOM 0 HA THR A 9 8.200 -2.392 4.639 1.00 0.00 H new ATOM 0 HB THR A 9 7.467 -4.190 2.302 1.00 0.00 H new ATOM 0 HG1 THR A 9 8.676 -5.795 3.526 1.00 0.00 H new ATOM 0 HG21 THR A 9 9.910 -4.409 2.035 1.00 0.00 H new ATOM 0 HG22 THR A 9 9.377 -2.718 1.870 1.00 0.00 H new ATOM 0 HG23 THR A 9 10.154 -3.264 3.375 1.00 0.00 H new ATOM 129 N TRP A 10 7.870 -0.487 3.070 1.00 0.00 N ATOM 130 CA TRP A 10 7.675 0.644 2.179 1.00 0.00 C ATOM 131 C TRP A 10 9.001 1.327 1.890 1.00 0.00 C ATOM 132 O TRP A 10 9.634 1.885 2.786 1.00 0.00 O ATOM 133 CB TRP A 10 6.673 1.638 2.778 1.00 0.00 C ATOM 134 CG TRP A 10 6.495 2.885 1.961 1.00 0.00 C ATOM 135 CD1 TRP A 10 6.869 4.152 2.313 1.00 0.00 C ATOM 136 CD2 TRP A 10 5.910 2.989 0.657 1.00 0.00 C ATOM 137 NE1 TRP A 10 6.542 5.034 1.315 1.00 0.00 N ATOM 138 CE2 TRP A 10 5.955 4.347 0.287 1.00 0.00 C ATOM 139 CE3 TRP A 10 5.346 2.070 -0.236 1.00 0.00 C ATOM 140 CZ2 TRP A 10 5.465 4.805 -0.933 1.00 0.00 C ATOM 141 CZ3 TRP A 10 4.861 2.528 -1.447 1.00 0.00 C ATOM 142 CH2 TRP A 10 4.923 3.885 -1.785 1.00 0.00 C ATOM 0 H TRP A 10 8.552 -0.331 3.812 1.00 0.00 H new ATOM 0 HA TRP A 10 7.266 0.275 1.238 1.00 0.00 H new ATOM 0 HB2 TRP A 10 5.707 1.145 2.887 1.00 0.00 H new ATOM 0 HB3 TRP A 10 7.004 1.915 3.779 1.00 0.00 H new ATOM 0 HD1 TRP A 10 7.352 4.419 3.241 1.00 0.00 H new ATOM 0 HE1 TRP A 10 6.709 6.040 1.336 1.00 0.00 H new ATOM 0 HE3 TRP A 10 5.291 1.021 0.017 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 5.512 5.851 -1.197 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 4.427 1.827 -2.144 1.00 0.00 H new ATOM 0 HH2 TRP A 10 4.535 4.211 -2.738 1.00 0.00 H new ATOM 153 N PHE A 11 9.421 1.263 0.639 1.00 0.00 N ATOM 154 CA PHE A 11 10.625 1.939 0.209 1.00 0.00 C ATOM 155 C PHE A 11 10.268 3.342 -0.247 1.00 0.00 C ATOM 156 O PHE A 11 10.060 3.588 -1.434 1.00 0.00 O ATOM 157 CB PHE A 11 11.311 1.172 -0.927 1.00 0.00 C ATOM 158 CG PHE A 11 11.698 -0.235 -0.571 1.00 0.00 C ATOM 159 CD1 PHE A 11 12.918 -0.500 0.028 1.00 0.00 C ATOM 160 CD2 PHE A 11 10.846 -1.292 -0.844 1.00 0.00 C ATOM 161 CE1 PHE A 11 13.282 -1.795 0.344 1.00 0.00 C ATOM 162 CE2 PHE A 11 11.203 -2.588 -0.528 1.00 0.00 C ATOM 163 CZ PHE A 11 12.423 -2.840 0.068 1.00 0.00 C ATOM 0 H PHE A 11 8.941 0.746 -0.098 1.00 0.00 H new ATOM 0 HA PHE A 11 11.322 1.988 1.046 1.00 0.00 H new ATOM 0 HB2 PHE A 11 10.644 1.147 -1.789 1.00 0.00 H new ATOM 0 HB3 PHE A 11 12.204 1.717 -1.231 1.00 0.00 H new ATOM 0 HD1 PHE A 11 13.592 0.314 0.251 1.00 0.00 H new ATOM 0 HD2 PHE A 11 9.891 -1.100 -1.310 1.00 0.00 H new ATOM 0 HE1 PHE A 11 14.238 -1.990 0.807 1.00 0.00 H new ATOM 0 HE2 PHE A 11 10.529 -3.403 -0.747 1.00 0.00 H new ATOM 0 HZ PHE A 11 12.705 -3.852 0.318 1.00 0.00 H new ATOM 173 N LYS A 12 10.166 4.246 0.714 1.00 0.00 N ATOM 174 CA LYS A 12 9.782 5.625 0.452 1.00 0.00 C ATOM 175 C LYS A 12 10.819 6.289 -0.441 1.00 0.00 C ATOM 176 O LYS A 12 10.502 7.146 -1.267 1.00 0.00 O ATOM 177 CB LYS A 12 9.658 6.371 1.784 1.00 0.00 C ATOM 178 CG LYS A 12 8.820 7.637 1.728 1.00 0.00 C ATOM 179 CD LYS A 12 8.412 8.056 3.131 1.00 0.00 C ATOM 180 CE LYS A 12 7.338 9.137 3.127 1.00 0.00 C ATOM 181 NZ LYS A 12 7.886 10.471 2.778 1.00 0.00 N ATOM 0 H LYS A 12 10.347 4.045 1.698 1.00 0.00 H new ATOM 0 HA LYS A 12 8.821 5.652 -0.062 1.00 0.00 H new ATOM 0 HB2 LYS A 12 9.224 5.697 2.523 1.00 0.00 H new ATOM 0 HB3 LYS A 12 10.657 6.628 2.135 1.00 0.00 H new ATOM 0 HG2 LYS A 12 9.387 8.437 1.252 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.933 7.468 1.118 1.00 0.00 H new ATOM 0 HD2 LYS A 12 8.045 7.185 3.675 1.00 0.00 H new ATOM 0 HD3 LYS A 12 9.288 8.421 3.667 1.00 0.00 H new ATOM 0 HE2 LYS A 12 6.558 8.869 2.414 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.869 9.185 4.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.164 11.199 2.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.723 10.667 3.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 8.156 10.483 1.774 1.00 0.00 H new ATOM 195 N ASP A 13 12.058 5.871 -0.259 1.00 0.00 N ATOM 196 CA ASP A 13 13.170 6.336 -1.079 1.00 0.00 C ATOM 197 C ASP A 13 13.011 5.905 -2.538 1.00 0.00 C ATOM 198 O ASP A 13 13.251 6.691 -3.456 1.00 0.00 O ATOM 199 CB ASP A 13 14.482 5.793 -0.516 1.00 0.00 C ATOM 200 CG ASP A 13 15.669 6.084 -1.410 1.00 0.00 C ATOM 201 OD1 ASP A 13 16.157 7.232 -1.410 1.00 0.00 O ATOM 202 OD2 ASP A 13 16.130 5.158 -2.105 1.00 0.00 O ATOM 0 H ASP A 13 12.326 5.199 0.461 1.00 0.00 H new ATOM 0 HA ASP A 13 13.179 7.426 -1.053 1.00 0.00 H new ATOM 0 HB2 ASP A 13 14.658 6.229 0.467 1.00 0.00 H new ATOM 0 HB3 ASP A 13 14.394 4.716 -0.376 1.00 0.00 H new ATOM 207 N LYS A 14 12.591 4.662 -2.752 1.00 0.00 N ATOM 208 CA LYS A 14 12.477 4.122 -4.105 1.00 0.00 C ATOM 209 C LYS A 14 11.137 4.491 -4.740 1.00 0.00 C ATOM 210 O LYS A 14 11.085 4.955 -5.880 1.00 0.00 O ATOM 211 CB LYS A 14 12.654 2.598 -4.116 1.00 0.00 C ATOM 212 CG LYS A 14 14.085 2.128 -3.893 1.00 0.00 C ATOM 213 CD LYS A 14 14.507 2.240 -2.437 1.00 0.00 C ATOM 214 CE LYS A 14 15.961 1.837 -2.247 1.00 0.00 C ATOM 215 NZ LYS A 14 16.894 2.764 -2.943 1.00 0.00 N ATOM 0 H LYS A 14 12.325 4.012 -2.012 1.00 0.00 H new ATOM 0 HA LYS A 14 13.277 4.570 -4.694 1.00 0.00 H new ATOM 0 HB2 LYS A 14 12.018 2.165 -3.344 1.00 0.00 H new ATOM 0 HB3 LYS A 14 12.302 2.211 -5.072 1.00 0.00 H new ATOM 0 HG2 LYS A 14 14.180 1.092 -4.218 1.00 0.00 H new ATOM 0 HG3 LYS A 14 14.760 2.719 -4.512 1.00 0.00 H new ATOM 0 HD2 LYS A 14 14.364 3.264 -2.093 1.00 0.00 H new ATOM 0 HD3 LYS A 14 13.869 1.605 -1.822 1.00 0.00 H new ATOM 0 HE2 LYS A 14 16.196 1.819 -1.183 1.00 0.00 H new ATOM 0 HE3 LYS A 14 16.108 0.825 -2.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 17.790 2.814 -2.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 17.076 2.415 -3.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 16.469 3.712 -2.993 1.00 0.00 H new ATOM 229 N GLY A 15 10.055 4.290 -4.000 1.00 0.00 N ATOM 230 CA GLY A 15 8.741 4.614 -4.517 1.00 0.00 C ATOM 231 C GLY A 15 7.809 3.416 -4.584 1.00 0.00 C ATOM 232 O GLY A 15 6.725 3.505 -5.158 1.00 0.00 O ATOM 0 H GLY A 15 10.064 3.909 -3.054 1.00 0.00 H new ATOM 0 HA2 GLY A 15 8.290 5.382 -3.888 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.846 5.040 -5.515 1.00 0.00 H new ATOM 236 N PHE A 16 8.220 2.292 -4.011 1.00 0.00 N ATOM 237 CA PHE A 16 7.367 1.109 -3.984 1.00 0.00 C ATOM 238 C PHE A 16 7.441 0.426 -2.629 1.00 0.00 C ATOM 239 O PHE A 16 8.249 0.800 -1.782 1.00 0.00 O ATOM 240 CB PHE A 16 7.736 0.121 -5.101 1.00 0.00 C ATOM 241 CG PHE A 16 9.111 -0.480 -4.989 1.00 0.00 C ATOM 242 CD1 PHE A 16 10.213 0.171 -5.516 1.00 0.00 C ATOM 243 CD2 PHE A 16 9.294 -1.701 -4.360 1.00 0.00 C ATOM 244 CE1 PHE A 16 11.473 -0.388 -5.421 1.00 0.00 C ATOM 245 CE2 PHE A 16 10.550 -2.265 -4.263 1.00 0.00 C ATOM 246 CZ PHE A 16 11.642 -1.606 -4.791 1.00 0.00 C ATOM 0 H PHE A 16 9.129 2.174 -3.563 1.00 0.00 H new ATOM 0 HA PHE A 16 6.343 1.439 -4.156 1.00 0.00 H new ATOM 0 HB2 PHE A 16 7.003 -0.686 -5.109 1.00 0.00 H new ATOM 0 HB3 PHE A 16 7.657 0.633 -6.060 1.00 0.00 H new ATOM 0 HD1 PHE A 16 10.087 1.125 -6.006 1.00 0.00 H new ATOM 0 HD2 PHE A 16 8.443 -2.218 -3.941 1.00 0.00 H new ATOM 0 HE1 PHE A 16 12.325 0.127 -5.839 1.00 0.00 H new ATOM 0 HE2 PHE A 16 10.678 -3.220 -3.775 1.00 0.00 H new ATOM 0 HZ PHE A 16 12.627 -2.042 -4.712 1.00 0.00 H new ATOM 256 N GLY A 17 6.596 -0.569 -2.430 1.00 0.00 N ATOM 257 CA GLY A 17 6.559 -1.264 -1.160 1.00 0.00 C ATOM 258 C GLY A 17 5.630 -2.457 -1.185 1.00 0.00 C ATOM 259 O GLY A 17 5.122 -2.830 -2.242 1.00 0.00 O ATOM 0 H GLY A 17 5.933 -0.910 -3.125 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.565 -1.595 -0.900 1.00 0.00 H new ATOM 0 HA3 GLY A 17 6.239 -0.573 -0.380 1.00 0.00 H new ATOM 263 N PHE A 18 5.395 -3.045 -0.018 1.00 0.00 N ATOM 264 CA PHE A 18 4.577 -4.234 0.096 1.00 0.00 C ATOM 265 C PHE A 18 3.666 -4.085 1.302 1.00 0.00 C ATOM 266 O PHE A 18 4.121 -3.747 2.397 1.00 0.00 O ATOM 267 CB PHE A 18 5.454 -5.481 0.257 1.00 0.00 C ATOM 268 CG PHE A 18 6.474 -5.661 -0.836 1.00 0.00 C ATOM 269 CD1 PHE A 18 6.113 -6.207 -2.056 1.00 0.00 C ATOM 270 CD2 PHE A 18 7.794 -5.282 -0.641 1.00 0.00 C ATOM 271 CE1 PHE A 18 7.046 -6.370 -3.061 1.00 0.00 C ATOM 272 CE2 PHE A 18 8.733 -5.445 -1.644 1.00 0.00 C ATOM 273 CZ PHE A 18 8.357 -5.988 -2.855 1.00 0.00 C ATOM 0 H PHE A 18 5.767 -2.708 0.870 1.00 0.00 H new ATOM 0 HA PHE A 18 3.983 -4.351 -0.811 1.00 0.00 H new ATOM 0 HB2 PHE A 18 5.970 -5.428 1.216 1.00 0.00 H new ATOM 0 HB3 PHE A 18 4.812 -6.362 0.289 1.00 0.00 H new ATOM 0 HD1 PHE A 18 5.090 -6.509 -2.224 1.00 0.00 H new ATOM 0 HD2 PHE A 18 8.092 -4.855 0.305 1.00 0.00 H new ATOM 0 HE1 PHE A 18 6.750 -6.796 -4.008 1.00 0.00 H new ATOM 0 HE2 PHE A 18 9.758 -5.148 -1.479 1.00 0.00 H new ATOM 0 HZ PHE A 18 9.087 -6.114 -3.641 1.00 0.00 H new ATOM 283 N ILE A 19 2.389 -4.314 1.099 1.00 0.00 N ATOM 284 CA ILE A 19 1.409 -4.165 2.158 1.00 0.00 C ATOM 285 C ILE A 19 0.637 -5.465 2.335 1.00 0.00 C ATOM 286 O ILE A 19 0.185 -6.059 1.354 1.00 0.00 O ATOM 287 CB ILE A 19 0.449 -2.993 1.846 1.00 0.00 C ATOM 288 CG1 ILE A 19 1.194 -1.659 1.963 1.00 0.00 C ATOM 289 CG2 ILE A 19 -0.769 -3.011 2.752 1.00 0.00 C ATOM 290 CD1 ILE A 19 0.360 -0.450 1.599 1.00 0.00 C ATOM 0 H ILE A 19 1.999 -4.607 0.203 1.00 0.00 H new ATOM 0 HA ILE A 19 1.926 -3.938 3.090 1.00 0.00 H new ATOM 0 HB ILE A 19 0.093 -3.111 0.823 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.553 -1.544 2.986 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.072 -1.688 1.318 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.420 -2.173 2.503 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.312 -3.946 2.613 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.451 -2.927 3.791 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.961 0.453 1.708 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.022 -0.538 0.566 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.505 -0.392 2.260 1.00 0.00 H new ATOM 302 N LYS A 20 0.505 -5.912 3.580 1.00 0.00 N ATOM 303 CA LYS A 20 -0.145 -7.183 3.874 1.00 0.00 C ATOM 304 C LYS A 20 -1.657 -7.030 3.846 1.00 0.00 C ATOM 305 O LYS A 20 -2.235 -6.302 4.652 1.00 0.00 O ATOM 306 CB LYS A 20 0.305 -7.725 5.235 1.00 0.00 C ATOM 307 CG LYS A 20 1.760 -8.168 5.272 1.00 0.00 C ATOM 308 CD LYS A 20 2.022 -9.277 4.267 1.00 0.00 C ATOM 309 CE LYS A 20 3.466 -9.746 4.302 1.00 0.00 C ATOM 310 NZ LYS A 20 3.801 -10.438 5.576 1.00 0.00 N ATOM 0 H LYS A 20 0.841 -5.411 4.403 1.00 0.00 H new ATOM 0 HA LYS A 20 0.149 -7.896 3.104 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.151 -6.955 5.991 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.329 -8.569 5.506 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.407 -7.318 5.057 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.012 -8.515 6.274 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.362 -10.119 4.476 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.780 -8.923 3.265 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.648 -10.421 3.465 1.00 0.00 H new ATOM 0 HE3 LYS A 20 4.128 -8.890 4.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.743 -10.873 5.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.801 -9.749 6.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 3.094 -11.176 5.767 1.00 0.00 H new ATOM 324 N ASP A 21 -2.281 -7.738 2.922 1.00 0.00 N ATOM 325 CA ASP A 21 -3.716 -7.630 2.679 1.00 0.00 C ATOM 326 C ASP A 21 -4.520 -8.366 3.731 1.00 0.00 C ATOM 327 O ASP A 21 -3.998 -8.819 4.752 1.00 0.00 O ATOM 328 CB ASP A 21 -4.046 -8.261 1.329 1.00 0.00 C ATOM 329 CG ASP A 21 -4.565 -7.284 0.307 1.00 0.00 C ATOM 330 OD1 ASP A 21 -3.787 -6.433 -0.152 1.00 0.00 O ATOM 331 OD2 ASP A 21 -5.745 -7.406 -0.079 1.00 0.00 O ATOM 0 H ASP A 21 -1.809 -8.408 2.315 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.973 -6.571 2.705 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -3.150 -8.741 0.935 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -4.789 -9.045 1.478 1.00 0.00 H new ATOM 336 N GLU A 22 -5.798 -8.507 3.439 1.00 0.00 N ATOM 337 CA GLU A 22 -6.689 -9.336 4.231 1.00 0.00 C ATOM 338 C GLU A 22 -6.499 -10.782 3.784 1.00 0.00 C ATOM 339 O GLU A 22 -6.880 -11.727 4.467 1.00 0.00 O ATOM 340 CB GLU A 22 -8.139 -8.883 4.021 1.00 0.00 C ATOM 341 CG GLU A 22 -9.027 -9.001 5.254 1.00 0.00 C ATOM 342 CD GLU A 22 -9.329 -10.431 5.645 1.00 0.00 C ATOM 343 OE1 GLU A 22 -10.108 -11.094 4.930 1.00 0.00 O ATOM 344 OE2 GLU A 22 -8.808 -10.894 6.679 1.00 0.00 O ATOM 0 H GLU A 22 -6.249 -8.051 2.646 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.463 -9.247 5.294 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -8.137 -7.845 3.689 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.577 -9.474 3.216 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -8.542 -8.498 6.091 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -9.965 -8.478 5.068 1.00 0.00 H new ATOM 351 N ASN A 23 -5.871 -10.930 2.622 1.00 0.00 N ATOM 352 CA ASN A 23 -5.587 -12.239 2.049 1.00 0.00 C ATOM 353 C ASN A 23 -4.405 -12.892 2.759 1.00 0.00 C ATOM 354 O ASN A 23 -4.163 -14.087 2.609 1.00 0.00 O ATOM 355 CB ASN A 23 -5.298 -12.116 0.550 1.00 0.00 C ATOM 356 CG ASN A 23 -6.507 -11.644 -0.235 1.00 0.00 C ATOM 357 OD1 ASN A 23 -7.328 -12.446 -0.675 1.00 0.00 O ATOM 358 ND2 ASN A 23 -6.619 -10.336 -0.429 1.00 0.00 N ATOM 0 H ASN A 23 -5.546 -10.148 2.053 1.00 0.00 H new ATOM 0 HA ASN A 23 -6.466 -12.869 2.186 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -4.474 -11.419 0.398 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -4.973 -13.082 0.165 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -7.407 -9.965 -0.959 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -5.917 -9.702 -0.048 1.00 0.00 H new ATOM 365 N GLY A 24 -3.663 -12.097 3.523 1.00 0.00 N ATOM 366 CA GLY A 24 -2.583 -12.636 4.325 1.00 0.00 C ATOM 367 C GLY A 24 -1.213 -12.251 3.815 1.00 0.00 C ATOM 368 O GLY A 24 -0.277 -12.083 4.599 1.00 0.00 O ATOM 0 H GLY A 24 -3.791 -11.088 3.600 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.693 -12.287 5.352 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -2.663 -13.723 4.347 1.00 0.00 H new ATOM 372 N ASP A 25 -1.088 -12.094 2.506 1.00 0.00 N ATOM 373 CA ASP A 25 0.203 -11.805 1.904 1.00 0.00 C ATOM 374 C ASP A 25 0.212 -10.368 1.387 1.00 0.00 C ATOM 375 O ASP A 25 -0.755 -9.636 1.595 1.00 0.00 O ATOM 376 CB ASP A 25 0.504 -12.806 0.785 1.00 0.00 C ATOM 377 CG ASP A 25 1.992 -12.954 0.533 1.00 0.00 C ATOM 378 OD1 ASP A 25 2.672 -13.639 1.330 1.00 0.00 O ATOM 379 OD2 ASP A 25 2.489 -12.387 -0.458 1.00 0.00 O ATOM 0 H ASP A 25 -1.861 -12.162 1.844 1.00 0.00 H new ATOM 0 HA ASP A 25 0.988 -11.906 2.654 1.00 0.00 H new ATOM 0 HB2 ASP A 25 0.083 -13.777 1.046 1.00 0.00 H new ATOM 0 HB3 ASP A 25 0.013 -12.482 -0.132 1.00 0.00 H new ATOM 384 N ASN A 26 1.285 -9.961 0.724 1.00 0.00 N ATOM 385 CA ASN A 26 1.459 -8.565 0.360 1.00 0.00 C ATOM 386 C ASN A 26 1.313 -8.327 -1.138 1.00 0.00 C ATOM 387 O ASN A 26 1.643 -9.186 -1.955 1.00 0.00 O ATOM 388 CB ASN A 26 2.821 -8.049 0.849 1.00 0.00 C ATOM 389 CG ASN A 26 4.004 -8.949 0.502 1.00 0.00 C ATOM 390 OD1 ASN A 26 4.952 -9.055 1.277 1.00 0.00 O ATOM 391 ND2 ASN A 26 3.973 -9.587 -0.657 1.00 0.00 N ATOM 0 H ASN A 26 2.044 -10.575 0.429 1.00 0.00 H new ATOM 0 HA ASN A 26 0.662 -8.008 0.852 1.00 0.00 H new ATOM 0 HB2 ASN A 26 2.995 -7.061 0.422 1.00 0.00 H new ATOM 0 HB3 ASN A 26 2.781 -7.925 1.931 1.00 0.00 H new ATOM 0 HD21 ASN A 26 4.751 -10.188 -0.929 1.00 0.00 H new ATOM 0 HD22 ASN A 26 3.171 -9.478 -1.278 1.00 0.00 H new ATOM 398 N ARG A 27 0.809 -7.155 -1.486 1.00 0.00 N ATOM 399 CA ARG A 27 0.757 -6.723 -2.875 1.00 0.00 C ATOM 400 C ARG A 27 1.935 -5.813 -3.166 1.00 0.00 C ATOM 401 O ARG A 27 2.542 -5.259 -2.247 1.00 0.00 O ATOM 402 CB ARG A 27 -0.540 -5.975 -3.167 1.00 0.00 C ATOM 403 CG ARG A 27 -1.792 -6.758 -2.836 1.00 0.00 C ATOM 404 CD ARG A 27 -3.033 -6.024 -3.305 1.00 0.00 C ATOM 405 NE ARG A 27 -4.240 -6.590 -2.729 1.00 0.00 N ATOM 406 CZ ARG A 27 -5.208 -7.166 -3.429 1.00 0.00 C ATOM 407 NH1 ARG A 27 -5.125 -7.243 -4.754 1.00 0.00 N ATOM 408 NH2 ARG A 27 -6.264 -7.659 -2.796 1.00 0.00 N ATOM 0 H ARG A 27 0.428 -6.481 -0.822 1.00 0.00 H new ATOM 0 HA ARG A 27 0.799 -7.607 -3.511 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -0.546 -5.044 -2.600 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -0.562 -5.705 -4.223 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.746 -7.740 -3.307 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.848 -6.923 -1.760 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -2.958 -4.971 -3.032 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -3.093 -6.068 -4.392 1.00 0.00 H new ATOM 0 HE ARG A 27 -4.351 -6.541 -1.716 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -4.314 -6.858 -5.237 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -5.873 -7.687 -5.287 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -6.326 -7.593 -1.780 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -7.014 -8.104 -3.325 1.00 0.00 H new ATOM 422 N TYR A 28 2.254 -5.664 -4.437 1.00 0.00 N ATOM 423 CA TYR A 28 3.297 -4.750 -4.861 1.00 0.00 C ATOM 424 C TYR A 28 2.702 -3.357 -5.023 1.00 0.00 C ATOM 425 O TYR A 28 1.948 -3.097 -5.961 1.00 0.00 O ATOM 426 CB TYR A 28 3.918 -5.233 -6.179 1.00 0.00 C ATOM 427 CG TYR A 28 5.047 -4.368 -6.704 1.00 0.00 C ATOM 428 CD1 TYR A 28 6.361 -4.593 -6.312 1.00 0.00 C ATOM 429 CD2 TYR A 28 4.801 -3.338 -7.607 1.00 0.00 C ATOM 430 CE1 TYR A 28 7.395 -3.818 -6.803 1.00 0.00 C ATOM 431 CE2 TYR A 28 5.829 -2.556 -8.099 1.00 0.00 C ATOM 432 CZ TYR A 28 7.124 -2.802 -7.695 1.00 0.00 C ATOM 433 OH TYR A 28 8.153 -2.032 -8.189 1.00 0.00 O ATOM 0 H TYR A 28 1.802 -6.169 -5.199 1.00 0.00 H new ATOM 0 HA TYR A 28 4.085 -4.716 -4.109 1.00 0.00 H new ATOM 0 HB2 TYR A 28 4.291 -6.247 -6.038 1.00 0.00 H new ATOM 0 HB3 TYR A 28 3.135 -5.284 -6.936 1.00 0.00 H new ATOM 0 HD1 TYR A 28 6.578 -5.386 -5.612 1.00 0.00 H new ATOM 0 HD2 TYR A 28 3.788 -3.146 -7.929 1.00 0.00 H new ATOM 0 HE1 TYR A 28 8.411 -4.007 -6.489 1.00 0.00 H new ATOM 0 HE2 TYR A 28 5.619 -1.758 -8.795 1.00 0.00 H new ATOM 0 HH TYR A 28 8.557 -1.518 -7.459 1.00 0.00 H new ATOM 443 N PHE A 29 3.010 -2.479 -4.087 1.00 0.00 N ATOM 444 CA PHE A 29 2.495 -1.122 -4.126 1.00 0.00 C ATOM 445 C PHE A 29 3.517 -0.190 -4.744 1.00 0.00 C ATOM 446 O PHE A 29 4.717 -0.456 -4.711 1.00 0.00 O ATOM 447 CB PHE A 29 2.112 -0.638 -2.728 1.00 0.00 C ATOM 448 CG PHE A 29 0.875 -1.291 -2.184 1.00 0.00 C ATOM 449 CD1 PHE A 29 0.896 -2.612 -1.773 1.00 0.00 C ATOM 450 CD2 PHE A 29 -0.311 -0.586 -2.095 1.00 0.00 C ATOM 451 CE1 PHE A 29 -0.243 -3.214 -1.280 1.00 0.00 C ATOM 452 CE2 PHE A 29 -1.453 -1.184 -1.604 1.00 0.00 C ATOM 453 CZ PHE A 29 -1.420 -2.501 -1.197 1.00 0.00 C ATOM 0 H PHE A 29 3.614 -2.680 -3.290 1.00 0.00 H new ATOM 0 HA PHE A 29 1.596 -1.119 -4.742 1.00 0.00 H new ATOM 0 HB2 PHE A 29 2.942 -0.827 -2.047 1.00 0.00 H new ATOM 0 HB3 PHE A 29 1.961 0.441 -2.755 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.814 -3.178 -1.839 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.344 0.445 -2.414 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.213 -4.245 -0.959 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -2.372 -0.621 -1.538 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.313 -2.972 -0.814 1.00 0.00 H new ATOM 463 N HIS A 30 3.035 0.903 -5.302 1.00 0.00 N ATOM 464 CA HIS A 30 3.893 1.863 -5.971 1.00 0.00 C ATOM 465 C HIS A 30 3.299 3.264 -5.832 1.00 0.00 C ATOM 466 O HIS A 30 2.105 3.458 -6.061 1.00 0.00 O ATOM 467 CB HIS A 30 4.059 1.475 -7.447 1.00 0.00 C ATOM 468 CG HIS A 30 5.100 2.270 -8.174 1.00 0.00 C ATOM 469 ND1 HIS A 30 4.806 3.091 -9.236 1.00 0.00 N ATOM 470 CD2 HIS A 30 6.435 2.376 -7.982 1.00 0.00 C ATOM 471 CE1 HIS A 30 5.907 3.672 -9.664 1.00 0.00 C ATOM 472 NE2 HIS A 30 6.914 3.255 -8.921 1.00 0.00 N ATOM 0 H HIS A 30 2.045 1.150 -5.305 1.00 0.00 H new ATOM 0 HA HIS A 30 4.880 1.860 -5.508 1.00 0.00 H new ATOM 0 HB2 HIS A 30 4.317 0.418 -7.507 1.00 0.00 H new ATOM 0 HB3 HIS A 30 3.102 1.599 -7.954 1.00 0.00 H new ATOM 0 HD2 HIS A 30 7.016 1.864 -7.229 1.00 0.00 H new ATOM 0 HE1 HIS A 30 5.974 4.371 -10.484 1.00 0.00 H new ATOM 0 HE2 HIS A 30 7.888 3.539 -9.027 1.00 0.00 H new ATOM 481 N VAL A 31 4.151 4.220 -5.472 1.00 0.00 N ATOM 482 CA VAL A 31 3.746 5.591 -5.130 1.00 0.00 C ATOM 483 C VAL A 31 2.739 6.205 -6.116 1.00 0.00 C ATOM 484 O VAL A 31 1.831 6.926 -5.705 1.00 0.00 O ATOM 485 CB VAL A 31 4.994 6.501 -5.022 1.00 0.00 C ATOM 486 CG1 VAL A 31 5.789 6.505 -6.320 1.00 0.00 C ATOM 487 CG2 VAL A 31 4.611 7.918 -4.636 1.00 0.00 C ATOM 0 H VAL A 31 5.157 4.068 -5.407 1.00 0.00 H new ATOM 0 HA VAL A 31 3.236 5.526 -4.169 1.00 0.00 H new ATOM 0 HB VAL A 31 5.626 6.090 -4.234 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.659 7.153 -6.212 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.118 5.491 -6.548 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.160 6.874 -7.131 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.509 8.532 -4.568 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.944 8.333 -5.391 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.105 7.908 -3.671 1.00 0.00 H new ATOM 497 N ILE A 32 2.879 5.894 -7.400 1.00 0.00 N ATOM 498 CA ILE A 32 2.044 6.502 -8.436 1.00 0.00 C ATOM 499 C ILE A 32 0.554 6.185 -8.232 1.00 0.00 C ATOM 500 O ILE A 32 -0.321 6.950 -8.637 1.00 0.00 O ATOM 501 CB ILE A 32 2.484 6.037 -9.844 1.00 0.00 C ATOM 502 CG1 ILE A 32 1.699 6.781 -10.909 1.00 0.00 C ATOM 503 CG2 ILE A 32 2.278 4.540 -10.007 1.00 0.00 C ATOM 504 CD1 ILE A 32 2.322 6.721 -12.286 1.00 0.00 C ATOM 0 H ILE A 32 3.563 5.224 -7.751 1.00 0.00 H new ATOM 0 HA ILE A 32 2.178 7.581 -8.355 1.00 0.00 H new ATOM 0 HB ILE A 32 3.545 6.257 -9.959 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.692 6.368 -10.959 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.601 7.825 -10.611 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.594 4.236 -11.005 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.869 4.008 -9.261 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.223 4.301 -9.872 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.702 7.276 -12.990 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.318 7.162 -12.254 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.395 5.682 -12.607 1.00 0.00 H new ATOM 516 N LYS A 33 0.279 5.063 -7.588 1.00 0.00 N ATOM 517 CA LYS A 33 -1.090 4.605 -7.385 1.00 0.00 C ATOM 518 C LYS A 33 -1.544 4.830 -5.947 1.00 0.00 C ATOM 519 O LYS A 33 -2.611 4.361 -5.541 1.00 0.00 O ATOM 520 CB LYS A 33 -1.208 3.123 -7.749 1.00 0.00 C ATOM 521 CG LYS A 33 -0.917 2.834 -9.213 1.00 0.00 C ATOM 522 CD LYS A 33 -1.818 3.646 -10.132 1.00 0.00 C ATOM 523 CE LYS A 33 -1.491 3.404 -11.594 1.00 0.00 C ATOM 524 NZ LYS A 33 -2.291 4.278 -12.490 1.00 0.00 N ATOM 0 H LYS A 33 0.990 4.447 -7.193 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.740 5.188 -8.037 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.519 2.549 -7.129 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.214 2.777 -7.511 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.126 3.063 -9.430 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -1.058 1.771 -9.410 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -2.860 3.386 -9.944 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -1.709 4.707 -9.905 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -0.429 3.584 -11.764 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -1.681 2.359 -11.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.039 4.083 -13.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -3.303 4.089 -12.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.091 5.275 -12.272 1.00 0.00 H new ATOM 538 N VAL A 34 -0.736 5.552 -5.183 1.00 0.00 N ATOM 539 CA VAL A 34 -1.071 5.873 -3.804 1.00 0.00 C ATOM 540 C VAL A 34 -1.465 7.340 -3.703 1.00 0.00 C ATOM 541 O VAL A 34 -0.731 8.217 -4.159 1.00 0.00 O ATOM 542 CB VAL A 34 0.105 5.587 -2.843 1.00 0.00 C ATOM 543 CG1 VAL A 34 -0.314 5.811 -1.398 1.00 0.00 C ATOM 544 CG2 VAL A 34 0.625 4.170 -3.035 1.00 0.00 C ATOM 0 H VAL A 34 0.159 5.927 -5.497 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.906 5.237 -3.508 1.00 0.00 H new ATOM 0 HB VAL A 34 0.911 6.282 -3.077 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.529 5.604 -0.739 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.631 6.846 -1.267 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.140 5.144 -1.151 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.452 3.990 -2.349 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.175 3.458 -2.833 1.00 0.00 H new ATOM 0 HG23 VAL A 34 0.971 4.045 -4.061 1.00 0.00 H new ATOM 554 N ALA A 35 -2.625 7.598 -3.116 1.00 0.00 N ATOM 555 CA ALA A 35 -3.151 8.953 -3.017 1.00 0.00 C ATOM 556 C ALA A 35 -2.358 9.779 -2.014 1.00 0.00 C ATOM 557 O ALA A 35 -2.148 10.976 -2.206 1.00 0.00 O ATOM 558 CB ALA A 35 -4.623 8.925 -2.638 1.00 0.00 C ATOM 0 H ALA A 35 -3.222 6.884 -2.699 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.051 9.425 -3.994 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.000 9.945 -2.568 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.184 8.382 -3.398 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -4.741 8.428 -1.675 1.00 0.00 H new ATOM 564 N ASN A 36 -1.917 9.135 -0.946 1.00 0.00 N ATOM 565 CA ASN A 36 -1.157 9.812 0.098 1.00 0.00 C ATOM 566 C ASN A 36 0.066 8.993 0.520 1.00 0.00 C ATOM 567 O ASN A 36 0.111 8.439 1.618 1.00 0.00 O ATOM 568 CB ASN A 36 -2.051 10.114 1.313 1.00 0.00 C ATOM 569 CG ASN A 36 -2.941 8.945 1.723 1.00 0.00 C ATOM 570 OD1 ASN A 36 -2.633 7.783 1.464 1.00 0.00 O ATOM 571 ND2 ASN A 36 -4.051 9.251 2.376 1.00 0.00 N ATOM 0 H ASN A 36 -2.072 8.141 -0.777 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.800 10.756 -0.313 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -1.420 10.393 2.157 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -2.679 10.976 1.086 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -4.683 8.511 2.682 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -4.274 10.227 2.573 1.00 0.00 H new ATOM 578 N PRO A 37 1.091 8.923 -0.347 1.00 0.00 N ATOM 579 CA PRO A 37 2.286 8.109 -0.094 1.00 0.00 C ATOM 580 C PRO A 37 3.172 8.691 1.003 1.00 0.00 C ATOM 581 O PRO A 37 3.978 7.984 1.607 1.00 0.00 O ATOM 582 CB PRO A 37 3.015 8.122 -1.439 1.00 0.00 C ATOM 583 CG PRO A 37 2.577 9.384 -2.100 1.00 0.00 C ATOM 584 CD PRO A 37 1.167 9.631 -1.639 1.00 0.00 C ATOM 0 HA PRO A 37 2.029 7.110 0.258 1.00 0.00 H new ATOM 0 HB2 PRO A 37 4.096 8.102 -1.303 1.00 0.00 H new ATOM 0 HB3 PRO A 37 2.753 7.250 -2.039 1.00 0.00 H new ATOM 0 HG2 PRO A 37 3.228 10.214 -1.825 1.00 0.00 H new ATOM 0 HG3 PRO A 37 2.621 9.291 -3.185 1.00 0.00 H new ATOM 0 HD2 PRO A 37 0.964 10.696 -1.524 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.439 9.243 -2.352 1.00 0.00 H new ATOM 592 N ASP A 38 3.011 9.980 1.270 1.00 0.00 N ATOM 593 CA ASP A 38 3.798 10.650 2.296 1.00 0.00 C ATOM 594 C ASP A 38 3.211 10.377 3.673 1.00 0.00 C ATOM 595 O ASP A 38 3.866 10.563 4.697 1.00 0.00 O ATOM 596 CB ASP A 38 3.846 12.155 2.034 1.00 0.00 C ATOM 597 CG ASP A 38 4.808 12.876 2.960 1.00 0.00 C ATOM 598 OD1 ASP A 38 5.990 12.470 3.030 1.00 0.00 O ATOM 599 OD2 ASP A 38 4.389 13.845 3.629 1.00 0.00 O ATOM 0 H ASP A 38 2.342 10.583 0.790 1.00 0.00 H new ATOM 0 HA ASP A 38 4.814 10.258 2.263 1.00 0.00 H new ATOM 0 HB2 ASP A 38 4.142 12.331 1.000 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.847 12.574 2.156 1.00 0.00 H new ATOM 604 N LEU A 39 1.974 9.907 3.684 1.00 0.00 N ATOM 605 CA LEU A 39 1.276 9.620 4.919 1.00 0.00 C ATOM 606 C LEU A 39 1.416 8.144 5.267 1.00 0.00 C ATOM 607 O LEU A 39 0.840 7.660 6.242 1.00 0.00 O ATOM 608 CB LEU A 39 -0.198 10.002 4.783 1.00 0.00 C ATOM 609 CG LEU A 39 -0.464 11.488 4.524 1.00 0.00 C ATOM 610 CD1 LEU A 39 -1.957 11.770 4.523 1.00 0.00 C ATOM 611 CD2 LEU A 39 0.244 12.344 5.561 1.00 0.00 C ATOM 0 H LEU A 39 1.432 9.716 2.841 1.00 0.00 H new ATOM 0 HA LEU A 39 1.716 10.208 5.724 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.633 9.424 3.968 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.719 9.709 5.695 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.068 11.744 3.541 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.127 12.831 4.338 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.438 11.183 3.740 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.379 11.499 5.491 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.044 13.397 5.362 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.121 12.087 6.555 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.318 12.163 5.511 1.00 0.00 H new ATOM 623 N ILE A 40 2.187 7.439 4.454 1.00 0.00 N ATOM 624 CA ILE A 40 2.449 6.030 4.674 1.00 0.00 C ATOM 625 C ILE A 40 3.415 5.845 5.840 1.00 0.00 C ATOM 626 O ILE A 40 4.598 6.188 5.756 1.00 0.00 O ATOM 627 CB ILE A 40 3.010 5.363 3.398 1.00 0.00 C ATOM 628 CG1 ILE A 40 1.921 5.278 2.326 1.00 0.00 C ATOM 629 CG2 ILE A 40 3.567 3.978 3.707 1.00 0.00 C ATOM 630 CD1 ILE A 40 2.378 4.638 1.033 1.00 0.00 C ATOM 0 H ILE A 40 2.645 7.826 3.629 1.00 0.00 H new ATOM 0 HA ILE A 40 1.505 5.545 4.921 1.00 0.00 H new ATOM 0 HB ILE A 40 3.828 5.977 3.020 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.079 4.711 2.722 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.556 6.283 2.113 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.956 3.530 2.793 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.370 4.064 4.439 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.774 3.349 4.111 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.549 4.615 0.325 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.200 5.217 0.611 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.715 3.620 1.230 1.00 0.00 H new ATOM 642 N LYS A 41 2.888 5.319 6.934 1.00 0.00 N ATOM 643 CA LYS A 41 3.674 5.087 8.133 1.00 0.00 C ATOM 644 C LYS A 41 3.716 3.603 8.455 1.00 0.00 C ATOM 645 O LYS A 41 3.171 2.783 7.718 1.00 0.00 O ATOM 646 CB LYS A 41 3.078 5.853 9.317 1.00 0.00 C ATOM 647 CG LYS A 41 4.108 6.540 10.193 1.00 0.00 C ATOM 648 CD LYS A 41 3.459 7.225 11.384 1.00 0.00 C ATOM 649 CE LYS A 41 4.496 7.725 12.375 1.00 0.00 C ATOM 650 NZ LYS A 41 5.338 6.617 12.900 1.00 0.00 N ATOM 0 H LYS A 41 1.910 5.043 7.015 1.00 0.00 H new ATOM 0 HA LYS A 41 4.688 5.443 7.953 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.382 6.601 8.938 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.500 5.161 9.929 1.00 0.00 H new ATOM 0 HG2 LYS A 41 4.834 5.807 10.545 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.656 7.275 9.604 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.853 8.062 11.037 1.00 0.00 H new ATOM 0 HD3 LYS A 41 2.785 6.528 11.882 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.132 8.467 11.892 1.00 0.00 H new ATOM 0 HE3 LYS A 41 3.995 8.225 13.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 5.799 6.919 13.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 4.741 5.787 13.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 6.064 6.369 12.197 1.00 0.00 H new ATOM 664 N LYS A 42 4.349 3.266 9.565 1.00 0.00 N ATOM 665 CA LYS A 42 4.434 1.885 9.999 1.00 0.00 C ATOM 666 C LYS A 42 3.233 1.519 10.849 1.00 0.00 C ATOM 667 O LYS A 42 2.689 2.371 11.555 1.00 0.00 O ATOM 668 CB LYS A 42 5.712 1.642 10.792 1.00 0.00 C ATOM 669 CG LYS A 42 6.740 0.816 10.040 1.00 0.00 C ATOM 670 CD LYS A 42 7.374 1.599 8.903 1.00 0.00 C ATOM 671 CE LYS A 42 8.455 0.785 8.208 1.00 0.00 C ATOM 672 NZ LYS A 42 9.511 0.335 9.158 1.00 0.00 N ATOM 0 H LYS A 42 4.812 3.932 10.183 1.00 0.00 H new ATOM 0 HA LYS A 42 4.448 1.257 9.108 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.153 2.602 11.059 1.00 0.00 H new ATOM 0 HB3 LYS A 42 5.462 1.136 11.724 1.00 0.00 H new ATOM 0 HG2 LYS A 42 7.516 0.486 10.731 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.265 -0.081 9.642 1.00 0.00 H new ATOM 0 HD2 LYS A 42 6.608 1.881 8.181 1.00 0.00 H new ATOM 0 HD3 LYS A 42 7.804 2.523 9.290 1.00 0.00 H new ATOM 0 HE2 LYS A 42 8.003 -0.084 7.729 1.00 0.00 H new ATOM 0 HE3 LYS A 42 8.909 1.384 7.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 10.362 0.060 8.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 9.746 1.111 9.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 9.164 -0.480 9.702 1.00 0.00 H new ATOM 686 N ASP A 43 2.822 0.253 10.760 1.00 0.00 N ATOM 687 CA ASP A 43 1.694 -0.269 11.540 1.00 0.00 C ATOM 688 C ASP A 43 0.374 0.393 11.115 1.00 0.00 C ATOM 689 O ASP A 43 -0.672 0.200 11.736 1.00 0.00 O ATOM 690 CB ASP A 43 1.960 -0.071 13.042 1.00 0.00 C ATOM 691 CG ASP A 43 0.891 -0.679 13.926 1.00 0.00 C ATOM 692 OD1 ASP A 43 0.700 -1.915 13.877 1.00 0.00 O ATOM 693 OD2 ASP A 43 0.252 0.071 14.697 1.00 0.00 O ATOM 0 H ASP A 43 3.258 -0.438 10.149 1.00 0.00 H new ATOM 0 HA ASP A 43 1.598 -1.337 11.344 1.00 0.00 H new ATOM 0 HB2 ASP A 43 2.924 -0.512 13.294 1.00 0.00 H new ATOM 0 HB3 ASP A 43 2.033 0.996 13.253 1.00 0.00 H new ATOM 698 N ALA A 44 0.424 1.147 10.028 1.00 0.00 N ATOM 699 CA ALA A 44 -0.744 1.853 9.536 1.00 0.00 C ATOM 700 C ALA A 44 -1.521 0.994 8.550 1.00 0.00 C ATOM 701 O ALA A 44 -0.939 0.211 7.799 1.00 0.00 O ATOM 702 CB ALA A 44 -0.331 3.167 8.892 1.00 0.00 C ATOM 0 H ALA A 44 1.266 1.285 9.469 1.00 0.00 H new ATOM 0 HA ALA A 44 -1.397 2.069 10.382 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.216 3.687 8.527 1.00 0.00 H new ATOM 0 HB2 ALA A 44 0.178 3.789 9.628 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.342 2.968 8.058 1.00 0.00 H new ATOM 708 N ALA A 45 -2.836 1.142 8.565 1.00 0.00 N ATOM 709 CA ALA A 45 -3.699 0.399 7.661 1.00 0.00 C ATOM 710 C ALA A 45 -4.076 1.259 6.463 1.00 0.00 C ATOM 711 O ALA A 45 -4.119 2.489 6.557 1.00 0.00 O ATOM 712 CB ALA A 45 -4.945 -0.077 8.391 1.00 0.00 C ATOM 0 H ALA A 45 -3.331 1.773 9.196 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.157 -0.475 7.300 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.581 -0.632 7.701 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -4.657 -0.725 9.219 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.492 0.783 8.777 1.00 0.00 H new ATOM 718 N VAL A 46 -4.338 0.613 5.338 1.00 0.00 N ATOM 719 CA VAL A 46 -4.706 1.319 4.121 1.00 0.00 C ATOM 720 C VAL A 46 -5.964 0.733 3.496 1.00 0.00 C ATOM 721 O VAL A 46 -6.384 -0.382 3.819 1.00 0.00 O ATOM 722 CB VAL A 46 -3.570 1.294 3.074 1.00 0.00 C ATOM 723 CG1 VAL A 46 -2.364 2.069 3.569 1.00 0.00 C ATOM 724 CG2 VAL A 46 -3.177 -0.135 2.730 1.00 0.00 C ATOM 0 H VAL A 46 -4.302 -0.402 5.242 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.894 2.352 4.414 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.941 1.774 2.168 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.577 2.038 2.816 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.648 3.105 3.754 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.999 1.622 4.494 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.376 -0.124 1.991 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.834 -0.645 3.630 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.040 -0.661 2.322 1.00 0.00 H new ATOM 734 N THR A 47 -6.542 1.505 2.594 1.00 0.00 N ATOM 735 CA THR A 47 -7.712 1.108 1.832 1.00 0.00 C ATOM 736 C THR A 47 -7.422 1.298 0.348 1.00 0.00 C ATOM 737 O THR A 47 -6.859 2.321 -0.048 1.00 0.00 O ATOM 738 CB THR A 47 -8.957 1.934 2.227 1.00 0.00 C ATOM 739 OG1 THR A 47 -8.630 3.330 2.287 1.00 0.00 O ATOM 740 CG2 THR A 47 -9.510 1.489 3.569 1.00 0.00 C ATOM 0 H THR A 47 -6.206 2.441 2.367 1.00 0.00 H new ATOM 0 HA THR A 47 -7.926 0.061 2.049 1.00 0.00 H new ATOM 0 HB THR A 47 -9.718 1.769 1.465 1.00 0.00 H new ATOM 0 HG1 THR A 47 -9.427 3.842 2.537 1.00 0.00 H new ATOM 0 HG21 THR A 47 -10.385 2.089 3.819 1.00 0.00 H new ATOM 0 HG22 THR A 47 -9.794 0.438 3.515 1.00 0.00 H new ATOM 0 HG23 THR A 47 -8.749 1.620 4.338 1.00 0.00 H new ATOM 748 N PHE A 48 -7.777 0.317 -0.468 1.00 0.00 N ATOM 749 CA PHE A 48 -7.424 0.355 -1.880 1.00 0.00 C ATOM 750 C PHE A 48 -8.332 -0.539 -2.710 1.00 0.00 C ATOM 751 O PHE A 48 -9.171 -1.264 -2.170 1.00 0.00 O ATOM 752 CB PHE A 48 -5.969 -0.090 -2.058 1.00 0.00 C ATOM 753 CG PHE A 48 -5.644 -1.366 -1.326 1.00 0.00 C ATOM 754 CD1 PHE A 48 -6.070 -2.594 -1.810 1.00 0.00 C ATOM 755 CD2 PHE A 48 -4.916 -1.333 -0.149 1.00 0.00 C ATOM 756 CE1 PHE A 48 -5.775 -3.760 -1.134 1.00 0.00 C ATOM 757 CE2 PHE A 48 -4.619 -2.497 0.529 1.00 0.00 C ATOM 758 CZ PHE A 48 -5.048 -3.710 0.036 1.00 0.00 C ATOM 0 H PHE A 48 -8.304 -0.508 -0.181 1.00 0.00 H new ATOM 0 HA PHE A 48 -7.549 1.380 -2.229 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -5.765 -0.226 -3.120 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -5.308 0.702 -1.705 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.639 -2.638 -2.727 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -4.577 -0.385 0.243 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -6.113 -4.710 -1.521 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -4.050 -2.458 1.446 1.00 0.00 H new ATOM 0 HZ PHE A 48 -4.815 -4.621 0.566 1.00 0.00 H new ATOM 768 N GLU A 49 -8.147 -0.477 -4.020 1.00 0.00 N ATOM 769 CA GLU A 49 -8.823 -1.376 -4.939 1.00 0.00 C ATOM 770 C GLU A 49 -7.906 -2.549 -5.260 1.00 0.00 C ATOM 771 O GLU A 49 -6.697 -2.369 -5.408 1.00 0.00 O ATOM 772 CB GLU A 49 -9.186 -0.640 -6.232 1.00 0.00 C ATOM 773 CG GLU A 49 -10.220 0.454 -6.048 1.00 0.00 C ATOM 774 CD GLU A 49 -11.606 -0.098 -5.790 1.00 0.00 C ATOM 775 OE1 GLU A 49 -11.907 -0.456 -4.635 1.00 0.00 O ATOM 776 OE2 GLU A 49 -12.406 -0.167 -6.747 1.00 0.00 O ATOM 0 H GLU A 49 -7.527 0.195 -4.473 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.739 -1.739 -4.473 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.282 -0.204 -6.656 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.561 -1.363 -6.957 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.925 1.092 -5.215 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.242 1.082 -6.938 1.00 0.00 H new ATOM 783 N PRO A 50 -8.463 -3.756 -5.383 1.00 0.00 N ATOM 784 CA PRO A 50 -7.688 -4.942 -5.705 1.00 0.00 C ATOM 785 C PRO A 50 -7.522 -5.136 -7.206 1.00 0.00 C ATOM 786 O PRO A 50 -8.465 -4.929 -7.978 1.00 0.00 O ATOM 787 CB PRO A 50 -8.512 -6.082 -5.105 1.00 0.00 C ATOM 788 CG PRO A 50 -9.896 -5.543 -4.885 1.00 0.00 C ATOM 789 CD PRO A 50 -9.883 -4.067 -5.197 1.00 0.00 C ATOM 0 HA PRO A 50 -6.673 -4.882 -5.313 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -8.533 -6.940 -5.777 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -8.075 -6.423 -4.166 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -10.611 -6.060 -5.524 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -10.210 -5.711 -3.855 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -10.461 -3.844 -6.094 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -10.316 -3.484 -4.385 1.00 0.00 H new ATOM 797 N THR A 51 -6.326 -5.530 -7.619 1.00 0.00 N ATOM 798 CA THR A 51 -6.056 -5.778 -9.019 1.00 0.00 C ATOM 799 C THR A 51 -4.832 -6.673 -9.163 1.00 0.00 C ATOM 800 O THR A 51 -4.108 -6.921 -8.193 1.00 0.00 O ATOM 801 CB THR A 51 -5.837 -4.455 -9.797 1.00 0.00 C ATOM 802 OG1 THR A 51 -5.772 -4.700 -11.209 1.00 0.00 O ATOM 803 CG2 THR A 51 -4.556 -3.761 -9.353 1.00 0.00 C ATOM 0 H THR A 51 -5.530 -5.684 -7.000 1.00 0.00 H new ATOM 0 HA THR A 51 -6.925 -6.279 -9.444 1.00 0.00 H new ATOM 0 HB THR A 51 -6.686 -3.807 -9.579 1.00 0.00 H new ATOM 0 HG1 THR A 51 -5.635 -3.853 -11.682 1.00 0.00 H new ATOM 0 HG21 THR A 51 -4.429 -2.836 -9.916 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.616 -3.533 -8.289 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.705 -4.417 -9.536 1.00 0.00 H new ATOM 811 N THR A 52 -4.626 -7.176 -10.359 1.00 0.00 N ATOM 812 CA THR A 52 -3.454 -7.952 -10.669 1.00 0.00 C ATOM 813 C THR A 52 -2.857 -7.460 -11.978 1.00 0.00 C ATOM 814 O THR A 52 -3.572 -7.258 -12.961 1.00 0.00 O ATOM 815 CB THR A 52 -3.792 -9.452 -10.767 1.00 0.00 C ATOM 816 OG1 THR A 52 -5.030 -9.625 -11.465 1.00 0.00 O ATOM 817 CG2 THR A 52 -3.886 -10.095 -9.389 1.00 0.00 C ATOM 0 H THR A 52 -5.268 -7.057 -11.142 1.00 0.00 H new ATOM 0 HA THR A 52 -2.728 -7.826 -9.866 1.00 0.00 H new ATOM 0 HB THR A 52 -2.987 -9.942 -11.314 1.00 0.00 H new ATOM 0 HG1 THR A 52 -5.240 -10.580 -11.527 1.00 0.00 H new ATOM 0 HG21 THR A 52 -4.126 -11.153 -9.497 1.00 0.00 H new ATOM 0 HG22 THR A 52 -2.932 -9.990 -8.873 1.00 0.00 H new ATOM 0 HG23 THR A 52 -4.668 -9.603 -8.810 1.00 0.00 H new ATOM 825 N ASN A 53 -1.555 -7.234 -11.985 1.00 0.00 N ATOM 826 CA ASN A 53 -0.875 -6.747 -13.177 1.00 0.00 C ATOM 827 C ASN A 53 -0.244 -7.904 -13.934 1.00 0.00 C ATOM 828 O ASN A 53 0.713 -7.716 -14.684 1.00 0.00 O ATOM 829 CB ASN A 53 0.199 -5.719 -12.805 1.00 0.00 C ATOM 830 CG ASN A 53 -0.381 -4.435 -12.239 1.00 0.00 C ATOM 831 OD1 ASN A 53 0.212 -3.812 -11.361 1.00 0.00 O ATOM 832 ND2 ASN A 53 -1.541 -4.027 -12.732 1.00 0.00 N ATOM 0 H ASN A 53 -0.946 -7.379 -11.180 1.00 0.00 H new ATOM 0 HA ASN A 53 -1.613 -6.264 -13.817 1.00 0.00 H new ATOM 0 HB2 ASN A 53 0.877 -6.158 -12.074 1.00 0.00 H new ATOM 0 HB3 ASN A 53 0.792 -5.485 -13.689 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -1.970 -3.170 -12.383 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -2.005 -4.570 -13.461 1.00 0.00 H new ATOM 839 N ASN A 54 -0.801 -9.099 -13.721 1.00 0.00 N ATOM 840 CA ASN A 54 -0.319 -10.348 -14.328 1.00 0.00 C ATOM 841 C ASN A 54 1.036 -10.771 -13.758 1.00 0.00 C ATOM 842 O ASN A 54 1.253 -11.944 -13.458 1.00 0.00 O ATOM 843 CB ASN A 54 -0.246 -10.240 -15.854 1.00 0.00 C ATOM 844 CG ASN A 54 0.092 -11.568 -16.508 1.00 0.00 C ATOM 845 OD1 ASN A 54 1.258 -11.890 -16.721 1.00 0.00 O ATOM 846 ND2 ASN A 54 -0.928 -12.351 -16.825 1.00 0.00 N ATOM 0 H ASN A 54 -1.610 -9.231 -13.114 1.00 0.00 H new ATOM 0 HA ASN A 54 -1.046 -11.120 -14.075 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -1.201 -9.881 -16.237 1.00 0.00 H new ATOM 0 HB3 ASN A 54 0.506 -9.500 -16.129 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -0.759 -13.257 -17.262 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -1.883 -12.048 -16.632 1.00 0.00 H new ATOM 853 N LYS A 55 1.942 -9.816 -13.609 1.00 0.00 N ATOM 854 CA LYS A 55 3.247 -10.076 -13.029 1.00 0.00 C ATOM 855 C LYS A 55 3.122 -10.421 -11.547 1.00 0.00 C ATOM 856 O LYS A 55 3.893 -11.220 -11.022 1.00 0.00 O ATOM 857 CB LYS A 55 4.161 -8.861 -13.213 1.00 0.00 C ATOM 858 CG LYS A 55 4.760 -8.720 -14.611 1.00 0.00 C ATOM 859 CD LYS A 55 3.705 -8.437 -15.673 1.00 0.00 C ATOM 860 CE LYS A 55 4.333 -8.179 -17.034 1.00 0.00 C ATOM 861 NZ LYS A 55 5.088 -9.353 -17.544 1.00 0.00 N ATOM 0 H LYS A 55 1.793 -8.846 -13.885 1.00 0.00 H new ATOM 0 HA LYS A 55 3.686 -10.930 -13.545 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.594 -7.959 -12.982 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.973 -8.921 -12.489 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.494 -7.914 -14.609 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.293 -9.635 -14.868 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.022 -9.283 -15.742 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.112 -7.572 -15.376 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.552 -7.916 -17.747 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.003 -7.322 -16.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.395 -9.170 -18.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 5.921 -9.517 -16.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 4.476 -10.194 -17.525 1.00 0.00 H new ATOM 875 N GLY A 56 2.136 -9.829 -10.883 1.00 0.00 N ATOM 876 CA GLY A 56 1.927 -10.089 -9.470 1.00 0.00 C ATOM 877 C GLY A 56 0.692 -9.395 -8.935 1.00 0.00 C ATOM 878 O GLY A 56 -0.051 -8.760 -9.694 1.00 0.00 O ATOM 0 H GLY A 56 1.476 -9.172 -11.299 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.835 -11.163 -9.310 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.800 -9.756 -8.909 1.00 0.00 H new ATOM 882 N LEU A 57 0.470 -9.525 -7.632 1.00 0.00 N ATOM 883 CA LEU A 57 -0.658 -8.892 -6.970 1.00 0.00 C ATOM 884 C LEU A 57 -0.356 -7.419 -6.722 1.00 0.00 C ATOM 885 O LEU A 57 0.759 -7.073 -6.325 1.00 0.00 O ATOM 886 CB LEU A 57 -0.934 -9.591 -5.637 1.00 0.00 C ATOM 887 CG LEU A 57 -1.047 -11.116 -5.699 1.00 0.00 C ATOM 888 CD1 LEU A 57 -1.268 -11.682 -4.308 1.00 0.00 C ATOM 889 CD2 LEU A 57 -2.172 -11.540 -6.629 1.00 0.00 C ATOM 0 H LEU A 57 1.066 -10.070 -7.009 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.537 -8.974 -7.610 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.137 -9.332 -4.940 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.861 -9.193 -5.224 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.113 -11.513 -6.096 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.347 -12.768 -4.365 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.428 -11.412 -3.668 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.188 -11.273 -3.891 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.231 -12.628 -6.656 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.116 -11.134 -6.267 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.976 -11.163 -7.633 1.00 0.00 H new ATOM 901 N SER A 58 -1.332 -6.552 -6.949 1.00 0.00 N ATOM 902 CA SER A 58 -1.123 -5.128 -6.773 1.00 0.00 C ATOM 903 C SER A 58 -2.415 -4.423 -6.392 1.00 0.00 C ATOM 904 O SER A 58 -3.497 -5.018 -6.413 1.00 0.00 O ATOM 905 CB SER A 58 -0.525 -4.507 -8.037 1.00 0.00 C ATOM 906 OG SER A 58 -1.036 -5.115 -9.210 1.00 0.00 O ATOM 0 H SER A 58 -2.270 -6.811 -7.254 1.00 0.00 H new ATOM 0 HA SER A 58 -0.415 -4.996 -5.955 1.00 0.00 H new ATOM 0 HB2 SER A 58 -0.742 -3.439 -8.056 1.00 0.00 H new ATOM 0 HB3 SER A 58 0.560 -4.611 -8.016 1.00 0.00 H new ATOM 0 HG SER A 58 -0.293 -5.438 -9.761 1.00 0.00 H new ATOM 912 N ALA A 59 -2.291 -3.170 -5.991 1.00 0.00 N ATOM 913 CA ALA A 59 -3.443 -2.374 -5.606 1.00 0.00 C ATOM 914 C ALA A 59 -3.273 -0.927 -6.044 1.00 0.00 C ATOM 915 O ALA A 59 -2.152 -0.416 -6.095 1.00 0.00 O ATOM 916 CB ALA A 59 -3.642 -2.446 -4.103 1.00 0.00 C ATOM 0 H ALA A 59 -1.399 -2.680 -5.923 1.00 0.00 H new ATOM 0 HA ALA A 59 -4.324 -2.779 -6.104 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.508 -1.847 -3.821 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.806 -3.482 -3.807 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -2.755 -2.061 -3.600 1.00 0.00 H new ATOM 922 N TYR A 60 -4.381 -0.271 -6.359 1.00 0.00 N ATOM 923 CA TYR A 60 -4.351 1.136 -6.728 1.00 0.00 C ATOM 924 C TYR A 60 -5.410 1.906 -5.962 1.00 0.00 C ATOM 925 O TYR A 60 -6.210 1.314 -5.231 1.00 0.00 O ATOM 926 CB TYR A 60 -4.536 1.336 -8.238 1.00 0.00 C ATOM 927 CG TYR A 60 -5.833 0.790 -8.802 1.00 0.00 C ATOM 928 CD1 TYR A 60 -5.973 -0.557 -9.110 1.00 0.00 C ATOM 929 CD2 TYR A 60 -6.915 1.630 -9.036 1.00 0.00 C ATOM 930 CE1 TYR A 60 -7.154 -1.053 -9.631 1.00 0.00 C ATOM 931 CE2 TYR A 60 -8.097 1.143 -9.558 1.00 0.00 C ATOM 932 CZ TYR A 60 -8.212 -0.198 -9.855 1.00 0.00 C ATOM 933 OH TYR A 60 -9.388 -0.685 -10.380 1.00 0.00 O ATOM 0 H TYR A 60 -5.311 -0.691 -6.366 1.00 0.00 H new ATOM 0 HA TYR A 60 -3.367 1.522 -6.463 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -4.482 2.402 -8.457 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -3.703 0.861 -8.757 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -5.145 -1.229 -8.940 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -6.830 2.682 -8.806 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -7.247 -2.104 -9.861 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -8.928 1.810 -9.733 1.00 0.00 H new ATOM 0 HH TYR A 60 -10.032 0.047 -10.474 1.00 0.00 H new ATOM 943 N ALA A 61 -5.405 3.225 -6.147 1.00 0.00 N ATOM 944 CA ALA A 61 -6.286 4.124 -5.403 1.00 0.00 C ATOM 945 C ALA A 61 -6.030 3.979 -3.906 1.00 0.00 C ATOM 946 O ALA A 61 -6.933 4.140 -3.083 1.00 0.00 O ATOM 947 CB ALA A 61 -7.748 3.847 -5.734 1.00 0.00 C ATOM 0 H ALA A 61 -4.794 3.699 -6.813 1.00 0.00 H new ATOM 0 HA ALA A 61 -6.069 5.151 -5.697 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -8.384 4.528 -5.169 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -7.914 3.997 -6.801 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -7.992 2.818 -5.469 1.00 0.00 H new ATOM 953 N VAL A 62 -4.776 3.695 -3.571 1.00 0.00 N ATOM 954 CA VAL A 62 -4.388 3.391 -2.203 1.00 0.00 C ATOM 955 C VAL A 62 -4.448 4.631 -1.322 1.00 0.00 C ATOM 956 O VAL A 62 -3.709 5.595 -1.532 1.00 0.00 O ATOM 957 CB VAL A 62 -2.965 2.802 -2.142 1.00 0.00 C ATOM 958 CG1 VAL A 62 -2.635 2.335 -0.731 1.00 0.00 C ATOM 959 CG2 VAL A 62 -2.813 1.663 -3.139 1.00 0.00 C ATOM 0 H VAL A 62 -4.005 3.670 -4.238 1.00 0.00 H new ATOM 0 HA VAL A 62 -5.098 2.652 -1.832 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.258 3.587 -2.412 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.626 1.923 -0.711 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.696 3.180 -0.045 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.347 1.568 -0.426 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.802 1.261 -3.080 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.530 0.876 -2.905 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.998 2.035 -4.147 1.00 0.00 H new ATOM 969 N LYS A 63 -5.345 4.606 -0.354 1.00 0.00 N ATOM 970 CA LYS A 63 -5.460 5.670 0.614 1.00 0.00 C ATOM 971 C LYS A 63 -5.146 5.151 2.008 1.00 0.00 C ATOM 972 O LYS A 63 -5.796 4.224 2.501 1.00 0.00 O ATOM 973 CB LYS A 63 -6.863 6.265 0.572 1.00 0.00 C ATOM 974 CG LYS A 63 -7.132 7.087 -0.678 1.00 0.00 C ATOM 975 CD LYS A 63 -8.545 7.644 -0.690 1.00 0.00 C ATOM 976 CE LYS A 63 -9.583 6.548 -0.856 1.00 0.00 C ATOM 977 NZ LYS A 63 -10.960 7.102 -0.919 1.00 0.00 N ATOM 0 H LYS A 63 -6.012 3.846 -0.220 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.741 6.451 0.366 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.594 5.458 0.632 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.010 6.894 1.450 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.417 7.908 -0.735 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.977 6.467 -1.561 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -8.731 8.183 0.239 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.645 8.365 -1.502 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.375 5.984 -1.766 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.510 5.848 -0.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -11.642 6.325 -1.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -11.167 7.619 -0.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -11.037 7.751 -1.728 1.00 0.00 H new ATOM 991 N VAL A 64 -4.127 5.733 2.618 1.00 0.00 N ATOM 992 CA VAL A 64 -3.739 5.390 3.978 1.00 0.00 C ATOM 993 C VAL A 64 -4.759 5.950 4.961 1.00 0.00 C ATOM 994 O VAL A 64 -5.408 6.956 4.676 1.00 0.00 O ATOM 995 CB VAL A 64 -2.339 5.956 4.314 1.00 0.00 C ATOM 996 CG1 VAL A 64 -1.876 5.520 5.696 1.00 0.00 C ATOM 997 CG2 VAL A 64 -1.330 5.531 3.263 1.00 0.00 C ATOM 0 H VAL A 64 -3.547 6.453 2.188 1.00 0.00 H new ATOM 0 HA VAL A 64 -3.704 4.304 4.059 1.00 0.00 H new ATOM 0 HB VAL A 64 -2.414 7.043 4.315 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.889 5.936 5.897 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.581 5.879 6.446 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -1.826 4.432 5.736 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.350 5.937 3.514 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -1.274 4.443 3.231 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -1.640 5.907 2.288 1.00 0.00 H new ATOM 1007 N VAL A 65 -4.913 5.284 6.099 1.00 0.00 N ATOM 1008 CA VAL A 65 -5.798 5.756 7.153 1.00 0.00 C ATOM 1009 C VAL A 65 -4.981 6.358 8.301 1.00 0.00 C ATOM 1010 O VAL A 65 -4.593 5.655 9.236 1.00 0.00 O ATOM 1011 CB VAL A 65 -6.694 4.621 7.694 1.00 0.00 C ATOM 1012 CG1 VAL A 65 -7.702 5.155 8.703 1.00 0.00 C ATOM 1013 CG2 VAL A 65 -7.405 3.903 6.554 1.00 0.00 C ATOM 0 H VAL A 65 -4.433 4.410 6.315 1.00 0.00 H new ATOM 0 HA VAL A 65 -6.443 6.522 6.722 1.00 0.00 H new ATOM 0 HB VAL A 65 -6.053 3.902 8.204 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -8.320 4.335 9.068 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -7.173 5.611 9.540 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -8.335 5.902 8.224 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -8.030 3.107 6.959 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -8.028 4.613 6.009 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.666 3.474 5.877 1.00 0.00 H new ATOM 1023 N PRO A 66 -4.659 7.660 8.218 1.00 0.00 N ATOM 1024 CA PRO A 66 -3.865 8.348 9.227 1.00 0.00 C ATOM 1025 C PRO A 66 -4.717 8.787 10.413 1.00 0.00 C ATOM 1026 O PRO A 66 -5.789 9.369 10.235 1.00 0.00 O ATOM 1027 CB PRO A 66 -3.312 9.578 8.483 1.00 0.00 C ATOM 1028 CG PRO A 66 -3.900 9.537 7.103 1.00 0.00 C ATOM 1029 CD PRO A 66 -5.055 8.579 7.155 1.00 0.00 C ATOM 0 HA PRO A 66 -3.088 7.707 9.642 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -3.589 10.499 8.996 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.223 9.550 8.442 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -4.233 10.528 6.794 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.158 9.209 6.375 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -5.992 9.086 7.386 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.197 8.063 6.205 1.00 0.00 H new ATOM 1037 N LEU A 67 -4.242 8.495 11.618 1.00 0.00 N ATOM 1038 CA LEU A 67 -4.949 8.886 12.831 1.00 0.00 C ATOM 1039 C LEU A 67 -5.005 10.405 12.942 1.00 0.00 C ATOM 1040 O LEU A 67 -6.060 11.012 12.759 1.00 0.00 O ATOM 1041 CB LEU A 67 -4.266 8.291 14.066 1.00 0.00 C ATOM 1042 CG LEU A 67 -4.192 6.764 14.100 1.00 0.00 C ATOM 1043 CD1 LEU A 67 -3.463 6.299 15.349 1.00 0.00 C ATOM 1044 CD2 LEU A 67 -5.587 6.157 14.039 1.00 0.00 C ATOM 0 H LEU A 67 -3.371 7.989 11.781 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.967 8.499 12.778 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.253 8.689 14.128 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.797 8.632 14.954 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.635 6.426 13.226 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.418 5.210 15.360 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.451 6.704 15.352 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.996 6.649 16.233 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.512 5.070 14.064 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -6.171 6.501 14.893 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.078 6.465 13.116 1.00 0.00 H new ATOM 1056 N GLU A 68 -3.863 11.013 13.218 1.00 0.00 N ATOM 1057 CA GLU A 68 -3.770 12.459 13.295 1.00 0.00 C ATOM 1058 C GLU A 68 -2.469 12.924 12.666 1.00 0.00 C ATOM 1059 O GLU A 68 -1.392 12.410 12.980 1.00 0.00 O ATOM 1060 CB GLU A 68 -3.873 12.935 14.750 1.00 0.00 C ATOM 1061 CG GLU A 68 -3.899 14.451 14.908 1.00 0.00 C ATOM 1062 CD GLU A 68 -2.557 15.033 15.308 1.00 0.00 C ATOM 1063 OE1 GLU A 68 -2.258 15.055 16.524 1.00 0.00 O ATOM 1064 OE2 GLU A 68 -1.802 15.486 14.422 1.00 0.00 O ATOM 0 H GLU A 68 -2.985 10.524 13.393 1.00 0.00 H new ATOM 0 HA GLU A 68 -4.603 12.895 12.743 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.777 12.519 15.194 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -3.029 12.536 15.312 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.218 14.902 13.968 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.642 14.719 15.659 1.00 0.00 H new ATOM 1071 N HIS A 69 -2.580 13.867 11.751 1.00 0.00 N ATOM 1072 CA HIS A 69 -1.417 14.442 11.101 1.00 0.00 C ATOM 1073 C HIS A 69 -1.685 15.906 10.790 1.00 0.00 C ATOM 1074 O HIS A 69 -1.879 16.279 9.631 1.00 0.00 O ATOM 1075 CB HIS A 69 -1.071 13.667 9.822 1.00 0.00 C ATOM 1076 CG HIS A 69 0.269 14.019 9.239 1.00 0.00 C ATOM 1077 ND1 HIS A 69 1.456 13.571 9.772 1.00 0.00 N ATOM 1078 CD2 HIS A 69 0.604 14.758 8.153 1.00 0.00 C ATOM 1079 CE1 HIS A 69 2.462 14.018 9.043 1.00 0.00 C ATOM 1080 NE2 HIS A 69 1.976 14.740 8.051 1.00 0.00 N ATOM 0 H HIS A 69 -3.471 14.254 11.439 1.00 0.00 H new ATOM 0 HA HIS A 69 -0.561 14.372 11.772 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -1.092 12.599 10.039 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -1.842 13.856 9.075 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -0.080 15.267 7.490 1.00 0.00 H new ATOM 0 HE1 HIS A 69 3.508 13.825 9.228 1.00 0.00 H new ATOM 0 HE2 HIS A 69 2.526 15.207 7.329 1.00 0.00 H new ATOM 1089 N HIS A 70 -1.741 16.715 11.842 1.00 0.00 N ATOM 1090 CA HIS A 70 -2.032 18.137 11.708 1.00 0.00 C ATOM 1091 C HIS A 70 -1.039 18.796 10.759 1.00 0.00 C ATOM 1092 O HIS A 70 0.174 18.719 10.958 1.00 0.00 O ATOM 1093 CB HIS A 70 -1.997 18.819 13.078 1.00 0.00 C ATOM 1094 CG HIS A 70 -2.525 20.222 13.060 1.00 0.00 C ATOM 1095 ND1 HIS A 70 -1.718 21.337 13.155 1.00 0.00 N ATOM 1096 CD2 HIS A 70 -3.791 20.686 12.964 1.00 0.00 C ATOM 1097 CE1 HIS A 70 -2.469 22.422 13.116 1.00 0.00 C ATOM 1098 NE2 HIS A 70 -3.728 22.055 13.001 1.00 0.00 N ATOM 0 H HIS A 70 -1.588 16.408 12.802 1.00 0.00 H new ATOM 0 HA HIS A 70 -3.033 18.249 11.291 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -2.581 18.228 13.784 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -0.970 18.830 13.444 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -4.686 20.089 12.875 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -2.111 23.439 13.169 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -4.527 22.687 12.948 1.00 0.00 H new ATOM 1107 N HIS A 71 -1.566 19.439 9.728 1.00 0.00 N ATOM 1108 CA HIS A 71 -0.742 20.046 8.691 1.00 0.00 C ATOM 1109 C HIS A 71 -0.026 21.284 9.221 1.00 0.00 C ATOM 1110 O HIS A 71 -0.662 22.242 9.669 1.00 0.00 O ATOM 1111 CB HIS A 71 -1.599 20.412 7.476 1.00 0.00 C ATOM 1112 CG HIS A 71 -2.303 19.238 6.866 1.00 0.00 C ATOM 1113 ND1 HIS A 71 -3.673 19.087 6.891 1.00 0.00 N ATOM 1114 CD2 HIS A 71 -1.822 18.153 6.212 1.00 0.00 C ATOM 1115 CE1 HIS A 71 -4.002 17.962 6.282 1.00 0.00 C ATOM 1116 NE2 HIS A 71 -2.898 17.378 5.859 1.00 0.00 N ATOM 0 H HIS A 71 -2.569 19.555 9.586 1.00 0.00 H new ATOM 0 HA HIS A 71 0.010 19.319 8.386 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -2.339 21.155 7.774 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -0.965 20.878 6.721 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -0.784 17.938 6.007 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -5.005 17.584 6.152 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -2.851 16.494 5.352 1.00 0.00 H new ATOM 1125 N HIS A 72 1.297 21.261 9.161 1.00 0.00 N ATOM 1126 CA HIS A 72 2.102 22.349 9.689 1.00 0.00 C ATOM 1127 C HIS A 72 2.266 23.458 8.659 1.00 0.00 C ATOM 1128 O HIS A 72 3.245 23.491 7.916 1.00 0.00 O ATOM 1129 CB HIS A 72 3.479 21.847 10.125 1.00 0.00 C ATOM 1130 CG HIS A 72 3.760 22.037 11.584 1.00 0.00 C ATOM 1131 ND1 HIS A 72 4.257 23.211 12.111 1.00 0.00 N ATOM 1132 CD2 HIS A 72 3.620 21.190 12.629 1.00 0.00 C ATOM 1133 CE1 HIS A 72 4.409 23.076 13.413 1.00 0.00 C ATOM 1134 NE2 HIS A 72 4.029 21.861 13.754 1.00 0.00 N ATOM 0 H HIS A 72 1.836 20.498 8.751 1.00 0.00 H new ATOM 0 HA HIS A 72 1.580 22.750 10.557 1.00 0.00 H new ATOM 0 HB2 HIS A 72 3.562 20.787 9.884 1.00 0.00 H new ATOM 0 HB3 HIS A 72 4.244 22.366 9.547 1.00 0.00 H new ATOM 0 HD1 HIS A 72 4.473 24.052 11.576 1.00 0.00 H new ATOM 0 HD2 HIS A 72 3.254 20.175 12.586 1.00 0.00 H new ATOM 0 HE1 HIS A 72 4.782 23.833 14.087 1.00 0.00 H new ATOM 1143 N HIS A 73 1.295 24.355 8.610 1.00 0.00 N ATOM 1144 CA HIS A 73 1.384 25.533 7.753 1.00 0.00 C ATOM 1145 C HIS A 73 1.819 26.733 8.579 1.00 0.00 C ATOM 1146 O HIS A 73 1.368 27.858 8.367 1.00 0.00 O ATOM 1147 CB HIS A 73 0.046 25.815 7.064 1.00 0.00 C ATOM 1148 CG HIS A 73 -0.271 24.858 5.957 1.00 0.00 C ATOM 1149 ND1 HIS A 73 0.112 25.064 4.647 1.00 0.00 N ATOM 1150 CD2 HIS A 73 -0.948 23.684 5.964 1.00 0.00 C ATOM 1151 CE1 HIS A 73 -0.309 24.061 3.903 1.00 0.00 C ATOM 1152 NE2 HIS A 73 -0.953 23.213 4.676 1.00 0.00 N ATOM 0 H HIS A 73 0.434 24.293 9.153 1.00 0.00 H new ATOM 0 HA HIS A 73 2.125 25.343 6.976 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -0.751 25.776 7.807 1.00 0.00 H new ATOM 0 HB3 HIS A 73 0.059 26.829 6.664 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -1.399 23.209 6.823 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -0.152 23.953 2.840 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -1.387 22.343 4.366 1.00 0.00 H new ATOM 1161 N HIS A 74 2.711 26.468 9.521 1.00 0.00 N ATOM 1162 CA HIS A 74 3.213 27.480 10.427 1.00 0.00 C ATOM 1163 C HIS A 74 4.535 27.008 11.010 1.00 0.00 C ATOM 1164 O HIS A 74 4.572 25.883 11.553 1.00 0.00 O ATOM 1165 CB HIS A 74 2.197 27.748 11.543 1.00 0.00 C ATOM 1166 CG HIS A 74 2.562 28.893 12.435 1.00 0.00 C ATOM 1167 ND1 HIS A 74 2.725 28.759 13.796 1.00 0.00 N ATOM 1168 CD2 HIS A 74 2.772 30.202 12.161 1.00 0.00 C ATOM 1169 CE1 HIS A 74 3.020 29.933 14.320 1.00 0.00 C ATOM 1170 NE2 HIS A 74 3.055 30.827 13.350 1.00 0.00 N ATOM 1171 OXT HIS A 74 5.530 27.751 10.921 1.00 0.00 O ATOM 0 H HIS A 74 3.106 25.541 9.676 1.00 0.00 H new ATOM 0 HA HIS A 74 3.369 28.412 9.884 1.00 0.00 H new ATOM 0 HB2 HIS A 74 1.224 27.946 11.094 1.00 0.00 H new ATOM 0 HB3 HIS A 74 2.092 26.848 12.149 1.00 0.00 H new ATOM 0 HD2 HIS A 74 2.726 30.668 11.188 1.00 0.00 H new ATOM 0 HE1 HIS A 74 3.202 30.129 15.366 1.00 0.00 H new ATOM 0 HE2 HIS A 74 3.259 31.820 13.465 1.00 0.00 H new TER 1180 HIS A 74