USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=16 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 8 THR OG1 : rot 170:sc=-0.00527 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -141:sc= -0.246 (180deg=-1.01) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl 179:sc= -1.93! (180deg=-1.93!) USER MOD Single : A 4 ASN : amide:sc= -0.124 X(o=-0.12,f=-0.61) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 168:sc= 1.19 (180deg=0.753) USER MOD Single : A 20 LYS NZ :NH3+ 174:sc= -0.211 (180deg=-0.264) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=-0.084) USER MOD Single : A 26 ASN : amide:sc= 0.352 K(o=0.35,f=-5.4!) USER MOD Single : A 28 TYR OH : rot -69:sc= 0.0581 USER MOD Single : A 30 HIS : no HD1:sc= -1.15 K(o=-1.2,f=-5!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -5.27! C(o=-5.3!,f=-13!) USER MOD Single : A 41 LYS NZ :NH3+ -129:sc= 0.198 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.266) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -1.65 K(o=-1.7,f=-6.7!) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 26:sc= -0.621! USER MOD Single : A 60 TYR OH : rot 49:sc= 1.25 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 HIS : no HD1:sc= -0.0178 X(o=-0.018,f=0) USER MOD Single : A 70 HIS : no HE2:sc= 0.629 K(o=0.63,f=-2.2!) USER MOD Single : A 71 HIS : no HD1:sc= 0.738 K(o=0.74,f=-4.1!) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 74 HIS : no HD1:sc=-0.000784 X(o=-0.00078,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.282 -6.062 -2.633 1.00 0.00 N ATOM 2 CA MET A 1 -13.940 -4.839 -3.392 1.00 0.00 C ATOM 3 C MET A 1 -12.867 -4.043 -2.654 1.00 0.00 C ATOM 4 O MET A 1 -11.679 -4.223 -2.900 1.00 0.00 O ATOM 5 CB MET A 1 -15.192 -3.985 -3.617 1.00 0.00 C ATOM 6 CG MET A 1 -14.941 -2.722 -4.423 1.00 0.00 C ATOM 7 SD MET A 1 -16.448 -1.784 -4.726 1.00 0.00 S ATOM 8 CE MET A 1 -17.400 -2.985 -5.651 1.00 0.00 C ATOM 0 H1 MET A 1 -15.013 -6.595 -3.145 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.433 -6.653 -2.526 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.640 -5.798 -1.693 1.00 0.00 H new ATOM 0 HA MET A 1 -13.544 -5.128 -4.366 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.943 -4.587 -4.129 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.610 -3.709 -2.649 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.226 -2.093 -3.893 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.485 -2.988 -5.377 1.00 0.00 H new ATOM 0 HE1 MET A 1 -17.943 -2.481 -6.451 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.729 -3.728 -6.081 1.00 0.00 H new ATOM 0 HE3 MET A 1 -18.109 -3.478 -4.986 1.00 0.00 H new ATOM 20 N ALA A 2 -13.276 -3.199 -1.716 1.00 0.00 N ATOM 21 CA ALA A 2 -12.325 -2.398 -0.962 1.00 0.00 C ATOM 22 C ALA A 2 -11.769 -3.206 0.200 1.00 0.00 C ATOM 23 O ALA A 2 -12.504 -3.584 1.116 1.00 0.00 O ATOM 24 CB ALA A 2 -12.982 -1.120 -0.465 1.00 0.00 C ATOM 0 H ALA A 2 -14.253 -3.053 -1.461 1.00 0.00 H new ATOM 0 HA ALA A 2 -11.500 -2.121 -1.618 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -12.256 -0.533 0.097 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -13.338 -0.539 -1.316 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -13.824 -1.371 0.181 1.00 0.00 H new ATOM 30 N MET A 3 -10.479 -3.489 0.144 1.00 0.00 N ATOM 31 CA MET A 3 -9.823 -4.285 1.172 1.00 0.00 C ATOM 32 C MET A 3 -8.778 -3.439 1.889 1.00 0.00 C ATOM 33 O MET A 3 -8.221 -2.509 1.301 1.00 0.00 O ATOM 34 CB MET A 3 -9.167 -5.514 0.537 1.00 0.00 C ATOM 35 CG MET A 3 -10.135 -6.361 -0.278 1.00 0.00 C ATOM 36 SD MET A 3 -9.321 -7.670 -1.217 1.00 0.00 S ATOM 37 CE MET A 3 -8.700 -8.705 0.105 1.00 0.00 C ATOM 0 H MET A 3 -9.861 -3.178 -0.606 1.00 0.00 H new ATOM 0 HA MET A 3 -10.564 -4.619 1.898 1.00 0.00 H new ATOM 0 HB2 MET A 3 -8.349 -5.189 -0.106 1.00 0.00 H new ATOM 0 HB3 MET A 3 -8.729 -6.130 1.322 1.00 0.00 H new ATOM 0 HG2 MET A 3 -10.870 -6.807 0.392 1.00 0.00 H new ATOM 0 HG3 MET A 3 -10.681 -5.716 -0.966 1.00 0.00 H new ATOM 0 HE1 MET A 3 -8.187 -9.568 -0.319 1.00 0.00 H new ATOM 0 HE2 MET A 3 -8.003 -8.133 0.718 1.00 0.00 H new ATOM 0 HE3 MET A 3 -9.532 -9.045 0.722 1.00 0.00 H new ATOM 47 N ASN A 4 -8.523 -3.738 3.154 1.00 0.00 N ATOM 48 CA ASN A 4 -7.533 -2.990 3.909 1.00 0.00 C ATOM 49 C ASN A 4 -6.265 -3.808 4.091 1.00 0.00 C ATOM 50 O ASN A 4 -6.309 -5.034 4.193 1.00 0.00 O ATOM 51 CB ASN A 4 -8.078 -2.541 5.273 1.00 0.00 C ATOM 52 CG ASN A 4 -8.372 -3.685 6.232 1.00 0.00 C ATOM 53 OD1 ASN A 4 -9.488 -4.192 6.279 1.00 0.00 O ATOM 54 ND2 ASN A 4 -7.378 -4.086 7.014 1.00 0.00 N ATOM 0 H ASN A 4 -8.983 -4.485 3.674 1.00 0.00 H new ATOM 0 HA ASN A 4 -7.295 -2.095 3.335 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -7.356 -1.869 5.737 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -8.992 -1.968 5.116 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -7.528 -4.841 7.684 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -6.463 -3.640 6.946 1.00 0.00 H new ATOM 61 N GLY A 5 -5.137 -3.122 4.121 1.00 0.00 N ATOM 62 CA GLY A 5 -3.869 -3.787 4.309 1.00 0.00 C ATOM 63 C GLY A 5 -2.954 -2.998 5.213 1.00 0.00 C ATOM 64 O GLY A 5 -3.162 -1.802 5.415 1.00 0.00 O ATOM 0 H GLY A 5 -5.077 -2.109 4.018 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -4.036 -4.776 4.735 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -3.388 -3.933 3.342 1.00 0.00 H new ATOM 68 N THR A 6 -1.950 -3.657 5.765 1.00 0.00 N ATOM 69 CA THR A 6 -0.990 -2.990 6.621 1.00 0.00 C ATOM 70 C THR A 6 0.329 -2.804 5.883 1.00 0.00 C ATOM 71 O THR A 6 0.787 -3.703 5.174 1.00 0.00 O ATOM 72 CB THR A 6 -0.742 -3.789 7.908 1.00 0.00 C ATOM 73 OG1 THR A 6 -1.993 -4.221 8.462 1.00 0.00 O ATOM 74 CG2 THR A 6 0.003 -2.953 8.939 1.00 0.00 C ATOM 0 H THR A 6 -1.780 -4.654 5.634 1.00 0.00 H new ATOM 0 HA THR A 6 -1.403 -2.018 6.889 1.00 0.00 H new ATOM 0 HB THR A 6 -0.130 -4.654 7.655 1.00 0.00 H new ATOM 0 HG1 THR A 6 -1.829 -4.732 9.282 1.00 0.00 H new ATOM 0 HG21 THR A 6 0.164 -3.545 9.840 1.00 0.00 H new ATOM 0 HG22 THR A 6 0.965 -2.644 8.531 1.00 0.00 H new ATOM 0 HG23 THR A 6 -0.586 -2.070 9.186 1.00 0.00 H new ATOM 82 N ILE A 7 0.926 -1.639 6.052 1.00 0.00 N ATOM 83 CA ILE A 7 2.186 -1.319 5.401 1.00 0.00 C ATOM 84 C ILE A 7 3.337 -1.958 6.167 1.00 0.00 C ATOM 85 O ILE A 7 3.706 -1.494 7.248 1.00 0.00 O ATOM 86 CB ILE A 7 2.411 0.207 5.317 1.00 0.00 C ATOM 87 CG1 ILE A 7 1.204 0.885 4.662 1.00 0.00 C ATOM 88 CG2 ILE A 7 3.683 0.518 4.539 1.00 0.00 C ATOM 89 CD1 ILE A 7 1.295 2.395 4.630 1.00 0.00 C ATOM 0 H ILE A 7 0.556 -0.892 6.639 1.00 0.00 H new ATOM 0 HA ILE A 7 2.147 -1.713 4.386 1.00 0.00 H new ATOM 0 HB ILE A 7 2.524 0.597 6.329 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.100 0.515 3.642 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.301 0.596 5.199 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.825 1.598 4.490 1.00 0.00 H new ATOM 0 HG22 ILE A 7 4.537 0.062 5.040 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.599 0.117 3.529 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.405 2.803 4.152 1.00 0.00 H new ATOM 0 HD12 ILE A 7 1.367 2.777 5.648 1.00 0.00 H new ATOM 0 HD13 ILE A 7 2.179 2.694 4.067 1.00 0.00 H new ATOM 101 N THR A 8 3.892 -3.026 5.617 1.00 0.00 N ATOM 102 CA THR A 8 4.943 -3.757 6.291 1.00 0.00 C ATOM 103 C THR A 8 6.282 -3.510 5.615 1.00 0.00 C ATOM 104 O THR A 8 7.262 -3.137 6.259 1.00 0.00 O ATOM 105 CB THR A 8 4.631 -5.262 6.309 1.00 0.00 C ATOM 106 OG1 THR A 8 4.277 -5.709 4.994 1.00 0.00 O ATOM 107 CG2 THR A 8 3.498 -5.572 7.277 1.00 0.00 C ATOM 0 H THR A 8 3.630 -3.403 4.706 1.00 0.00 H new ATOM 0 HA THR A 8 4.999 -3.401 7.320 1.00 0.00 H new ATOM 0 HB THR A 8 5.526 -5.788 6.642 1.00 0.00 H new ATOM 0 HG1 THR A 8 4.238 -6.688 4.981 1.00 0.00 H new ATOM 0 HG21 THR A 8 3.297 -6.643 7.271 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.783 -5.262 8.282 1.00 0.00 H new ATOM 0 HG23 THR A 8 2.601 -5.033 6.972 1.00 0.00 H new ATOM 115 N THR A 9 6.311 -3.710 4.309 1.00 0.00 N ATOM 116 CA THR A 9 7.485 -3.413 3.520 1.00 0.00 C ATOM 117 C THR A 9 7.287 -2.080 2.814 1.00 0.00 C ATOM 118 O THR A 9 6.353 -1.923 2.035 1.00 0.00 O ATOM 119 CB THR A 9 7.747 -4.512 2.475 1.00 0.00 C ATOM 120 OG1 THR A 9 7.712 -5.800 3.104 1.00 0.00 O ATOM 121 CG2 THR A 9 9.096 -4.311 1.801 1.00 0.00 C ATOM 0 H THR A 9 5.526 -4.080 3.773 1.00 0.00 H new ATOM 0 HA THR A 9 8.346 -3.365 4.186 1.00 0.00 H new ATOM 0 HB THR A 9 6.968 -4.453 1.715 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.878 -6.496 2.434 1.00 0.00 H new ATOM 0 HG21 THR A 9 9.257 -5.101 1.067 1.00 0.00 H new ATOM 0 HG22 THR A 9 9.112 -3.342 1.302 1.00 0.00 H new ATOM 0 HG23 THR A 9 9.886 -4.346 2.551 1.00 0.00 H new ATOM 129 N TRP A 10 8.139 -1.115 3.104 1.00 0.00 N ATOM 130 CA TRP A 10 7.998 0.201 2.507 1.00 0.00 C ATOM 131 C TRP A 10 9.344 0.884 2.379 1.00 0.00 C ATOM 132 O TRP A 10 9.982 1.219 3.377 1.00 0.00 O ATOM 133 CB TRP A 10 7.043 1.070 3.332 1.00 0.00 C ATOM 134 CG TRP A 10 6.827 2.437 2.753 1.00 0.00 C ATOM 135 CD1 TRP A 10 7.099 3.633 3.350 1.00 0.00 C ATOM 136 CD2 TRP A 10 6.303 2.746 1.454 1.00 0.00 C ATOM 137 NE1 TRP A 10 6.774 4.666 2.506 1.00 0.00 N ATOM 138 CE2 TRP A 10 6.285 4.149 1.336 1.00 0.00 C ATOM 139 CE3 TRP A 10 5.848 1.976 0.378 1.00 0.00 C ATOM 140 CZ2 TRP A 10 5.830 4.793 0.190 1.00 0.00 C ATOM 141 CZ3 TRP A 10 5.395 2.619 -0.760 1.00 0.00 C ATOM 142 CH2 TRP A 10 5.391 4.016 -0.846 1.00 0.00 C ATOM 0 H TRP A 10 8.928 -1.214 3.742 1.00 0.00 H new ATOM 0 HA TRP A 10 7.580 0.072 1.509 1.00 0.00 H new ATOM 0 HB2 TRP A 10 6.082 0.563 3.414 1.00 0.00 H new ATOM 0 HB3 TRP A 10 7.438 1.170 4.343 1.00 0.00 H new ATOM 0 HD1 TRP A 10 7.510 3.750 4.342 1.00 0.00 H new ATOM 0 HE1 TRP A 10 6.880 5.658 2.716 1.00 0.00 H new ATOM 0 HE3 TRP A 10 5.850 0.898 0.435 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 5.824 5.871 0.121 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 5.039 2.034 -1.595 1.00 0.00 H new ATOM 0 HH2 TRP A 10 5.034 4.490 -1.749 1.00 0.00 H new ATOM 153 N PHE A 11 9.767 1.079 1.142 1.00 0.00 N ATOM 154 CA PHE A 11 10.982 1.811 0.856 1.00 0.00 C ATOM 155 C PHE A 11 10.619 3.177 0.302 1.00 0.00 C ATOM 156 O PHE A 11 10.549 3.365 -0.910 1.00 0.00 O ATOM 157 CB PHE A 11 11.865 1.051 -0.140 1.00 0.00 C ATOM 158 CG PHE A 11 12.355 -0.275 0.368 1.00 0.00 C ATOM 159 CD1 PHE A 11 13.480 -0.350 1.172 1.00 0.00 C ATOM 160 CD2 PHE A 11 11.690 -1.448 0.041 1.00 0.00 C ATOM 161 CE1 PHE A 11 13.934 -1.568 1.643 1.00 0.00 C ATOM 162 CE2 PHE A 11 12.139 -2.667 0.508 1.00 0.00 C ATOM 163 CZ PHE A 11 13.263 -2.728 1.309 1.00 0.00 C ATOM 0 H PHE A 11 9.279 0.736 0.315 1.00 0.00 H new ATOM 0 HA PHE A 11 11.550 1.926 1.779 1.00 0.00 H new ATOM 0 HB2 PHE A 11 11.303 0.891 -1.060 1.00 0.00 H new ATOM 0 HB3 PHE A 11 12.724 1.671 -0.395 1.00 0.00 H new ATOM 0 HD1 PHE A 11 14.009 0.554 1.434 1.00 0.00 H new ATOM 0 HD2 PHE A 11 10.811 -1.407 -0.586 1.00 0.00 H new ATOM 0 HE1 PHE A 11 14.812 -1.612 2.271 1.00 0.00 H new ATOM 0 HE2 PHE A 11 11.612 -3.573 0.247 1.00 0.00 H new ATOM 0 HZ PHE A 11 13.616 -3.681 1.673 1.00 0.00 H new ATOM 173 N LYS A 12 10.359 4.116 1.202 1.00 0.00 N ATOM 174 CA LYS A 12 9.944 5.465 0.821 1.00 0.00 C ATOM 175 C LYS A 12 11.018 6.122 -0.040 1.00 0.00 C ATOM 176 O LYS A 12 10.723 6.919 -0.928 1.00 0.00 O ATOM 177 CB LYS A 12 9.669 6.291 2.087 1.00 0.00 C ATOM 178 CG LYS A 12 8.794 7.523 1.871 1.00 0.00 C ATOM 179 CD LYS A 12 9.570 8.685 1.276 1.00 0.00 C ATOM 180 CE LYS A 12 8.685 9.907 1.097 1.00 0.00 C ATOM 181 NZ LYS A 12 9.439 11.059 0.546 1.00 0.00 N ATOM 0 H LYS A 12 10.428 3.969 2.209 1.00 0.00 H new ATOM 0 HA LYS A 12 9.028 5.413 0.232 1.00 0.00 H new ATOM 0 HB2 LYS A 12 9.191 5.648 2.826 1.00 0.00 H new ATOM 0 HB3 LYS A 12 10.622 6.609 2.510 1.00 0.00 H new ATOM 0 HG2 LYS A 12 7.966 7.266 1.211 1.00 0.00 H new ATOM 0 HG3 LYS A 12 8.360 7.829 2.823 1.00 0.00 H new ATOM 0 HD2 LYS A 12 10.410 8.934 1.924 1.00 0.00 H new ATOM 0 HD3 LYS A 12 9.987 8.391 0.313 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.858 9.662 0.431 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.249 10.184 2.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 8.800 11.873 0.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 10.213 11.309 1.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 9.833 10.804 -0.382 1.00 0.00 H new ATOM 195 N ASP A 13 12.264 5.743 0.214 1.00 0.00 N ATOM 196 CA ASP A 13 13.404 6.276 -0.520 1.00 0.00 C ATOM 197 C ASP A 13 13.392 5.819 -1.979 1.00 0.00 C ATOM 198 O ASP A 13 13.952 6.479 -2.852 1.00 0.00 O ATOM 199 CB ASP A 13 14.699 5.841 0.171 1.00 0.00 C ATOM 200 CG ASP A 13 15.946 6.298 -0.554 1.00 0.00 C ATOM 201 OD1 ASP A 13 16.227 7.511 -0.559 1.00 0.00 O ATOM 202 OD2 ASP A 13 16.657 5.438 -1.116 1.00 0.00 O ATOM 0 H ASP A 13 12.512 5.061 0.931 1.00 0.00 H new ATOM 0 HA ASP A 13 13.340 7.364 -0.521 1.00 0.00 H new ATOM 0 HB2 ASP A 13 14.712 6.237 1.186 1.00 0.00 H new ATOM 0 HB3 ASP A 13 14.712 4.754 0.252 1.00 0.00 H new ATOM 207 N LYS A 14 12.742 4.691 -2.244 1.00 0.00 N ATOM 208 CA LYS A 14 12.656 4.162 -3.600 1.00 0.00 C ATOM 209 C LYS A 14 11.270 4.409 -4.193 1.00 0.00 C ATOM 210 O LYS A 14 11.119 4.566 -5.404 1.00 0.00 O ATOM 211 CB LYS A 14 12.971 2.663 -3.627 1.00 0.00 C ATOM 212 CG LYS A 14 14.433 2.316 -3.365 1.00 0.00 C ATOM 213 CD LYS A 14 14.797 2.429 -1.892 1.00 0.00 C ATOM 214 CE LYS A 14 16.272 2.146 -1.663 1.00 0.00 C ATOM 215 NZ LYS A 14 17.135 3.152 -2.332 1.00 0.00 N ATOM 0 H LYS A 14 12.268 4.126 -1.539 1.00 0.00 H new ATOM 0 HA LYS A 14 13.397 4.685 -4.204 1.00 0.00 H new ATOM 0 HB2 LYS A 14 12.353 2.162 -2.882 1.00 0.00 H new ATOM 0 HB3 LYS A 14 12.685 2.263 -4.600 1.00 0.00 H new ATOM 0 HG2 LYS A 14 14.631 1.301 -3.709 1.00 0.00 H new ATOM 0 HG3 LYS A 14 15.072 2.980 -3.947 1.00 0.00 H new ATOM 0 HD2 LYS A 14 14.557 3.429 -1.532 1.00 0.00 H new ATOM 0 HD3 LYS A 14 14.196 1.728 -1.312 1.00 0.00 H new ATOM 0 HE2 LYS A 14 16.480 2.142 -0.593 1.00 0.00 H new ATOM 0 HE3 LYS A 14 16.514 1.152 -2.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 18.113 3.051 -1.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 17.109 3.003 -3.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 16.789 4.108 -2.112 1.00 0.00 H new ATOM 229 N GLY A 15 10.258 4.422 -3.337 1.00 0.00 N ATOM 230 CA GLY A 15 8.914 4.724 -3.786 1.00 0.00 C ATOM 231 C GLY A 15 8.049 3.492 -3.980 1.00 0.00 C ATOM 232 O GLY A 15 6.982 3.573 -4.595 1.00 0.00 O ATOM 0 H GLY A 15 10.344 4.229 -2.339 1.00 0.00 H new ATOM 0 HA2 GLY A 15 8.437 5.383 -3.061 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.968 5.272 -4.727 1.00 0.00 H new ATOM 236 N PHE A 16 8.489 2.349 -3.464 1.00 0.00 N ATOM 237 CA PHE A 16 7.703 1.126 -3.575 1.00 0.00 C ATOM 238 C PHE A 16 7.752 0.326 -2.282 1.00 0.00 C ATOM 239 O PHE A 16 8.486 0.668 -1.351 1.00 0.00 O ATOM 240 CB PHE A 16 8.176 0.257 -4.752 1.00 0.00 C ATOM 241 CG PHE A 16 9.532 -0.377 -4.568 1.00 0.00 C ATOM 242 CD1 PHE A 16 10.686 0.285 -4.956 1.00 0.00 C ATOM 243 CD2 PHE A 16 9.648 -1.647 -4.021 1.00 0.00 C ATOM 244 CE1 PHE A 16 11.925 -0.305 -4.796 1.00 0.00 C ATOM 245 CE2 PHE A 16 10.886 -2.238 -3.858 1.00 0.00 C ATOM 246 CZ PHE A 16 12.025 -1.566 -4.248 1.00 0.00 C ATOM 0 H PHE A 16 9.375 2.244 -2.970 1.00 0.00 H new ATOM 0 HA PHE A 16 6.671 1.422 -3.764 1.00 0.00 H new ATOM 0 HB2 PHE A 16 7.442 -0.531 -4.921 1.00 0.00 H new ATOM 0 HB3 PHE A 16 8.197 0.871 -5.653 1.00 0.00 H new ATOM 0 HD1 PHE A 16 10.616 1.272 -5.388 1.00 0.00 H new ATOM 0 HD2 PHE A 16 8.759 -2.180 -3.719 1.00 0.00 H new ATOM 0 HE1 PHE A 16 12.817 0.223 -5.101 1.00 0.00 H new ATOM 0 HE2 PHE A 16 10.962 -3.225 -3.426 1.00 0.00 H new ATOM 0 HZ PHE A 16 12.994 -2.027 -4.124 1.00 0.00 H new ATOM 256 N GLY A 17 6.973 -0.740 -2.240 1.00 0.00 N ATOM 257 CA GLY A 17 6.918 -1.581 -1.065 1.00 0.00 C ATOM 258 C GLY A 17 5.894 -2.688 -1.205 1.00 0.00 C ATOM 259 O GLY A 17 5.447 -2.989 -2.313 1.00 0.00 O ATOM 0 H GLY A 17 6.371 -1.041 -3.007 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.901 -2.017 -0.885 1.00 0.00 H new ATOM 0 HA3 GLY A 17 6.676 -0.972 -0.194 1.00 0.00 H new ATOM 263 N PHE A 18 5.511 -3.281 -0.082 1.00 0.00 N ATOM 264 CA PHE A 18 4.555 -4.374 -0.071 1.00 0.00 C ATOM 265 C PHE A 18 3.602 -4.194 1.094 1.00 0.00 C ATOM 266 O PHE A 18 4.025 -3.942 2.225 1.00 0.00 O ATOM 267 CB PHE A 18 5.253 -5.731 0.050 1.00 0.00 C ATOM 268 CG PHE A 18 6.113 -6.092 -1.129 1.00 0.00 C ATOM 269 CD1 PHE A 18 5.559 -6.703 -2.244 1.00 0.00 C ATOM 270 CD2 PHE A 18 7.473 -5.830 -1.121 1.00 0.00 C ATOM 271 CE1 PHE A 18 6.347 -7.045 -3.326 1.00 0.00 C ATOM 272 CE2 PHE A 18 8.266 -6.169 -2.200 1.00 0.00 C ATOM 273 CZ PHE A 18 7.702 -6.778 -3.304 1.00 0.00 C ATOM 0 H PHE A 18 5.854 -3.018 0.842 1.00 0.00 H new ATOM 0 HA PHE A 18 4.010 -4.357 -1.015 1.00 0.00 H new ATOM 0 HB2 PHE A 18 5.870 -5.730 0.948 1.00 0.00 H new ATOM 0 HB3 PHE A 18 4.497 -6.505 0.184 1.00 0.00 H new ATOM 0 HD1 PHE A 18 4.500 -6.914 -2.267 1.00 0.00 H new ATOM 0 HD2 PHE A 18 7.919 -5.355 -0.260 1.00 0.00 H new ATOM 0 HE1 PHE A 18 5.904 -7.521 -4.188 1.00 0.00 H new ATOM 0 HE2 PHE A 18 9.325 -5.958 -2.180 1.00 0.00 H new ATOM 0 HZ PHE A 18 8.320 -7.045 -4.149 1.00 0.00 H new ATOM 283 N ILE A 19 2.325 -4.317 0.816 1.00 0.00 N ATOM 284 CA ILE A 19 1.309 -4.155 1.835 1.00 0.00 C ATOM 285 C ILE A 19 0.513 -5.440 1.984 1.00 0.00 C ATOM 286 O ILE A 19 -0.063 -5.942 1.019 1.00 0.00 O ATOM 287 CB ILE A 19 0.373 -2.970 1.505 1.00 0.00 C ATOM 288 CG1 ILE A 19 1.160 -1.657 1.552 1.00 0.00 C ATOM 289 CG2 ILE A 19 -0.812 -2.923 2.455 1.00 0.00 C ATOM 290 CD1 ILE A 19 0.353 -0.436 1.170 1.00 0.00 C ATOM 0 H ILE A 19 1.961 -4.530 -0.113 1.00 0.00 H new ATOM 0 HA ILE A 19 1.803 -3.934 2.781 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.020 -3.111 0.498 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.553 -1.518 2.559 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.017 -1.736 0.883 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.452 -2.079 2.197 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.382 -3.849 2.372 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.454 -2.808 3.478 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.984 0.451 1.229 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.018 -0.549 0.152 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.489 -0.328 1.853 1.00 0.00 H new ATOM 302 N LYS A 20 0.512 -5.978 3.193 1.00 0.00 N ATOM 303 CA LYS A 20 -0.162 -7.234 3.473 1.00 0.00 C ATOM 304 C LYS A 20 -1.603 -6.974 3.873 1.00 0.00 C ATOM 305 O LYS A 20 -1.875 -6.404 4.934 1.00 0.00 O ATOM 306 CB LYS A 20 0.570 -7.991 4.577 1.00 0.00 C ATOM 307 CG LYS A 20 1.995 -8.367 4.213 1.00 0.00 C ATOM 308 CD LYS A 20 2.040 -9.435 3.130 1.00 0.00 C ATOM 309 CE LYS A 20 2.213 -10.833 3.712 1.00 0.00 C ATOM 310 NZ LYS A 20 1.120 -11.212 4.650 1.00 0.00 N ATOM 0 H LYS A 20 0.974 -5.560 4.001 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.156 -7.847 2.571 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.584 -7.379 5.479 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.013 -8.897 4.815 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.529 -7.480 3.871 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.514 -8.728 5.101 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.121 -9.397 2.545 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.862 -9.223 2.446 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.253 -11.557 2.898 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.168 -10.887 4.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.236 -12.206 4.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.159 -10.604 5.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.201 -11.091 4.179 1.00 0.00 H new ATOM 324 N ASP A 21 -2.515 -7.398 3.019 1.00 0.00 N ATOM 325 CA ASP A 21 -3.934 -7.116 3.207 1.00 0.00 C ATOM 326 C ASP A 21 -4.657 -8.275 3.879 1.00 0.00 C ATOM 327 O ASP A 21 -4.030 -9.228 4.348 1.00 0.00 O ATOM 328 CB ASP A 21 -4.603 -6.812 1.867 1.00 0.00 C ATOM 329 CG ASP A 21 -4.614 -8.009 0.941 1.00 0.00 C ATOM 330 OD1 ASP A 21 -3.572 -8.301 0.332 1.00 0.00 O ATOM 331 OD2 ASP A 21 -5.671 -8.656 0.814 1.00 0.00 O ATOM 0 H ASP A 21 -2.302 -7.942 2.183 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.003 -6.244 3.858 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.627 -6.483 2.042 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -4.081 -5.987 1.383 1.00 0.00 H new ATOM 336 N GLU A 22 -5.983 -8.178 3.899 1.00 0.00 N ATOM 337 CA GLU A 22 -6.839 -9.153 4.555 1.00 0.00 C ATOM 338 C GLU A 22 -6.712 -10.538 3.931 1.00 0.00 C ATOM 339 O GLU A 22 -6.837 -11.549 4.626 1.00 0.00 O ATOM 340 CB GLU A 22 -8.291 -8.691 4.478 1.00 0.00 C ATOM 341 CG GLU A 22 -8.543 -7.359 5.160 1.00 0.00 C ATOM 342 CD GLU A 22 -9.966 -6.876 4.977 1.00 0.00 C ATOM 343 OE1 GLU A 22 -10.262 -6.270 3.927 1.00 0.00 O ATOM 344 OE2 GLU A 22 -10.798 -7.105 5.885 1.00 0.00 O ATOM 0 H GLU A 22 -6.494 -7.414 3.457 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.520 -9.227 5.595 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -8.584 -8.614 3.431 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.929 -9.449 4.933 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -8.328 -7.453 6.225 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.855 -6.614 4.761 1.00 0.00 H new ATOM 351 N ASN A 23 -6.455 -10.586 2.627 1.00 0.00 N ATOM 352 CA ASN A 23 -6.346 -11.857 1.917 1.00 0.00 C ATOM 353 C ASN A 23 -5.164 -12.661 2.446 1.00 0.00 C ATOM 354 O ASN A 23 -5.190 -13.893 2.463 1.00 0.00 O ATOM 355 CB ASN A 23 -6.187 -11.631 0.412 1.00 0.00 C ATOM 356 CG ASN A 23 -6.138 -12.929 -0.369 1.00 0.00 C ATOM 357 OD1 ASN A 23 -5.072 -13.507 -0.572 1.00 0.00 O ATOM 358 ND2 ASN A 23 -7.292 -13.391 -0.816 1.00 0.00 N ATOM 0 H ASN A 23 -6.319 -9.762 2.042 1.00 0.00 H new ATOM 0 HA ASN A 23 -7.265 -12.418 2.089 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -7.017 -11.024 0.050 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -5.274 -11.065 0.228 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -7.321 -14.258 -1.352 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -8.154 -12.880 -0.625 1.00 0.00 H new ATOM 365 N GLY A 24 -4.135 -11.956 2.891 1.00 0.00 N ATOM 366 CA GLY A 24 -2.976 -12.614 3.458 1.00 0.00 C ATOM 367 C GLY A 24 -1.831 -12.725 2.477 1.00 0.00 C ATOM 368 O GLY A 24 -0.846 -13.413 2.740 1.00 0.00 O ATOM 0 H GLY A 24 -4.082 -10.938 2.870 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.644 -12.062 4.337 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.258 -13.611 3.795 1.00 0.00 H new ATOM 372 N ASP A 25 -1.950 -12.044 1.350 1.00 0.00 N ATOM 373 CA ASP A 25 -0.916 -12.087 0.329 1.00 0.00 C ATOM 374 C ASP A 25 -0.162 -10.766 0.295 1.00 0.00 C ATOM 375 O ASP A 25 -0.577 -9.789 0.920 1.00 0.00 O ATOM 376 CB ASP A 25 -1.528 -12.394 -1.041 1.00 0.00 C ATOM 377 CG ASP A 25 -0.486 -12.768 -2.076 1.00 0.00 C ATOM 378 OD1 ASP A 25 0.221 -13.776 -1.868 1.00 0.00 O ATOM 379 OD2 ASP A 25 -0.377 -12.074 -3.105 1.00 0.00 O ATOM 0 H ASP A 25 -2.750 -11.456 1.119 1.00 0.00 H new ATOM 0 HA ASP A 25 -0.213 -12.883 0.574 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.243 -13.210 -0.940 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.084 -11.524 -1.389 1.00 0.00 H new ATOM 384 N ASN A 26 0.954 -10.741 -0.410 1.00 0.00 N ATOM 385 CA ASN A 26 1.752 -9.541 -0.526 1.00 0.00 C ATOM 386 C ASN A 26 1.615 -8.940 -1.919 1.00 0.00 C ATOM 387 O ASN A 26 1.995 -9.547 -2.920 1.00 0.00 O ATOM 388 CB ASN A 26 3.225 -9.829 -0.204 1.00 0.00 C ATOM 389 CG ASN A 26 3.846 -10.932 -1.052 1.00 0.00 C ATOM 390 OD1 ASN A 26 3.176 -11.876 -1.470 1.00 0.00 O ATOM 391 ND2 ASN A 26 5.144 -10.828 -1.289 1.00 0.00 N ATOM 0 H ASN A 26 1.328 -11.546 -0.913 1.00 0.00 H new ATOM 0 HA ASN A 26 1.383 -8.817 0.200 1.00 0.00 H new ATOM 0 HB2 ASN A 26 3.801 -8.914 -0.341 1.00 0.00 H new ATOM 0 HB3 ASN A 26 3.308 -10.104 0.847 1.00 0.00 H new ATOM 0 HD21 ASN A 26 5.622 -11.545 -1.835 1.00 0.00 H new ATOM 0 HD22 ASN A 26 5.666 -10.031 -0.926 1.00 0.00 H new ATOM 398 N ARG A 27 1.061 -7.745 -1.973 1.00 0.00 N ATOM 399 CA ARG A 27 0.846 -7.058 -3.235 1.00 0.00 C ATOM 400 C ARG A 27 1.936 -6.023 -3.443 1.00 0.00 C ATOM 401 O ARG A 27 2.372 -5.375 -2.490 1.00 0.00 O ATOM 402 CB ARG A 27 -0.537 -6.408 -3.241 1.00 0.00 C ATOM 403 CG ARG A 27 -1.633 -7.366 -2.805 1.00 0.00 C ATOM 404 CD ARG A 27 -3.010 -6.729 -2.855 1.00 0.00 C ATOM 405 NE ARG A 27 -3.992 -7.553 -2.162 1.00 0.00 N ATOM 406 CZ ARG A 27 -5.048 -8.117 -2.736 1.00 0.00 C ATOM 407 NH1 ARG A 27 -5.258 -7.971 -4.038 1.00 0.00 N ATOM 408 NH2 ARG A 27 -5.885 -8.837 -1.998 1.00 0.00 N ATOM 0 H ARG A 27 0.749 -7.225 -1.153 1.00 0.00 H new ATOM 0 HA ARG A 27 0.890 -7.774 -4.056 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -0.531 -5.543 -2.578 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -0.758 -6.041 -4.243 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.619 -8.247 -3.447 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.430 -7.708 -1.790 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -2.974 -5.740 -2.399 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -3.313 -6.591 -3.893 1.00 0.00 H new ATOM 0 HE ARG A 27 -3.858 -7.708 -1.163 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -4.607 -7.424 -4.601 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -6.070 -8.406 -4.475 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.714 -8.953 -0.999 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -6.699 -9.274 -2.430 1.00 0.00 H new ATOM 422 N TYR A 28 2.391 -5.887 -4.676 1.00 0.00 N ATOM 423 CA TYR A 28 3.453 -4.946 -4.991 1.00 0.00 C ATOM 424 C TYR A 28 2.883 -3.542 -5.109 1.00 0.00 C ATOM 425 O TYR A 28 2.090 -3.257 -6.009 1.00 0.00 O ATOM 426 CB TYR A 28 4.159 -5.349 -6.291 1.00 0.00 C ATOM 427 CG TYR A 28 5.358 -4.489 -6.635 1.00 0.00 C ATOM 428 CD1 TYR A 28 6.606 -4.758 -6.089 1.00 0.00 C ATOM 429 CD2 TYR A 28 5.240 -3.412 -7.505 1.00 0.00 C ATOM 430 CE1 TYR A 28 7.705 -3.981 -6.401 1.00 0.00 C ATOM 431 CE2 TYR A 28 6.334 -2.630 -7.823 1.00 0.00 C ATOM 432 CZ TYR A 28 7.563 -2.918 -7.268 1.00 0.00 C ATOM 433 OH TYR A 28 8.656 -2.144 -7.585 1.00 0.00 O ATOM 0 H TYR A 28 2.042 -6.416 -5.476 1.00 0.00 H new ATOM 0 HA TYR A 28 4.187 -4.961 -4.185 1.00 0.00 H new ATOM 0 HB2 TYR A 28 4.481 -6.387 -6.210 1.00 0.00 H new ATOM 0 HB3 TYR A 28 3.443 -5.300 -7.111 1.00 0.00 H new ATOM 0 HD1 TYR A 28 6.720 -5.589 -5.409 1.00 0.00 H new ATOM 0 HD2 TYR A 28 4.278 -3.183 -7.939 1.00 0.00 H new ATOM 0 HE1 TYR A 28 8.669 -4.205 -5.969 1.00 0.00 H new ATOM 0 HE2 TYR A 28 6.227 -1.798 -8.503 1.00 0.00 H new ATOM 0 HH TYR A 28 8.929 -1.625 -6.799 1.00 0.00 H new ATOM 443 N PHE A 29 3.272 -2.675 -4.191 1.00 0.00 N ATOM 444 CA PHE A 29 2.792 -1.306 -4.197 1.00 0.00 C ATOM 445 C PHE A 29 3.866 -0.351 -4.677 1.00 0.00 C ATOM 446 O PHE A 29 5.065 -0.609 -4.551 1.00 0.00 O ATOM 447 CB PHE A 29 2.303 -0.878 -2.814 1.00 0.00 C ATOM 448 CG PHE A 29 0.982 -1.475 -2.424 1.00 0.00 C ATOM 449 CD1 PHE A 29 0.887 -2.801 -2.041 1.00 0.00 C ATOM 450 CD2 PHE A 29 -0.168 -0.705 -2.437 1.00 0.00 C ATOM 451 CE1 PHE A 29 -0.328 -3.349 -1.681 1.00 0.00 C ATOM 452 CE2 PHE A 29 -1.386 -1.247 -2.077 1.00 0.00 C ATOM 453 CZ PHE A 29 -1.466 -2.570 -1.700 1.00 0.00 C ATOM 0 H PHE A 29 3.918 -2.895 -3.433 1.00 0.00 H new ATOM 0 HA PHE A 29 1.951 -1.267 -4.889 1.00 0.00 H new ATOM 0 HB2 PHE A 29 3.051 -1.159 -2.072 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.221 0.209 -2.789 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.775 -3.416 -2.023 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.112 0.332 -2.732 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.387 -4.386 -1.385 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -2.275 -0.634 -2.091 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.418 -2.996 -1.420 1.00 0.00 H new ATOM 463 N HIS A 30 3.408 0.753 -5.222 1.00 0.00 N ATOM 464 CA HIS A 30 4.270 1.802 -5.720 1.00 0.00 C ATOM 465 C HIS A 30 3.556 3.132 -5.520 1.00 0.00 C ATOM 466 O HIS A 30 2.342 3.211 -5.711 1.00 0.00 O ATOM 467 CB HIS A 30 4.594 1.554 -7.201 1.00 0.00 C ATOM 468 CG HIS A 30 5.547 2.546 -7.807 1.00 0.00 C ATOM 469 ND1 HIS A 30 5.205 3.354 -8.868 1.00 0.00 N ATOM 470 CD2 HIS A 30 6.827 2.858 -7.500 1.00 0.00 C ATOM 471 CE1 HIS A 30 6.226 4.123 -9.183 1.00 0.00 C ATOM 472 NE2 HIS A 30 7.225 3.845 -8.370 1.00 0.00 N ATOM 0 H HIS A 30 2.414 0.951 -5.334 1.00 0.00 H new ATOM 0 HA HIS A 30 5.216 1.817 -5.179 1.00 0.00 H new ATOM 0 HB2 HIS A 30 5.016 0.554 -7.305 1.00 0.00 H new ATOM 0 HB3 HIS A 30 3.665 1.568 -7.770 1.00 0.00 H new ATOM 0 HD2 HIS A 30 7.425 2.414 -6.717 1.00 0.00 H new ATOM 0 HE1 HIS A 30 6.242 4.858 -9.974 1.00 0.00 H new ATOM 0 HE2 HIS A 30 8.143 4.289 -8.384 1.00 0.00 H new ATOM 481 N VAL A 31 4.309 4.159 -5.132 1.00 0.00 N ATOM 482 CA VAL A 31 3.748 5.472 -4.774 1.00 0.00 C ATOM 483 C VAL A 31 2.834 6.047 -5.871 1.00 0.00 C ATOM 484 O VAL A 31 2.018 6.928 -5.611 1.00 0.00 O ATOM 485 CB VAL A 31 4.880 6.479 -4.449 1.00 0.00 C ATOM 486 CG1 VAL A 31 5.710 6.792 -5.689 1.00 0.00 C ATOM 487 CG2 VAL A 31 4.320 7.754 -3.830 1.00 0.00 C ATOM 0 H VAL A 31 5.325 4.111 -5.055 1.00 0.00 H new ATOM 0 HA VAL A 31 3.133 5.316 -3.888 1.00 0.00 H new ATOM 0 HB VAL A 31 5.538 6.013 -3.716 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.497 7.501 -5.431 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.159 5.874 -6.068 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.069 7.225 -6.456 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.137 8.442 -3.612 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.627 8.223 -4.528 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.795 7.510 -2.906 1.00 0.00 H new ATOM 497 N ILE A 32 2.962 5.523 -7.086 1.00 0.00 N ATOM 498 CA ILE A 32 2.171 5.984 -8.219 1.00 0.00 C ATOM 499 C ILE A 32 0.663 5.866 -7.945 1.00 0.00 C ATOM 500 O ILE A 32 -0.110 6.752 -8.297 1.00 0.00 O ATOM 501 CB ILE A 32 2.528 5.185 -9.496 1.00 0.00 C ATOM 502 CG1 ILE A 32 1.808 5.758 -10.705 1.00 0.00 C ATOM 503 CG2 ILE A 32 2.190 3.707 -9.342 1.00 0.00 C ATOM 504 CD1 ILE A 32 2.371 7.083 -11.174 1.00 0.00 C ATOM 0 H ILE A 32 3.613 4.771 -7.311 1.00 0.00 H new ATOM 0 HA ILE A 32 2.411 7.036 -8.371 1.00 0.00 H new ATOM 0 HB ILE A 32 3.604 5.274 -9.647 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.862 5.040 -11.523 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.753 5.886 -10.462 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.454 3.176 -10.257 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.752 3.290 -8.506 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.122 3.596 -9.153 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.808 7.431 -12.040 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.293 7.816 -10.371 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.418 6.957 -11.449 1.00 0.00 H new ATOM 516 N LYS A 33 0.262 4.776 -7.300 1.00 0.00 N ATOM 517 CA LYS A 33 -1.152 4.499 -7.051 1.00 0.00 C ATOM 518 C LYS A 33 -1.607 5.047 -5.701 1.00 0.00 C ATOM 519 O LYS A 33 -2.756 4.852 -5.301 1.00 0.00 O ATOM 520 CB LYS A 33 -1.411 2.990 -7.107 1.00 0.00 C ATOM 521 CG LYS A 33 -1.077 2.361 -8.450 1.00 0.00 C ATOM 522 CD LYS A 33 -1.937 2.938 -9.563 1.00 0.00 C ATOM 523 CE LYS A 33 -1.543 2.381 -10.920 1.00 0.00 C ATOM 524 NZ LYS A 33 -2.375 2.944 -12.016 1.00 0.00 N ATOM 0 H LYS A 33 0.898 4.066 -6.938 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.726 5.001 -7.830 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.823 2.501 -6.331 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.460 2.802 -6.879 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -0.024 2.526 -8.679 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -1.226 1.283 -8.395 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -2.985 2.713 -9.367 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -1.840 4.024 -9.573 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -0.493 2.602 -11.112 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -1.643 1.296 -10.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.073 2.538 -12.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -3.375 2.711 -11.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.260 3.977 -12.044 1.00 0.00 H new ATOM 538 N VAL A 34 -0.711 5.730 -5.003 1.00 0.00 N ATOM 539 CA VAL A 34 -1.030 6.286 -3.697 1.00 0.00 C ATOM 540 C VAL A 34 -1.343 7.773 -3.823 1.00 0.00 C ATOM 541 O VAL A 34 -0.555 8.535 -4.386 1.00 0.00 O ATOM 542 CB VAL A 34 0.124 6.090 -2.692 1.00 0.00 C ATOM 543 CG1 VAL A 34 -0.283 6.567 -1.307 1.00 0.00 C ATOM 544 CG2 VAL A 34 0.567 4.633 -2.649 1.00 0.00 C ATOM 0 H VAL A 34 0.242 5.912 -5.319 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.903 5.752 -3.320 1.00 0.00 H new ATOM 0 HB VAL A 34 0.969 6.691 -3.028 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.545 6.420 -0.614 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.539 7.626 -1.347 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.148 5.998 -0.966 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.381 4.521 -1.933 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.272 4.007 -2.345 1.00 0.00 H new ATOM 0 HG23 VAL A 34 0.909 4.327 -3.638 1.00 0.00 H new ATOM 554 N ALA A 35 -2.494 8.179 -3.308 1.00 0.00 N ATOM 555 CA ALA A 35 -2.921 9.567 -3.405 1.00 0.00 C ATOM 556 C ALA A 35 -2.374 10.398 -2.249 1.00 0.00 C ATOM 557 O ALA A 35 -2.121 11.594 -2.397 1.00 0.00 O ATOM 558 CB ALA A 35 -4.438 9.649 -3.443 1.00 0.00 C ATOM 0 H ALA A 35 -3.148 7.568 -2.819 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.520 9.978 -4.331 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.744 10.693 -3.516 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.810 9.100 -4.308 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -4.849 9.213 -2.532 1.00 0.00 H new ATOM 564 N ASN A 36 -2.186 9.760 -1.103 1.00 0.00 N ATOM 565 CA ASN A 36 -1.722 10.452 0.094 1.00 0.00 C ATOM 566 C ASN A 36 -0.409 9.852 0.612 1.00 0.00 C ATOM 567 O ASN A 36 -0.404 8.982 1.483 1.00 0.00 O ATOM 568 CB ASN A 36 -2.816 10.443 1.181 1.00 0.00 C ATOM 569 CG ASN A 36 -3.371 9.055 1.499 1.00 0.00 C ATOM 570 OD1 ASN A 36 -3.305 8.130 0.690 1.00 0.00 O ATOM 571 ND2 ASN A 36 -3.960 8.911 2.677 1.00 0.00 N ATOM 0 H ASN A 36 -2.348 8.761 -0.975 1.00 0.00 H new ATOM 0 HA ASN A 36 -1.518 11.490 -0.170 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -2.409 10.877 2.094 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -3.636 11.085 0.861 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -4.374 8.015 2.934 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -3.999 9.696 3.327 1.00 0.00 H new ATOM 578 N PRO A 37 0.731 10.316 0.060 1.00 0.00 N ATOM 579 CA PRO A 37 2.055 9.769 0.377 1.00 0.00 C ATOM 580 C PRO A 37 2.635 10.285 1.696 1.00 0.00 C ATOM 581 O PRO A 37 3.534 9.670 2.271 1.00 0.00 O ATOM 582 CB PRO A 37 2.906 10.242 -0.799 1.00 0.00 C ATOM 583 CG PRO A 37 2.287 11.531 -1.217 1.00 0.00 C ATOM 584 CD PRO A 37 0.812 11.409 -0.931 1.00 0.00 C ATOM 0 HA PRO A 37 2.019 8.688 0.509 1.00 0.00 H new ATOM 0 HB2 PRO A 37 3.947 10.379 -0.505 1.00 0.00 H new ATOM 0 HB3 PRO A 37 2.897 9.516 -1.612 1.00 0.00 H new ATOM 0 HG2 PRO A 37 2.721 12.366 -0.667 1.00 0.00 H new ATOM 0 HG3 PRO A 37 2.463 11.721 -2.276 1.00 0.00 H new ATOM 0 HD2 PRO A 37 0.404 12.339 -0.535 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.248 11.173 -1.833 1.00 0.00 H new ATOM 592 N ASP A 38 2.120 11.406 2.182 1.00 0.00 N ATOM 593 CA ASP A 38 2.619 11.997 3.422 1.00 0.00 C ATOM 594 C ASP A 38 1.989 11.302 4.617 1.00 0.00 C ATOM 595 O ASP A 38 2.553 11.263 5.710 1.00 0.00 O ATOM 596 CB ASP A 38 2.317 13.500 3.466 1.00 0.00 C ATOM 597 CG ASP A 38 2.816 14.160 4.740 1.00 0.00 C ATOM 598 OD1 ASP A 38 4.046 14.267 4.919 1.00 0.00 O ATOM 599 OD2 ASP A 38 1.979 14.586 5.567 1.00 0.00 O ATOM 0 H ASP A 38 1.360 11.925 1.741 1.00 0.00 H new ATOM 0 HA ASP A 38 3.700 11.863 3.460 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.778 13.985 2.606 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.241 13.653 3.379 1.00 0.00 H new ATOM 604 N LEU A 39 0.830 10.713 4.382 1.00 0.00 N ATOM 605 CA LEU A 39 0.084 10.045 5.429 1.00 0.00 C ATOM 606 C LEU A 39 0.548 8.606 5.562 1.00 0.00 C ATOM 607 O LEU A 39 0.161 7.898 6.488 1.00 0.00 O ATOM 608 CB LEU A 39 -1.411 10.101 5.125 1.00 0.00 C ATOM 609 CG LEU A 39 -2.027 11.502 5.153 1.00 0.00 C ATOM 610 CD1 LEU A 39 -3.506 11.443 4.804 1.00 0.00 C ATOM 611 CD2 LEU A 39 -1.826 12.145 6.518 1.00 0.00 C ATOM 0 H LEU A 39 0.383 10.685 3.466 1.00 0.00 H new ATOM 0 HA LEU A 39 0.264 10.556 6.375 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.582 9.665 4.141 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.936 9.475 5.847 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.522 12.114 4.406 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.926 12.448 4.829 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.628 11.024 3.805 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.026 10.814 5.527 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.270 13.140 6.520 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.304 11.533 7.283 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.760 12.223 6.730 1.00 0.00 H new ATOM 623 N ILE A 40 1.381 8.189 4.621 1.00 0.00 N ATOM 624 CA ILE A 40 1.975 6.864 4.644 1.00 0.00 C ATOM 625 C ILE A 40 2.903 6.719 5.845 1.00 0.00 C ATOM 626 O ILE A 40 3.982 7.313 5.886 1.00 0.00 O ATOM 627 CB ILE A 40 2.776 6.592 3.353 1.00 0.00 C ATOM 628 CG1 ILE A 40 1.844 6.526 2.142 1.00 0.00 C ATOM 629 CG2 ILE A 40 3.578 5.301 3.475 1.00 0.00 C ATOM 630 CD1 ILE A 40 2.563 6.295 0.830 1.00 0.00 C ATOM 0 H ILE A 40 1.663 8.758 3.823 1.00 0.00 H new ATOM 0 HA ILE A 40 1.163 6.140 4.717 1.00 0.00 H new ATOM 0 HB ILE A 40 3.473 7.418 3.209 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.121 5.725 2.295 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.280 7.457 2.078 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.134 5.130 2.553 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.274 5.383 4.310 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.899 4.466 3.649 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.836 6.260 0.018 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.267 7.108 0.653 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.104 5.350 0.873 1.00 0.00 H new ATOM 642 N LYS A 41 2.472 5.949 6.828 1.00 0.00 N ATOM 643 CA LYS A 41 3.275 5.713 8.014 1.00 0.00 C ATOM 644 C LYS A 41 3.650 4.244 8.101 1.00 0.00 C ATOM 645 O LYS A 41 2.985 3.388 7.515 1.00 0.00 O ATOM 646 CB LYS A 41 2.515 6.129 9.278 1.00 0.00 C ATOM 647 CG LYS A 41 1.981 7.553 9.240 1.00 0.00 C ATOM 648 CD LYS A 41 3.101 8.564 9.063 1.00 0.00 C ATOM 649 CE LYS A 41 2.554 9.971 8.883 1.00 0.00 C ATOM 650 NZ LYS A 41 3.633 10.953 8.602 1.00 0.00 N ATOM 0 H LYS A 41 1.568 5.476 6.828 1.00 0.00 H new ATOM 0 HA LYS A 41 4.181 6.315 7.941 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.681 5.443 9.430 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.176 6.023 10.138 1.00 0.00 H new ATOM 0 HG2 LYS A 41 1.267 7.653 8.423 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.441 7.765 10.163 1.00 0.00 H new ATOM 0 HD2 LYS A 41 3.759 8.536 9.931 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.705 8.293 8.197 1.00 0.00 H new ATOM 0 HE2 LYS A 41 1.834 9.979 8.065 1.00 0.00 H new ATOM 0 HE3 LYS A 41 2.017 10.270 9.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 3.545 11.760 9.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 4.559 10.499 8.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 3.551 11.288 7.621 1.00 0.00 H new ATOM 664 N LYS A 42 4.713 3.950 8.826 1.00 0.00 N ATOM 665 CA LYS A 42 5.140 2.574 9.009 1.00 0.00 C ATOM 666 C LYS A 42 4.155 1.869 9.936 1.00 0.00 C ATOM 667 O LYS A 42 3.728 2.449 10.937 1.00 0.00 O ATOM 668 CB LYS A 42 6.548 2.528 9.607 1.00 0.00 C ATOM 669 CG LYS A 42 7.323 1.262 9.274 1.00 0.00 C ATOM 670 CD LYS A 42 7.902 1.324 7.868 1.00 0.00 C ATOM 671 CE LYS A 42 8.777 0.115 7.566 1.00 0.00 C ATOM 672 NZ LYS A 42 9.517 0.270 6.284 1.00 0.00 N ATOM 0 H LYS A 42 5.296 4.642 9.297 1.00 0.00 H new ATOM 0 HA LYS A 42 5.162 2.070 8.043 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.111 3.390 9.250 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.474 2.622 10.690 1.00 0.00 H new ATOM 0 HG2 LYS A 42 8.128 1.125 9.996 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.666 0.397 9.362 1.00 0.00 H new ATOM 0 HD2 LYS A 42 7.091 1.376 7.142 1.00 0.00 H new ATOM 0 HD3 LYS A 42 8.489 2.235 7.756 1.00 0.00 H new ATOM 0 HE2 LYS A 42 9.488 -0.031 8.380 1.00 0.00 H new ATOM 0 HE3 LYS A 42 8.156 -0.780 7.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 10.330 -0.378 6.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 8.885 0.047 5.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 9.854 1.250 6.194 1.00 0.00 H new ATOM 686 N ASP A 43 3.770 0.642 9.576 1.00 0.00 N ATOM 687 CA ASP A 43 2.837 -0.164 10.379 1.00 0.00 C ATOM 688 C ASP A 43 1.415 0.410 10.318 1.00 0.00 C ATOM 689 O ASP A 43 0.516 -0.027 11.038 1.00 0.00 O ATOM 690 CB ASP A 43 3.332 -0.265 11.836 1.00 0.00 C ATOM 691 CG ASP A 43 2.482 -1.174 12.707 1.00 0.00 C ATOM 692 OD1 ASP A 43 2.531 -2.407 12.513 1.00 0.00 O ATOM 693 OD2 ASP A 43 1.770 -0.658 13.603 1.00 0.00 O ATOM 0 H ASP A 43 4.092 0.179 8.726 1.00 0.00 H new ATOM 0 HA ASP A 43 2.804 -1.169 9.957 1.00 0.00 H new ATOM 0 HB2 ASP A 43 4.359 -0.631 11.837 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.349 0.733 12.275 1.00 0.00 H new ATOM 698 N ALA A 44 1.205 1.378 9.435 1.00 0.00 N ATOM 699 CA ALA A 44 -0.109 1.982 9.270 1.00 0.00 C ATOM 700 C ALA A 44 -0.984 1.125 8.364 1.00 0.00 C ATOM 701 O ALA A 44 -0.494 0.217 7.686 1.00 0.00 O ATOM 702 CB ALA A 44 0.015 3.390 8.710 1.00 0.00 C ATOM 0 H ALA A 44 1.927 1.760 8.824 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.582 2.041 10.250 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.978 3.824 8.594 1.00 0.00 H new ATOM 0 HB2 ALA A 44 0.602 4.003 9.394 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.511 3.353 7.740 1.00 0.00 H new ATOM 708 N ALA A 45 -2.274 1.419 8.349 1.00 0.00 N ATOM 709 CA ALA A 45 -3.222 0.661 7.553 1.00 0.00 C ATOM 710 C ALA A 45 -3.714 1.492 6.379 1.00 0.00 C ATOM 711 O ALA A 45 -3.859 2.710 6.487 1.00 0.00 O ATOM 712 CB ALA A 45 -4.394 0.210 8.411 1.00 0.00 C ATOM 0 H ALA A 45 -2.689 2.182 8.883 1.00 0.00 H new ATOM 0 HA ALA A 45 -2.717 -0.223 7.164 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.096 -0.357 7.799 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -4.030 -0.419 9.223 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.898 1.083 8.827 1.00 0.00 H new ATOM 718 N VAL A 46 -3.956 0.834 5.259 1.00 0.00 N ATOM 719 CA VAL A 46 -4.453 1.508 4.069 1.00 0.00 C ATOM 720 C VAL A 46 -5.646 0.761 3.491 1.00 0.00 C ATOM 721 O VAL A 46 -5.860 -0.413 3.794 1.00 0.00 O ATOM 722 CB VAL A 46 -3.366 1.626 2.974 1.00 0.00 C ATOM 723 CG1 VAL A 46 -2.167 2.409 3.474 1.00 0.00 C ATOM 724 CG2 VAL A 46 -2.936 0.252 2.488 1.00 0.00 C ATOM 0 H VAL A 46 -3.816 -0.170 5.147 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.750 2.511 4.377 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.800 2.169 2.135 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.420 2.475 2.683 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.482 3.412 3.761 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.736 1.903 4.338 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.171 0.361 1.719 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.531 -0.319 3.323 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.796 -0.273 2.073 1.00 0.00 H new ATOM 734 N THR A 47 -6.424 1.451 2.678 1.00 0.00 N ATOM 735 CA THR A 47 -7.500 0.828 1.932 1.00 0.00 C ATOM 736 C THR A 47 -7.235 1.026 0.449 1.00 0.00 C ATOM 737 O THR A 47 -6.596 2.005 0.056 1.00 0.00 O ATOM 738 CB THR A 47 -8.871 1.425 2.283 1.00 0.00 C ATOM 739 OG1 THR A 47 -8.877 1.864 3.648 1.00 0.00 O ATOM 740 CG2 THR A 47 -9.977 0.399 2.085 1.00 0.00 C ATOM 0 H THR A 47 -6.328 2.454 2.517 1.00 0.00 H new ATOM 0 HA THR A 47 -7.527 -0.230 2.192 1.00 0.00 H new ATOM 0 HB THR A 47 -9.052 2.271 1.620 1.00 0.00 H new ATOM 0 HG1 THR A 47 -9.753 2.245 3.865 1.00 0.00 H new ATOM 0 HG21 THR A 47 -10.938 0.846 2.340 1.00 0.00 H new ATOM 0 HG22 THR A 47 -9.992 0.076 1.044 1.00 0.00 H new ATOM 0 HG23 THR A 47 -9.795 -0.461 2.729 1.00 0.00 H new ATOM 748 N PHE A 48 -7.719 0.112 -0.367 1.00 0.00 N ATOM 749 CA PHE A 48 -7.404 0.125 -1.788 1.00 0.00 C ATOM 750 C PHE A 48 -8.309 -0.811 -2.566 1.00 0.00 C ATOM 751 O PHE A 48 -9.098 -1.563 -1.985 1.00 0.00 O ATOM 752 CB PHE A 48 -5.940 -0.282 -2.006 1.00 0.00 C ATOM 753 CG PHE A 48 -5.550 -1.564 -1.306 1.00 0.00 C ATOM 754 CD1 PHE A 48 -5.902 -2.801 -1.830 1.00 0.00 C ATOM 755 CD2 PHE A 48 -4.831 -1.530 -0.120 1.00 0.00 C ATOM 756 CE1 PHE A 48 -5.546 -3.972 -1.187 1.00 0.00 C ATOM 757 CE2 PHE A 48 -4.474 -2.698 0.527 1.00 0.00 C ATOM 758 CZ PHE A 48 -4.832 -3.921 -0.007 1.00 0.00 C ATOM 0 H PHE A 48 -8.331 -0.650 -0.075 1.00 0.00 H new ATOM 0 HA PHE A 48 -7.564 1.139 -2.154 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -5.760 -0.394 -3.075 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -5.293 0.523 -1.656 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.462 -2.849 -2.753 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -4.546 -0.578 0.303 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -5.827 -4.926 -1.608 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -3.915 -2.655 1.450 1.00 0.00 H new ATOM 0 HZ PHE A 48 -4.554 -4.834 0.498 1.00 0.00 H new ATOM 768 N GLU A 49 -8.175 -0.757 -3.880 1.00 0.00 N ATOM 769 CA GLU A 49 -8.863 -1.670 -4.770 1.00 0.00 C ATOM 770 C GLU A 49 -7.870 -2.702 -5.299 1.00 0.00 C ATOM 771 O GLU A 49 -6.725 -2.366 -5.605 1.00 0.00 O ATOM 772 CB GLU A 49 -9.477 -0.880 -5.926 1.00 0.00 C ATOM 773 CG GLU A 49 -10.985 -0.748 -5.859 1.00 0.00 C ATOM 774 CD GLU A 49 -11.690 -1.947 -6.455 1.00 0.00 C ATOM 775 OE1 GLU A 49 -11.698 -2.074 -7.697 1.00 0.00 O ATOM 776 OE2 GLU A 49 -12.227 -2.770 -5.695 1.00 0.00 O ATOM 0 H GLU A 49 -7.584 -0.077 -4.359 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.658 -2.188 -4.233 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.037 0.117 -5.943 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.208 -1.364 -6.865 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.292 -0.627 -4.820 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.293 0.153 -6.389 1.00 0.00 H new ATOM 783 N PRO A 50 -8.291 -3.963 -5.428 1.00 0.00 N ATOM 784 CA PRO A 50 -7.429 -5.044 -5.867 1.00 0.00 C ATOM 785 C PRO A 50 -7.474 -5.285 -7.373 1.00 0.00 C ATOM 786 O PRO A 50 -8.523 -5.159 -8.011 1.00 0.00 O ATOM 787 CB PRO A 50 -7.991 -6.257 -5.119 1.00 0.00 C ATOM 788 CG PRO A 50 -9.388 -5.889 -4.706 1.00 0.00 C ATOM 789 CD PRO A 50 -9.630 -4.458 -5.119 1.00 0.00 C ATOM 0 HA PRO A 50 -6.381 -4.828 -5.660 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -7.995 -7.140 -5.758 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -7.379 -6.495 -4.249 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -10.113 -6.551 -5.180 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -9.510 -6.001 -3.629 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -10.291 -4.396 -5.984 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -10.096 -3.883 -4.319 1.00 0.00 H new ATOM 797 N THR A 51 -6.323 -5.625 -7.928 1.00 0.00 N ATOM 798 CA THR A 51 -6.215 -6.004 -9.324 1.00 0.00 C ATOM 799 C THR A 51 -5.039 -6.956 -9.500 1.00 0.00 C ATOM 800 O THR A 51 -4.071 -6.904 -8.739 1.00 0.00 O ATOM 801 CB THR A 51 -6.041 -4.771 -10.246 1.00 0.00 C ATOM 802 OG1 THR A 51 -5.896 -5.189 -11.612 1.00 0.00 O ATOM 803 CG2 THR A 51 -4.832 -3.936 -9.836 1.00 0.00 C ATOM 0 H THR A 51 -5.438 -5.646 -7.422 1.00 0.00 H new ATOM 0 HA THR A 51 -7.142 -6.499 -9.612 1.00 0.00 H new ATOM 0 HB THR A 51 -6.934 -4.154 -10.146 1.00 0.00 H new ATOM 0 HG1 THR A 51 -5.788 -4.402 -12.185 1.00 0.00 H new ATOM 0 HG21 THR A 51 -4.739 -3.079 -10.503 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.962 -3.586 -8.812 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.930 -4.545 -9.900 1.00 0.00 H new ATOM 811 N THR A 52 -5.116 -7.832 -10.481 1.00 0.00 N ATOM 812 CA THR A 52 -4.018 -8.741 -10.736 1.00 0.00 C ATOM 813 C THR A 52 -3.062 -8.113 -11.741 1.00 0.00 C ATOM 814 O THR A 52 -3.447 -7.222 -12.503 1.00 0.00 O ATOM 815 CB THR A 52 -4.515 -10.101 -11.263 1.00 0.00 C ATOM 816 OG1 THR A 52 -5.685 -10.511 -10.539 1.00 0.00 O ATOM 817 CG2 THR A 52 -3.436 -11.167 -11.120 1.00 0.00 C ATOM 0 H THR A 52 -5.915 -7.934 -11.107 1.00 0.00 H new ATOM 0 HA THR A 52 -3.501 -8.921 -9.793 1.00 0.00 H new ATOM 0 HB THR A 52 -4.758 -9.986 -12.319 1.00 0.00 H new ATOM 0 HG1 THR A 52 -5.995 -11.375 -10.881 1.00 0.00 H new ATOM 0 HG21 THR A 52 -3.811 -12.118 -11.499 1.00 0.00 H new ATOM 0 HG22 THR A 52 -2.555 -10.872 -11.690 1.00 0.00 H new ATOM 0 HG23 THR A 52 -3.169 -11.275 -10.069 1.00 0.00 H new ATOM 825 N ASN A 53 -1.821 -8.556 -11.717 1.00 0.00 N ATOM 826 CA ASN A 53 -0.801 -8.038 -12.607 1.00 0.00 C ATOM 827 C ASN A 53 0.010 -9.197 -13.167 1.00 0.00 C ATOM 828 O ASN A 53 -0.165 -10.341 -12.750 1.00 0.00 O ATOM 829 CB ASN A 53 0.108 -7.069 -11.854 1.00 0.00 C ATOM 830 CG ASN A 53 0.798 -6.110 -12.796 1.00 0.00 C ATOM 831 OD1 ASN A 53 1.924 -6.343 -13.231 1.00 0.00 O ATOM 832 ND2 ASN A 53 0.112 -5.033 -13.130 1.00 0.00 N ATOM 0 H ASN A 53 -1.492 -9.283 -11.082 1.00 0.00 H new ATOM 0 HA ASN A 53 -1.273 -7.499 -13.429 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -0.480 -6.507 -11.128 1.00 0.00 H new ATOM 0 HB3 ASN A 53 0.855 -7.631 -11.294 1.00 0.00 H new ATOM 0 HD21 ASN A 53 0.514 -4.352 -13.775 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -0.820 -4.882 -12.744 1.00 0.00 H new ATOM 839 N ASN A 54 0.905 -8.902 -14.097 1.00 0.00 N ATOM 840 CA ASN A 54 1.733 -9.931 -14.716 1.00 0.00 C ATOM 841 C ASN A 54 2.760 -10.468 -13.726 1.00 0.00 C ATOM 842 O ASN A 54 3.298 -11.562 -13.903 1.00 0.00 O ATOM 843 CB ASN A 54 2.458 -9.371 -15.942 1.00 0.00 C ATOM 844 CG ASN A 54 1.513 -8.801 -16.983 1.00 0.00 C ATOM 845 OD1 ASN A 54 0.378 -9.259 -17.136 1.00 0.00 O ATOM 846 ND2 ASN A 54 1.973 -7.794 -17.705 1.00 0.00 N ATOM 0 H ASN A 54 1.078 -7.958 -14.442 1.00 0.00 H new ATOM 0 HA ASN A 54 1.077 -10.745 -15.025 1.00 0.00 H new ATOM 0 HB2 ASN A 54 3.150 -8.592 -15.623 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.055 -10.162 -16.396 1.00 0.00 H new ATOM 0 HD21 ASN A 54 1.383 -7.367 -18.419 1.00 0.00 H new ATOM 0 HD22 ASN A 54 2.918 -7.444 -17.548 1.00 0.00 H new ATOM 853 N LYS A 55 3.024 -9.688 -12.686 1.00 0.00 N ATOM 854 CA LYS A 55 4.061 -10.010 -11.724 1.00 0.00 C ATOM 855 C LYS A 55 3.486 -10.360 -10.351 1.00 0.00 C ATOM 856 O LYS A 55 4.217 -10.416 -9.363 1.00 0.00 O ATOM 857 CB LYS A 55 5.006 -8.819 -11.617 1.00 0.00 C ATOM 858 CG LYS A 55 4.297 -7.492 -11.384 1.00 0.00 C ATOM 859 CD LYS A 55 5.244 -6.315 -11.545 1.00 0.00 C ATOM 860 CE LYS A 55 4.520 -4.991 -11.370 1.00 0.00 C ATOM 861 NZ LYS A 55 5.414 -3.833 -11.629 1.00 0.00 N ATOM 0 H LYS A 55 2.526 -8.820 -12.489 1.00 0.00 H new ATOM 0 HA LYS A 55 4.598 -10.893 -12.072 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.706 -8.995 -10.800 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.594 -8.750 -12.532 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.470 -7.393 -12.087 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.867 -7.480 -10.382 1.00 0.00 H new ATOM 0 HD2 LYS A 55 6.048 -6.391 -10.813 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.706 -6.351 -12.531 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.668 -4.951 -12.048 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.124 -4.925 -10.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.883 -2.948 -11.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.214 -3.857 -10.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.772 -3.882 -12.604 1.00 0.00 H new ATOM 875 N GLY A 56 2.185 -10.597 -10.290 1.00 0.00 N ATOM 876 CA GLY A 56 1.558 -10.974 -9.038 1.00 0.00 C ATOM 877 C GLY A 56 0.317 -10.159 -8.759 1.00 0.00 C ATOM 878 O GLY A 56 -0.305 -9.636 -9.683 1.00 0.00 O ATOM 0 H GLY A 56 1.550 -10.535 -11.086 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.298 -12.032 -9.067 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.269 -10.843 -8.222 1.00 0.00 H new ATOM 882 N LEU A 57 -0.047 -10.046 -7.492 1.00 0.00 N ATOM 883 CA LEU A 57 -1.193 -9.249 -7.099 1.00 0.00 C ATOM 884 C LEU A 57 -0.794 -7.793 -6.904 1.00 0.00 C ATOM 885 O LEU A 57 0.331 -7.486 -6.501 1.00 0.00 O ATOM 886 CB LEU A 57 -1.827 -9.804 -5.823 1.00 0.00 C ATOM 887 CG LEU A 57 -2.581 -11.126 -5.994 1.00 0.00 C ATOM 888 CD1 LEU A 57 -3.245 -11.535 -4.686 1.00 0.00 C ATOM 889 CD2 LEU A 57 -3.618 -11.009 -7.102 1.00 0.00 C ATOM 0 H LEU A 57 0.438 -10.499 -6.717 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.931 -9.300 -7.899 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.044 -9.944 -5.078 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.516 -9.059 -5.425 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.863 -11.897 -6.273 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.776 -12.476 -4.826 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.484 -11.659 -3.915 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.950 -10.763 -4.379 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.144 -11.958 -7.210 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.332 -10.225 -6.851 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.122 -10.761 -8.040 1.00 0.00 H new ATOM 901 N SER A 58 -1.726 -6.905 -7.190 1.00 0.00 N ATOM 902 CA SER A 58 -1.473 -5.479 -7.142 1.00 0.00 C ATOM 903 C SER A 58 -2.712 -4.727 -6.673 1.00 0.00 C ATOM 904 O SER A 58 -3.796 -5.308 -6.553 1.00 0.00 O ATOM 905 CB SER A 58 -1.030 -4.980 -8.518 1.00 0.00 C ATOM 906 OG SER A 58 -1.680 -5.695 -9.555 1.00 0.00 O ATOM 0 H SER A 58 -2.678 -7.151 -7.462 1.00 0.00 H new ATOM 0 HA SER A 58 -0.673 -5.291 -6.426 1.00 0.00 H new ATOM 0 HB2 SER A 58 -1.252 -3.917 -8.611 1.00 0.00 H new ATOM 0 HB3 SER A 58 0.050 -5.090 -8.618 1.00 0.00 H new ATOM 0 HG SER A 58 -2.536 -6.041 -9.227 1.00 0.00 H new ATOM 912 N ALA A 59 -2.547 -3.452 -6.376 1.00 0.00 N ATOM 913 CA ALA A 59 -3.654 -2.636 -5.903 1.00 0.00 C ATOM 914 C ALA A 59 -3.554 -1.210 -6.431 1.00 0.00 C ATOM 915 O ALA A 59 -2.464 -0.737 -6.754 1.00 0.00 O ATOM 916 CB ALA A 59 -3.692 -2.640 -4.387 1.00 0.00 C ATOM 0 H ALA A 59 -1.658 -2.957 -6.453 1.00 0.00 H new ATOM 0 HA ALA A 59 -4.581 -3.066 -6.282 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.524 -2.026 -4.042 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.822 -3.661 -4.029 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -2.757 -2.235 -3.999 1.00 0.00 H new ATOM 922 N TYR A 60 -4.696 -0.542 -6.528 1.00 0.00 N ATOM 923 CA TYR A 60 -4.739 0.851 -6.950 1.00 0.00 C ATOM 924 C TYR A 60 -5.690 1.637 -6.067 1.00 0.00 C ATOM 925 O TYR A 60 -6.351 1.064 -5.195 1.00 0.00 O ATOM 926 CB TYR A 60 -5.154 0.986 -8.421 1.00 0.00 C ATOM 927 CG TYR A 60 -6.572 0.538 -8.733 1.00 0.00 C ATOM 928 CD1 TYR A 60 -6.898 -0.810 -8.863 1.00 0.00 C ATOM 929 CD2 TYR A 60 -7.587 1.472 -8.904 1.00 0.00 C ATOM 930 CE1 TYR A 60 -8.192 -1.208 -9.153 1.00 0.00 C ATOM 931 CE2 TYR A 60 -8.879 1.083 -9.193 1.00 0.00 C ATOM 932 CZ TYR A 60 -9.180 -0.256 -9.318 1.00 0.00 C ATOM 933 OH TYR A 60 -10.473 -0.640 -9.601 1.00 0.00 O ATOM 0 H TYR A 60 -5.609 -0.945 -6.319 1.00 0.00 H new ATOM 0 HA TYR A 60 -3.733 1.258 -6.849 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -5.045 2.029 -8.719 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -4.463 0.406 -9.032 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -6.129 -1.557 -8.735 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -7.360 2.524 -8.809 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -8.428 -2.257 -9.250 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -9.652 1.826 -9.321 1.00 0.00 H new ATOM 0 HH TYR A 60 -10.749 -1.344 -8.977 1.00 0.00 H new ATOM 943 N ALA A 61 -5.765 2.938 -6.320 1.00 0.00 N ATOM 944 CA ALA A 61 -6.573 3.849 -5.510 1.00 0.00 C ATOM 945 C ALA A 61 -6.197 3.726 -4.034 1.00 0.00 C ATOM 946 O ALA A 61 -7.060 3.739 -3.152 1.00 0.00 O ATOM 947 CB ALA A 61 -8.061 3.574 -5.718 1.00 0.00 C ATOM 0 H ALA A 61 -5.271 3.392 -7.088 1.00 0.00 H new ATOM 0 HA ALA A 61 -6.370 4.871 -5.829 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -8.647 4.261 -5.107 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -8.314 3.716 -6.769 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -8.286 2.548 -5.426 1.00 0.00 H new ATOM 953 N VAL A 62 -4.897 3.635 -3.776 1.00 0.00 N ATOM 954 CA VAL A 62 -4.393 3.383 -2.437 1.00 0.00 C ATOM 955 C VAL A 62 -4.498 4.629 -1.567 1.00 0.00 C ATOM 956 O VAL A 62 -3.832 5.638 -1.814 1.00 0.00 O ATOM 957 CB VAL A 62 -2.925 2.906 -2.469 1.00 0.00 C ATOM 958 CG1 VAL A 62 -2.456 2.515 -1.076 1.00 0.00 C ATOM 959 CG2 VAL A 62 -2.760 1.746 -3.439 1.00 0.00 C ATOM 0 H VAL A 62 -4.170 3.733 -4.485 1.00 0.00 H new ATOM 0 HA VAL A 62 -5.011 2.594 -2.008 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.304 3.732 -2.816 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.419 2.182 -1.121 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.532 3.376 -0.412 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.080 1.707 -0.695 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.719 1.424 -3.447 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.394 0.916 -3.125 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.049 2.065 -4.440 1.00 0.00 H new ATOM 969 N LYS A 63 -5.358 4.561 -0.567 1.00 0.00 N ATOM 970 CA LYS A 63 -5.516 5.642 0.373 1.00 0.00 C ATOM 971 C LYS A 63 -5.117 5.168 1.769 1.00 0.00 C ATOM 972 O LYS A 63 -5.605 4.146 2.262 1.00 0.00 O ATOM 973 CB LYS A 63 -6.963 6.138 0.347 1.00 0.00 C ATOM 974 CG LYS A 63 -7.969 5.147 0.904 1.00 0.00 C ATOM 975 CD LYS A 63 -9.371 5.391 0.372 1.00 0.00 C ATOM 976 CE LYS A 63 -9.493 4.992 -1.091 1.00 0.00 C ATOM 977 NZ LYS A 63 -10.908 4.979 -1.542 1.00 0.00 N ATOM 0 H LYS A 63 -5.961 3.758 -0.389 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.867 6.473 0.097 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.028 7.065 0.917 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.235 6.377 -0.681 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.657 4.134 0.650 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.978 5.214 1.992 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -10.089 4.825 0.965 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -9.625 6.445 0.485 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.922 5.687 -1.706 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.056 4.004 -1.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.951 4.703 -2.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -11.448 4.297 -0.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -11.318 5.928 -1.427 1.00 0.00 H new ATOM 991 N VAL A 64 -4.198 5.886 2.384 1.00 0.00 N ATOM 992 CA VAL A 64 -3.748 5.549 3.726 1.00 0.00 C ATOM 993 C VAL A 64 -4.784 5.985 4.759 1.00 0.00 C ATOM 994 O VAL A 64 -5.482 6.983 4.557 1.00 0.00 O ATOM 995 CB VAL A 64 -2.388 6.207 4.045 1.00 0.00 C ATOM 996 CG1 VAL A 64 -1.825 5.688 5.359 1.00 0.00 C ATOM 997 CG2 VAL A 64 -1.405 5.971 2.910 1.00 0.00 C ATOM 0 H VAL A 64 -3.747 6.706 1.979 1.00 0.00 H new ATOM 0 HA VAL A 64 -3.625 4.467 3.771 1.00 0.00 H new ATOM 0 HB VAL A 64 -2.546 7.280 4.149 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.867 6.168 5.559 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.520 5.914 6.167 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -1.684 4.609 5.293 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.452 6.441 3.151 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -1.257 4.900 2.774 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -1.800 6.403 1.991 1.00 0.00 H new ATOM 1007 N VAL A 65 -4.895 5.221 5.840 1.00 0.00 N ATOM 1008 CA VAL A 65 -5.819 5.532 6.923 1.00 0.00 C ATOM 1009 C VAL A 65 -5.056 6.055 8.143 1.00 0.00 C ATOM 1010 O VAL A 65 -4.640 5.278 9.007 1.00 0.00 O ATOM 1011 CB VAL A 65 -6.663 4.302 7.321 1.00 0.00 C ATOM 1012 CG1 VAL A 65 -7.699 4.671 8.373 1.00 0.00 C ATOM 1013 CG2 VAL A 65 -7.335 3.691 6.099 1.00 0.00 C ATOM 0 H VAL A 65 -4.349 4.372 5.990 1.00 0.00 H new ATOM 0 HA VAL A 65 -6.497 6.306 6.563 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.992 3.558 7.751 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -8.281 3.788 8.636 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -7.196 5.052 9.261 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -8.364 5.438 7.976 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -7.924 2.826 6.402 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.988 4.430 5.635 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.574 3.379 5.383 1.00 0.00 H new ATOM 1023 N PRO A 66 -4.815 7.377 8.204 1.00 0.00 N ATOM 1024 CA PRO A 66 -4.065 7.992 9.301 1.00 0.00 C ATOM 1025 C PRO A 66 -4.877 8.029 10.591 1.00 0.00 C ATOM 1026 O PRO A 66 -6.065 7.705 10.584 1.00 0.00 O ATOM 1027 CB PRO A 66 -3.799 9.409 8.793 1.00 0.00 C ATOM 1028 CG PRO A 66 -4.936 9.693 7.874 1.00 0.00 C ATOM 1029 CD PRO A 66 -5.278 8.380 7.225 1.00 0.00 C ATOM 0 HA PRO A 66 -3.158 7.439 9.546 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -3.763 10.125 9.614 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.843 9.472 8.273 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -5.790 10.093 8.421 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -4.659 10.437 7.128 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -6.348 8.292 7.037 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -4.775 8.265 6.265 1.00 0.00 H new ATOM 1037 N LEU A 67 -4.223 8.424 11.687 1.00 0.00 N ATOM 1038 CA LEU A 67 -4.843 8.507 13.008 1.00 0.00 C ATOM 1039 C LEU A 67 -5.149 7.123 13.584 1.00 0.00 C ATOM 1040 O LEU A 67 -4.714 6.802 14.691 1.00 0.00 O ATOM 1041 CB LEU A 67 -6.110 9.359 12.961 1.00 0.00 C ATOM 1042 CG LEU A 67 -5.919 10.782 12.436 1.00 0.00 C ATOM 1043 CD1 LEU A 67 -7.257 11.493 12.336 1.00 0.00 C ATOM 1044 CD2 LEU A 67 -4.968 11.557 13.335 1.00 0.00 C ATOM 0 H LEU A 67 -3.240 8.697 11.680 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.123 8.987 13.671 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.845 8.854 12.335 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -6.530 9.413 13.965 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.482 10.728 11.439 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -7.104 12.505 11.961 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -7.909 10.948 11.654 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -7.720 11.538 13.322 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.843 12.568 12.947 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -5.378 11.604 14.344 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.000 11.056 13.359 1.00 0.00 H new ATOM 1056 N GLU A 68 -5.884 6.315 12.820 1.00 0.00 N ATOM 1057 CA GLU A 68 -6.279 4.968 13.233 1.00 0.00 C ATOM 1058 C GLU A 68 -5.047 4.176 13.668 1.00 0.00 C ATOM 1059 O GLU A 68 -4.998 3.635 14.774 1.00 0.00 O ATOM 1060 CB GLU A 68 -7.000 4.277 12.065 1.00 0.00 C ATOM 1061 CG GLU A 68 -8.089 3.297 12.482 1.00 0.00 C ATOM 1062 CD GLU A 68 -7.561 1.918 12.817 1.00 0.00 C ATOM 1063 OE1 GLU A 68 -7.053 1.724 13.938 1.00 0.00 O ATOM 1064 OE2 GLU A 68 -7.663 1.013 11.960 1.00 0.00 O ATOM 0 H GLU A 68 -6.223 6.577 11.894 1.00 0.00 H new ATOM 0 HA GLU A 68 -6.960 5.021 14.083 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -7.442 5.041 11.426 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -6.263 3.746 11.463 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -8.615 3.697 13.349 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -8.819 3.213 11.677 1.00 0.00 H new ATOM 1071 N HIS A 69 -4.042 4.138 12.805 1.00 0.00 N ATOM 1072 CA HIS A 69 -2.751 3.569 13.164 1.00 0.00 C ATOM 1073 C HIS A 69 -1.665 4.613 12.978 1.00 0.00 C ATOM 1074 O HIS A 69 -1.053 4.714 11.917 1.00 0.00 O ATOM 1075 CB HIS A 69 -2.438 2.309 12.349 1.00 0.00 C ATOM 1076 CG HIS A 69 -3.263 1.125 12.743 1.00 0.00 C ATOM 1077 ND1 HIS A 69 -2.879 0.232 13.715 1.00 0.00 N ATOM 1078 CD2 HIS A 69 -4.468 0.701 12.304 1.00 0.00 C ATOM 1079 CE1 HIS A 69 -3.813 -0.687 13.858 1.00 0.00 C ATOM 1080 NE2 HIS A 69 -4.790 -0.427 13.012 1.00 0.00 N ATOM 0 H HIS A 69 -4.096 4.495 11.851 1.00 0.00 H new ATOM 0 HA HIS A 69 -2.789 3.270 14.212 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -2.600 2.520 11.292 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -1.383 2.062 12.467 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -5.068 1.166 11.536 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -3.783 -1.514 14.552 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -5.644 -0.974 12.903 1.00 0.00 H new ATOM 1089 N HIS A 70 -1.460 5.412 14.011 1.00 0.00 N ATOM 1090 CA HIS A 70 -0.510 6.512 13.953 1.00 0.00 C ATOM 1091 C HIS A 70 0.838 6.099 14.535 1.00 0.00 C ATOM 1092 O HIS A 70 0.904 5.363 15.519 1.00 0.00 O ATOM 1093 CB HIS A 70 -1.063 7.748 14.687 1.00 0.00 C ATOM 1094 CG HIS A 70 -1.331 7.542 16.152 1.00 0.00 C ATOM 1095 ND1 HIS A 70 -2.584 7.270 16.660 1.00 0.00 N ATOM 1096 CD2 HIS A 70 -0.498 7.584 17.221 1.00 0.00 C ATOM 1097 CE1 HIS A 70 -2.510 7.155 17.974 1.00 0.00 C ATOM 1098 NE2 HIS A 70 -1.255 7.340 18.337 1.00 0.00 N ATOM 0 H HIS A 70 -1.941 5.319 14.905 1.00 0.00 H new ATOM 0 HA HIS A 70 -0.360 6.774 12.906 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -0.354 8.568 14.573 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -1.989 8.057 14.202 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -3.436 7.173 16.107 1.00 0.00 H new ATOM 0 HD2 HIS A 70 0.565 7.774 17.197 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -3.336 6.945 18.638 1.00 0.00 H new ATOM 1107 N HIS A 71 1.908 6.567 13.914 1.00 0.00 N ATOM 1108 CA HIS A 71 3.260 6.288 14.377 1.00 0.00 C ATOM 1109 C HIS A 71 4.133 7.519 14.202 1.00 0.00 C ATOM 1110 O HIS A 71 3.907 8.323 13.296 1.00 0.00 O ATOM 1111 CB HIS A 71 3.873 5.101 13.623 1.00 0.00 C ATOM 1112 CG HIS A 71 3.415 3.759 14.112 1.00 0.00 C ATOM 1113 ND1 HIS A 71 4.001 3.116 15.176 1.00 0.00 N ATOM 1114 CD2 HIS A 71 2.439 2.932 13.668 1.00 0.00 C ATOM 1115 CE1 HIS A 71 3.413 1.951 15.364 1.00 0.00 C ATOM 1116 NE2 HIS A 71 2.458 1.809 14.461 1.00 0.00 N ATOM 0 H HIS A 71 1.866 7.149 13.078 1.00 0.00 H new ATOM 0 HA HIS A 71 3.208 6.027 15.434 1.00 0.00 H new ATOM 0 HB2 HIS A 71 3.629 5.192 12.565 1.00 0.00 H new ATOM 0 HB3 HIS A 71 4.959 5.154 13.705 1.00 0.00 H new ATOM 0 HD2 HIS A 71 1.769 3.120 12.842 1.00 0.00 H new ATOM 0 HE1 HIS A 71 3.669 1.232 16.128 1.00 0.00 H new ATOM 0 HE2 HIS A 71 1.840 1.003 14.368 1.00 0.00 H new ATOM 1125 N HIS A 72 5.115 7.677 15.078 1.00 0.00 N ATOM 1126 CA HIS A 72 6.024 8.810 15.007 1.00 0.00 C ATOM 1127 C HIS A 72 7.469 8.366 15.141 1.00 0.00 C ATOM 1128 O HIS A 72 7.756 7.263 15.610 1.00 0.00 O ATOM 1129 CB HIS A 72 5.718 9.831 16.106 1.00 0.00 C ATOM 1130 CG HIS A 72 4.580 10.749 15.797 1.00 0.00 C ATOM 1131 ND1 HIS A 72 3.481 10.885 16.612 1.00 0.00 N ATOM 1132 CD2 HIS A 72 4.394 11.615 14.772 1.00 0.00 C ATOM 1133 CE1 HIS A 72 2.668 11.790 16.104 1.00 0.00 C ATOM 1134 NE2 HIS A 72 3.197 12.252 14.986 1.00 0.00 N ATOM 0 H HIS A 72 5.302 7.033 15.847 1.00 0.00 H new ATOM 0 HA HIS A 72 5.879 9.272 14.031 1.00 0.00 H new ATOM 0 HB2 HIS A 72 5.497 9.297 17.030 1.00 0.00 H new ATOM 0 HB3 HIS A 72 6.611 10.428 16.289 1.00 0.00 H new ATOM 0 HD2 HIS A 72 5.064 11.775 13.940 1.00 0.00 H new ATOM 0 HE1 HIS A 72 1.726 12.102 16.531 1.00 0.00 H new ATOM 0 HE2 HIS A 72 2.785 12.963 14.382 1.00 0.00 H new ATOM 1143 N HIS A 73 8.373 9.229 14.707 1.00 0.00 N ATOM 1144 CA HIS A 73 9.792 9.031 14.939 1.00 0.00 C ATOM 1145 C HIS A 73 10.202 9.699 16.243 1.00 0.00 C ATOM 1146 O HIS A 73 10.199 10.925 16.355 1.00 0.00 O ATOM 1147 CB HIS A 73 10.617 9.579 13.774 1.00 0.00 C ATOM 1148 CG HIS A 73 10.879 8.563 12.705 1.00 0.00 C ATOM 1149 ND1 HIS A 73 10.215 8.536 11.496 1.00 0.00 N ATOM 1150 CD2 HIS A 73 11.751 7.527 12.670 1.00 0.00 C ATOM 1151 CE1 HIS A 73 10.666 7.529 10.772 1.00 0.00 C ATOM 1152 NE2 HIS A 73 11.599 6.901 11.459 1.00 0.00 N ATOM 0 H HIS A 73 8.146 10.078 14.189 1.00 0.00 H new ATOM 0 HA HIS A 73 9.985 7.961 15.013 1.00 0.00 H new ATOM 0 HB2 HIS A 73 10.095 10.430 13.337 1.00 0.00 H new ATOM 0 HB3 HIS A 73 11.569 9.950 14.154 1.00 0.00 H new ATOM 0 HD2 HIS A 73 12.440 7.245 13.453 1.00 0.00 H new ATOM 0 HE1 HIS A 73 10.327 7.264 9.781 1.00 0.00 H new ATOM 0 HE2 HIS A 73 12.122 6.084 11.142 1.00 0.00 H new ATOM 1161 N HIS A 74 10.530 8.882 17.231 1.00 0.00 N ATOM 1162 CA HIS A 74 10.877 9.377 18.555 1.00 0.00 C ATOM 1163 C HIS A 74 12.353 9.772 18.605 1.00 0.00 C ATOM 1164 O HIS A 74 13.192 8.906 18.919 1.00 0.00 O ATOM 1165 CB HIS A 74 10.563 8.302 19.606 1.00 0.00 C ATOM 1166 CG HIS A 74 10.643 8.780 21.024 1.00 0.00 C ATOM 1167 ND1 HIS A 74 9.532 9.096 21.777 1.00 0.00 N ATOM 1168 CD2 HIS A 74 11.708 8.976 21.833 1.00 0.00 C ATOM 1169 CE1 HIS A 74 9.914 9.468 22.983 1.00 0.00 C ATOM 1170 NE2 HIS A 74 11.229 9.401 23.043 1.00 0.00 N ATOM 1171 OXT HIS A 74 12.670 10.945 18.316 1.00 0.00 O ATOM 0 H HIS A 74 10.563 7.867 17.141 1.00 0.00 H new ATOM 0 HA HIS A 74 10.283 10.265 18.774 1.00 0.00 H new ATOM 0 HB2 HIS A 74 9.561 7.913 19.422 1.00 0.00 H new ATOM 0 HB3 HIS A 74 11.256 7.471 19.476 1.00 0.00 H new ATOM 0 HD2 HIS A 74 12.745 8.825 21.573 1.00 0.00 H new ATOM 0 HE1 HIS A 74 9.260 9.776 23.786 1.00 0.00 H new ATOM 0 HE2 HIS A 74 11.798 9.629 23.859 1.00 0.00 H new TER 1180 HIS A 74