USER MOD reduce.3.24.130724 H: found=0, std=0, add=850, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 848 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 104 THR OG1 : rot 180:sc= 0.773 USER MOD Set 1.2: A 106 LYS NZ :NH3+ -140:sc= 0.607 (180deg=0.474) USER MOD Set 2.1: A 36 THR OG1 : rot 180:sc= 0.049 USER MOD Set 2.2: A 37 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 34 SER OG : rot 89:sc= 1.3 USER MOD Set 3.2: A 42 CYS SG : rot 44:sc= 0.171 USER MOD Set 4.1: A 24 ASN : amide:sc= 1.85 K(o=2.3,f=-3) USER MOD Set 4.2: A 28 THR OG1 : rot 78:sc= 1.3 USER MOD Set 4.3: A 46 SER OG : rot 163:sc= -0.724 USER MOD Set 4.4: A 100 ASN : amide:sc= -0.156 K(o=2.3,f=-1!) USER MOD Set 5.1: A 6 TYR OH : rot 180:sc= 0 USER MOD Set 5.2: A 41 TYR OH : rot -117:sc= 1.22 USER MOD Single : A 1 GLN : amide:sc= -0.218 K(o=-0.22,f=-1) USER MOD Single : A 1 GLN N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ -163:sc= 1.14 (180deg=0.243) USER MOD Single : A 11 THR OG1 : rot -86:sc= 0.599 USER MOD Single : A 15 SER OG : rot -98:sc= -0.358 USER MOD Single : A 21 ASN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -110:sc= -0.383 USER MOD Single : A 50 ASN : amide:sc=-0.00506 X(o=-0.0051,f=-0.026) USER MOD Single : A 52 LYS NZ :NH3+ -141:sc= -0.0432 (180deg=-0.305) USER MOD Single : A 55 ASN : amide:sc= 0.163 K(o=0.16,f=-1.4) USER MOD Single : A 57 LYS NZ :NH3+ -171:sc=-0.00179 (180deg=-0.0688) USER MOD Single : A 58 HIS : no HD1:sc= 1.67 K(o=1.7,f=-9.5!) USER MOD Single : A 59 TYR OH : rot 180:sc= -0.0225 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot -60:sc= 0.217 USER MOD Single : A 70 TYR OH : rot 30:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.0917 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.24 K(o=-0.24,f=-1.5) USER MOD Single : A 78 SER OG : rot -61:sc= 0.778 USER MOD Single : A 79 SER OG : rot 180:sc= -0.0892 USER MOD Single : A 81 GLN : amide:sc= -0.0106 K(o=-0.011,f=-0.63) USER MOD Single : A 82 GLN : amide:sc= -3.8! K(o=-3.8!,f=-0.36) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot -121:sc= 0.0699 USER MOD Single : A 88 SER OG : rot -86:sc= 0.825 USER MOD Single : A 89 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0274) USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 95 CYS SG : rot -39:sc= -0.0434 USER MOD Single : A 96 HIS : no HD1:sc= 1.11 K(o=1.1,f=-3.8!) USER MOD Single : A 99 THR OG1 : rot 28:sc= 0.453 USER MOD Single : A 102 CYS SG : rot -35:sc= 0.0615 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 7.894 -9.147 -13.429 1.00 0.00 N ATOM 2 CA GLN A 1 7.730 -7.684 -13.563 1.00 0.00 C ATOM 3 C GLN A 1 7.260 -7.064 -12.256 1.00 0.00 C ATOM 4 O GLN A 1 6.314 -7.546 -11.630 1.00 0.00 O ATOM 5 CB GLN A 1 6.731 -7.358 -14.675 1.00 0.00 C ATOM 6 CG GLN A 1 7.361 -7.267 -16.054 1.00 0.00 C ATOM 7 CD GLN A 1 8.302 -6.086 -16.177 1.00 0.00 C ATOM 8 OE1 GLN A 1 8.116 -5.060 -15.527 1.00 0.00 O ATOM 9 NE2 GLN A 1 9.320 -6.222 -17.008 1.00 0.00 N ATOM 0 H1 GLN A 1 8.215 -9.545 -14.335 1.00 0.00 H new ATOM 0 H2 GLN A 1 8.599 -9.351 -12.692 1.00 0.00 H new ATOM 0 H3 GLN A 1 6.984 -9.576 -13.166 1.00 0.00 H new ATOM 0 HA GLN A 1 8.702 -7.262 -13.818 1.00 0.00 H new ATOM 0 HB2 GLN A 1 5.955 -8.123 -14.690 1.00 0.00 H new ATOM 0 HB3 GLN A 1 6.242 -6.411 -14.446 1.00 0.00 H new ATOM 0 HG2 GLN A 1 7.906 -8.187 -16.264 1.00 0.00 H new ATOM 0 HG3 GLN A 1 6.576 -7.183 -16.805 1.00 0.00 H new ATOM 0 HE21 GLN A 1 9.440 -7.090 -17.530 1.00 0.00 H new ATOM 0 HE22 GLN A 1 9.986 -5.459 -17.128 1.00 0.00 H new ATOM 20 N ALA A 2 7.944 -6.011 -11.846 1.00 0.00 N ATOM 21 CA ALA A 2 7.538 -5.228 -10.696 1.00 0.00 C ATOM 22 C ALA A 2 7.090 -3.850 -11.155 1.00 0.00 C ATOM 23 O ALA A 2 7.861 -3.102 -11.761 1.00 0.00 O ATOM 24 CB ALA A 2 8.678 -5.117 -9.695 1.00 0.00 C ATOM 0 H ALA A 2 8.794 -5.676 -12.300 1.00 0.00 H new ATOM 0 HA ALA A 2 6.705 -5.726 -10.200 1.00 0.00 H new ATOM 0 HB1 ALA A 2 8.354 -4.526 -8.839 1.00 0.00 H new ATOM 0 HB2 ALA A 2 8.966 -6.113 -9.360 1.00 0.00 H new ATOM 0 HB3 ALA A 2 9.532 -4.632 -10.168 1.00 0.00 H new ATOM 30 N GLU A 3 5.841 -3.518 -10.872 1.00 0.00 N ATOM 31 CA GLU A 3 5.263 -2.264 -11.324 1.00 0.00 C ATOM 32 C GLU A 3 5.709 -1.105 -10.440 1.00 0.00 C ATOM 33 O GLU A 3 6.450 -1.300 -9.475 1.00 0.00 O ATOM 34 CB GLU A 3 3.735 -2.354 -11.327 1.00 0.00 C ATOM 35 CG GLU A 3 3.184 -3.426 -12.253 1.00 0.00 C ATOM 36 CD GLU A 3 3.575 -3.198 -13.695 1.00 0.00 C ATOM 37 OE1 GLU A 3 3.090 -2.215 -14.297 1.00 0.00 O ATOM 38 OE2 GLU A 3 4.364 -3.997 -14.239 1.00 0.00 O ATOM 0 H GLU A 3 5.206 -4.103 -10.329 1.00 0.00 H new ATOM 0 HA GLU A 3 5.615 -2.080 -12.339 1.00 0.00 H new ATOM 0 HB2 GLU A 3 3.390 -2.552 -10.312 1.00 0.00 H new ATOM 0 HB3 GLU A 3 3.324 -1.388 -11.620 1.00 0.00 H new ATOM 0 HG2 GLU A 3 3.547 -4.402 -11.931 1.00 0.00 H new ATOM 0 HG3 GLU A 3 2.097 -3.448 -12.173 1.00 0.00 H new ATOM 45 N GLU A 4 5.269 0.098 -10.777 1.00 0.00 N ATOM 46 CA GLU A 4 5.557 1.266 -9.957 1.00 0.00 C ATOM 47 C GLU A 4 4.954 1.092 -8.570 1.00 0.00 C ATOM 48 O GLU A 4 5.641 1.225 -7.560 1.00 0.00 O ATOM 49 CB GLU A 4 4.994 2.528 -10.607 1.00 0.00 C ATOM 50 CG GLU A 4 5.524 2.786 -12.004 1.00 0.00 C ATOM 51 CD GLU A 4 4.932 4.029 -12.625 1.00 0.00 C ATOM 52 OE1 GLU A 4 3.716 4.033 -12.915 1.00 0.00 O ATOM 53 OE2 GLU A 4 5.674 5.014 -12.819 1.00 0.00 O ATOM 0 H GLU A 4 4.713 0.291 -11.610 1.00 0.00 H new ATOM 0 HA GLU A 4 6.639 1.367 -9.870 1.00 0.00 H new ATOM 0 HB2 GLU A 4 3.908 2.450 -10.649 1.00 0.00 H new ATOM 0 HB3 GLU A 4 5.227 3.386 -9.976 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.609 2.884 -11.965 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.304 1.927 -12.637 1.00 0.00 H new ATOM 60 N TRP A 5 3.665 0.781 -8.548 1.00 0.00 N ATOM 61 CA TRP A 5 2.927 0.583 -7.307 1.00 0.00 C ATOM 62 C TRP A 5 3.188 -0.809 -6.729 1.00 0.00 C ATOM 63 O TRP A 5 3.366 -0.972 -5.520 1.00 0.00 O ATOM 64 CB TRP A 5 1.425 0.793 -7.557 1.00 0.00 C ATOM 65 CG TRP A 5 0.920 0.108 -8.799 1.00 0.00 C ATOM 66 CD1 TRP A 5 1.060 0.542 -10.087 1.00 0.00 C ATOM 67 CD2 TRP A 5 0.185 -1.122 -8.872 1.00 0.00 C ATOM 68 NE1 TRP A 5 0.483 -0.352 -10.954 1.00 0.00 N ATOM 69 CE2 TRP A 5 -0.070 -1.377 -10.233 1.00 0.00 C ATOM 70 CE3 TRP A 5 -0.280 -2.034 -7.920 1.00 0.00 C ATOM 71 CZ2 TRP A 5 -0.762 -2.506 -10.664 1.00 0.00 C ATOM 72 CZ3 TRP A 5 -0.967 -3.152 -8.350 1.00 0.00 C ATOM 73 CH2 TRP A 5 -1.205 -3.378 -9.711 1.00 0.00 C ATOM 0 H TRP A 5 3.101 0.659 -9.389 1.00 0.00 H new ATOM 0 HA TRP A 5 3.272 1.315 -6.576 1.00 0.00 H new ATOM 0 HB2 TRP A 5 0.867 0.425 -6.696 1.00 0.00 H new ATOM 0 HB3 TRP A 5 1.224 1.861 -7.634 1.00 0.00 H new ATOM 0 HD1 TRP A 5 1.554 1.457 -10.381 1.00 0.00 H new ATOM 0 HE1 TRP A 5 0.468 -0.267 -11.970 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -0.105 -1.867 -6.867 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -0.942 -2.685 -11.714 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -1.327 -3.865 -7.623 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -1.750 -4.260 -10.013 1.00 0.00 H new ATOM 84 N TYR A 6 3.226 -1.800 -7.607 1.00 0.00 N ATOM 85 CA TYR A 6 3.410 -3.188 -7.207 1.00 0.00 C ATOM 86 C TYR A 6 4.892 -3.523 -7.067 1.00 0.00 C ATOM 87 O TYR A 6 5.557 -3.861 -8.044 1.00 0.00 O ATOM 88 CB TYR A 6 2.755 -4.110 -8.239 1.00 0.00 C ATOM 89 CG TYR A 6 2.799 -5.576 -7.878 1.00 0.00 C ATOM 90 CD1 TYR A 6 1.958 -6.087 -6.901 1.00 0.00 C ATOM 91 CD2 TYR A 6 3.670 -6.447 -8.519 1.00 0.00 C ATOM 92 CE1 TYR A 6 1.984 -7.424 -6.570 1.00 0.00 C ATOM 93 CE2 TYR A 6 3.703 -7.789 -8.193 1.00 0.00 C ATOM 94 CZ TYR A 6 2.856 -8.272 -7.217 1.00 0.00 C ATOM 95 OH TYR A 6 2.882 -9.609 -6.889 1.00 0.00 O ATOM 0 H TYR A 6 3.131 -1.666 -8.614 1.00 0.00 H new ATOM 0 HA TYR A 6 2.937 -3.337 -6.236 1.00 0.00 H new ATOM 0 HB2 TYR A 6 1.715 -3.811 -8.368 1.00 0.00 H new ATOM 0 HB3 TYR A 6 3.249 -3.969 -9.200 1.00 0.00 H new ATOM 0 HD1 TYR A 6 1.272 -5.427 -6.392 1.00 0.00 H new ATOM 0 HD2 TYR A 6 4.332 -6.069 -9.284 1.00 0.00 H new ATOM 0 HE1 TYR A 6 1.323 -7.806 -5.806 1.00 0.00 H new ATOM 0 HE2 TYR A 6 4.387 -8.455 -8.698 1.00 0.00 H new ATOM 0 HH TYR A 6 3.551 -10.068 -7.438 1.00 0.00 H new ATOM 105 N PHE A 7 5.402 -3.437 -5.845 1.00 0.00 N ATOM 106 CA PHE A 7 6.803 -3.748 -5.575 1.00 0.00 C ATOM 107 C PHE A 7 7.025 -5.254 -5.477 1.00 0.00 C ATOM 108 O PHE A 7 8.148 -5.740 -5.639 1.00 0.00 O ATOM 109 CB PHE A 7 7.259 -3.063 -4.285 1.00 0.00 C ATOM 110 CG PHE A 7 7.599 -1.613 -4.469 1.00 0.00 C ATOM 111 CD1 PHE A 7 6.604 -0.666 -4.635 1.00 0.00 C ATOM 112 CD2 PHE A 7 8.921 -1.200 -4.479 1.00 0.00 C ATOM 113 CE1 PHE A 7 6.919 0.666 -4.805 1.00 0.00 C ATOM 114 CE2 PHE A 7 9.242 0.133 -4.651 1.00 0.00 C ATOM 115 CZ PHE A 7 8.239 1.067 -4.814 1.00 0.00 C ATOM 0 H PHE A 7 4.867 -3.154 -5.024 1.00 0.00 H new ATOM 0 HA PHE A 7 7.397 -3.372 -6.407 1.00 0.00 H new ATOM 0 HB2 PHE A 7 6.471 -3.152 -3.537 1.00 0.00 H new ATOM 0 HB3 PHE A 7 8.131 -3.586 -3.893 1.00 0.00 H new ATOM 0 HD1 PHE A 7 5.569 -0.973 -4.631 1.00 0.00 H new ATOM 0 HD2 PHE A 7 9.709 -1.927 -4.351 1.00 0.00 H new ATOM 0 HE1 PHE A 7 6.132 1.395 -4.931 1.00 0.00 H new ATOM 0 HE2 PHE A 7 10.276 0.444 -4.658 1.00 0.00 H new ATOM 0 HZ PHE A 7 8.487 2.110 -4.948 1.00 0.00 H new ATOM 125 N GLY A 8 5.953 -5.987 -5.214 1.00 0.00 N ATOM 126 CA GLY A 8 6.045 -7.428 -5.107 1.00 0.00 C ATOM 127 C GLY A 8 6.149 -7.883 -3.669 1.00 0.00 C ATOM 128 O GLY A 8 5.866 -7.114 -2.750 1.00 0.00 O ATOM 0 H GLY A 8 5.017 -5.607 -5.072 1.00 0.00 H new ATOM 0 HA2 GLY A 8 5.169 -7.883 -5.569 1.00 0.00 H new ATOM 0 HA3 GLY A 8 6.915 -7.778 -5.662 1.00 0.00 H new ATOM 132 N LYS A 9 6.554 -9.126 -3.460 1.00 0.00 N ATOM 133 CA LYS A 9 6.668 -9.666 -2.111 1.00 0.00 C ATOM 134 C LYS A 9 7.976 -9.255 -1.444 1.00 0.00 C ATOM 135 O LYS A 9 8.912 -10.050 -1.333 1.00 0.00 O ATOM 136 CB LYS A 9 6.514 -11.192 -2.103 1.00 0.00 C ATOM 137 CG LYS A 9 7.056 -11.899 -3.337 1.00 0.00 C ATOM 138 CD LYS A 9 7.021 -13.408 -3.148 1.00 0.00 C ATOM 139 CE LYS A 9 7.056 -14.150 -4.473 1.00 0.00 C ATOM 140 NZ LYS A 9 5.811 -13.937 -5.261 1.00 0.00 N ATOM 0 H LYS A 9 6.808 -9.778 -4.202 1.00 0.00 H new ATOM 0 HA LYS A 9 5.851 -9.239 -1.530 1.00 0.00 H new ATOM 0 HB2 LYS A 9 7.021 -11.589 -1.223 1.00 0.00 H new ATOM 0 HB3 LYS A 9 5.457 -11.435 -1.998 1.00 0.00 H new ATOM 0 HG2 LYS A 9 6.465 -11.623 -4.210 1.00 0.00 H new ATOM 0 HG3 LYS A 9 8.079 -11.575 -3.529 1.00 0.00 H new ATOM 0 HD2 LYS A 9 7.870 -13.716 -2.538 1.00 0.00 H new ATOM 0 HD3 LYS A 9 6.119 -13.684 -2.602 1.00 0.00 H new ATOM 0 HE2 LYS A 9 7.915 -13.815 -5.054 1.00 0.00 H new ATOM 0 HE3 LYS A 9 7.191 -15.216 -4.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 5.740 -14.664 -6.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 4.986 -14.003 -4.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 5.836 -12.995 -5.702 1.00 0.00 H new ATOM 154 N ILE A 10 8.039 -7.999 -1.026 1.00 0.00 N ATOM 155 CA ILE A 10 9.128 -7.521 -0.186 1.00 0.00 C ATOM 156 C ILE A 10 8.663 -7.545 1.266 1.00 0.00 C ATOM 157 O ILE A 10 7.484 -7.313 1.546 1.00 0.00 O ATOM 158 CB ILE A 10 9.574 -6.085 -0.568 1.00 0.00 C ATOM 159 CG1 ILE A 10 8.444 -5.078 -0.342 1.00 0.00 C ATOM 160 CG2 ILE A 10 10.041 -6.029 -2.016 1.00 0.00 C ATOM 161 CD1 ILE A 10 8.846 -3.643 -0.608 1.00 0.00 C ATOM 0 H ILE A 10 7.344 -7.289 -1.257 1.00 0.00 H new ATOM 0 HA ILE A 10 9.988 -8.175 -0.331 1.00 0.00 H new ATOM 0 HB ILE A 10 10.409 -5.817 0.079 1.00 0.00 H new ATOM 0 HG12 ILE A 10 7.604 -5.336 -0.987 1.00 0.00 H new ATOM 0 HG13 ILE A 10 8.094 -5.163 0.687 1.00 0.00 H new ATOM 0 HG21 ILE A 10 10.348 -5.012 -2.260 1.00 0.00 H new ATOM 0 HG22 ILE A 10 10.884 -6.706 -2.153 1.00 0.00 H new ATOM 0 HG23 ILE A 10 9.225 -6.329 -2.673 1.00 0.00 H new ATOM 0 HD11 ILE A 10 7.994 -2.987 -0.427 1.00 0.00 H new ATOM 0 HD12 ILE A 10 9.665 -3.366 0.056 1.00 0.00 H new ATOM 0 HD13 ILE A 10 9.168 -3.542 -1.644 1.00 0.00 H new ATOM 173 N THR A 11 9.568 -7.844 2.186 1.00 0.00 N ATOM 174 CA THR A 11 9.196 -7.981 3.586 1.00 0.00 C ATOM 175 C THR A 11 8.949 -6.622 4.233 1.00 0.00 C ATOM 176 O THR A 11 9.324 -5.586 3.667 1.00 0.00 O ATOM 177 CB THR A 11 10.264 -8.747 4.389 1.00 0.00 C ATOM 178 OG1 THR A 11 11.534 -8.095 4.270 1.00 0.00 O ATOM 179 CG2 THR A 11 10.377 -10.184 3.903 1.00 0.00 C ATOM 0 H THR A 11 10.558 -7.995 1.991 1.00 0.00 H new ATOM 0 HA THR A 11 8.270 -8.555 3.606 1.00 0.00 H new ATOM 0 HB THR A 11 9.961 -8.756 5.436 1.00 0.00 H new ATOM 0 HG1 THR A 11 11.989 -8.410 3.461 1.00 0.00 H new ATOM 0 HG21 THR A 11 11.137 -10.706 4.484 1.00 0.00 H new ATOM 0 HG22 THR A 11 9.418 -10.686 4.026 1.00 0.00 H new ATOM 0 HG23 THR A 11 10.657 -10.191 2.850 1.00 0.00 H new ATOM 187 N ARG A 12 8.326 -6.623 5.408 1.00 0.00 N ATOM 188 CA ARG A 12 7.976 -5.382 6.093 1.00 0.00 C ATOM 189 C ARG A 12 9.217 -4.530 6.318 1.00 0.00 C ATOM 190 O ARG A 12 9.239 -3.355 5.965 1.00 0.00 O ATOM 191 CB ARG A 12 7.310 -5.660 7.441 1.00 0.00 C ATOM 192 CG ARG A 12 6.101 -6.573 7.367 1.00 0.00 C ATOM 193 CD ARG A 12 5.486 -6.777 8.742 1.00 0.00 C ATOM 194 NE ARG A 12 6.479 -7.218 9.724 1.00 0.00 N ATOM 195 CZ ARG A 12 6.178 -7.705 10.929 1.00 0.00 C ATOM 196 NH1 ARG A 12 4.913 -7.837 11.309 1.00 0.00 N ATOM 197 NH2 ARG A 12 7.146 -8.071 11.756 1.00 0.00 N ATOM 0 H ARG A 12 8.053 -7.470 5.906 1.00 0.00 H new ATOM 0 HA ARG A 12 7.272 -4.846 5.456 1.00 0.00 H new ATOM 0 HB2 ARG A 12 8.046 -6.105 8.111 1.00 0.00 H new ATOM 0 HB3 ARG A 12 7.007 -4.712 7.885 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.359 -6.145 6.693 1.00 0.00 H new ATOM 0 HG3 ARG A 12 6.394 -7.536 6.949 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.032 -5.845 9.078 1.00 0.00 H new ATOM 0 HD3 ARG A 12 4.687 -7.516 8.677 1.00 0.00 H new ATOM 0 HE ARG A 12 7.464 -7.148 9.470 1.00 0.00 H new ATOM 0 HH11 ARG A 12 4.160 -7.565 10.677 1.00 0.00 H new ATOM 0 HH12 ARG A 12 4.694 -8.211 12.233 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.121 -7.980 11.471 1.00 0.00 H new ATOM 0 HH22 ARG A 12 6.916 -8.443 12.677 1.00 0.00 H new ATOM 211 N ARG A 13 10.245 -5.152 6.890 1.00 0.00 N ATOM 212 CA ARG A 13 11.506 -4.480 7.202 1.00 0.00 C ATOM 213 C ARG A 13 12.039 -3.699 6.005 1.00 0.00 C ATOM 214 O ARG A 13 12.395 -2.528 6.133 1.00 0.00 O ATOM 215 CB ARG A 13 12.540 -5.514 7.656 1.00 0.00 C ATOM 216 CG ARG A 13 13.907 -4.929 7.954 1.00 0.00 C ATOM 217 CD ARG A 13 13.868 -3.951 9.116 1.00 0.00 C ATOM 218 NE ARG A 13 15.174 -3.343 9.349 1.00 0.00 N ATOM 219 CZ ARG A 13 15.521 -2.732 10.480 1.00 0.00 C ATOM 220 NH1 ARG A 13 14.667 -2.662 11.488 1.00 0.00 N ATOM 221 NH2 ARG A 13 16.726 -2.200 10.605 1.00 0.00 N ATOM 0 H ARG A 13 10.228 -6.138 7.151 1.00 0.00 H new ATOM 0 HA ARG A 13 11.320 -3.767 8.005 1.00 0.00 H new ATOM 0 HB2 ARG A 13 12.168 -6.016 8.549 1.00 0.00 H new ATOM 0 HB3 ARG A 13 12.642 -6.274 6.882 1.00 0.00 H new ATOM 0 HG2 ARG A 13 14.604 -5.735 8.182 1.00 0.00 H new ATOM 0 HG3 ARG A 13 14.285 -4.422 7.066 1.00 0.00 H new ATOM 0 HD2 ARG A 13 13.134 -3.171 8.912 1.00 0.00 H new ATOM 0 HD3 ARG A 13 13.541 -4.469 10.018 1.00 0.00 H new ATOM 0 HE ARG A 13 15.864 -3.389 8.599 1.00 0.00 H new ATOM 0 HH11 ARG A 13 13.739 -3.077 11.400 1.00 0.00 H new ATOM 0 HH12 ARG A 13 14.936 -2.193 12.353 1.00 0.00 H new ATOM 0 HH21 ARG A 13 17.391 -2.257 9.834 1.00 0.00 H new ATOM 0 HH22 ARG A 13 16.990 -1.732 11.472 1.00 0.00 H new ATOM 235 N GLU A 14 12.080 -4.348 4.850 1.00 0.00 N ATOM 236 CA GLU A 14 12.553 -3.714 3.625 1.00 0.00 C ATOM 237 C GLU A 14 11.697 -2.496 3.294 1.00 0.00 C ATOM 238 O GLU A 14 12.209 -1.409 3.020 1.00 0.00 O ATOM 239 CB GLU A 14 12.499 -4.712 2.469 1.00 0.00 C ATOM 240 CG GLU A 14 13.309 -5.972 2.717 1.00 0.00 C ATOM 241 CD GLU A 14 13.158 -6.987 1.605 1.00 0.00 C ATOM 242 OE1 GLU A 14 13.753 -6.787 0.527 1.00 0.00 O ATOM 243 OE2 GLU A 14 12.444 -7.994 1.808 1.00 0.00 O ATOM 0 H GLU A 14 11.790 -5.319 4.734 1.00 0.00 H new ATOM 0 HA GLU A 14 13.583 -3.391 3.774 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.460 -4.988 2.286 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.864 -4.227 1.564 1.00 0.00 H new ATOM 0 HG2 GLU A 14 14.361 -5.708 2.823 1.00 0.00 H new ATOM 0 HG3 GLU A 14 12.996 -6.421 3.660 1.00 0.00 H new ATOM 250 N SER A 15 10.390 -2.692 3.356 1.00 0.00 N ATOM 251 CA SER A 15 9.427 -1.655 3.028 1.00 0.00 C ATOM 252 C SER A 15 9.521 -0.481 4.002 1.00 0.00 C ATOM 253 O SER A 15 9.567 0.678 3.587 1.00 0.00 O ATOM 254 CB SER A 15 8.021 -2.253 3.058 1.00 0.00 C ATOM 255 OG SER A 15 7.029 -1.299 2.731 1.00 0.00 O ATOM 0 H SER A 15 9.967 -3.577 3.636 1.00 0.00 H new ATOM 0 HA SER A 15 9.648 -1.274 2.031 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.967 -3.086 2.357 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.821 -2.658 4.050 1.00 0.00 H new ATOM 0 HG SER A 15 6.631 -0.945 3.554 1.00 0.00 H new ATOM 261 N GLU A 16 9.561 -0.788 5.292 1.00 0.00 N ATOM 262 CA GLU A 16 9.582 0.237 6.324 1.00 0.00 C ATOM 263 C GLU A 16 10.906 0.989 6.305 1.00 0.00 C ATOM 264 O GLU A 16 10.948 2.194 6.537 1.00 0.00 O ATOM 265 CB GLU A 16 9.327 -0.391 7.696 1.00 0.00 C ATOM 266 CG GLU A 16 8.007 -1.144 7.763 1.00 0.00 C ATOM 267 CD GLU A 16 7.742 -1.775 9.114 1.00 0.00 C ATOM 268 OE1 GLU A 16 8.461 -2.725 9.483 1.00 0.00 O ATOM 269 OE2 GLU A 16 6.803 -1.325 9.810 1.00 0.00 O ATOM 0 H GLU A 16 9.580 -1.744 5.648 1.00 0.00 H new ATOM 0 HA GLU A 16 8.787 0.955 6.122 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.142 -1.074 7.935 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.333 0.391 8.455 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.194 -0.458 7.525 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.002 -1.922 7.000 1.00 0.00 H new ATOM 276 N ARG A 17 11.979 0.277 5.991 1.00 0.00 N ATOM 277 CA ARG A 17 13.305 0.880 5.890 1.00 0.00 C ATOM 278 C ARG A 17 13.335 1.915 4.759 1.00 0.00 C ATOM 279 O ARG A 17 14.133 2.852 4.775 1.00 0.00 O ATOM 280 CB ARG A 17 14.357 -0.220 5.673 1.00 0.00 C ATOM 281 CG ARG A 17 15.804 0.260 5.668 1.00 0.00 C ATOM 282 CD ARG A 17 16.303 0.544 4.260 1.00 0.00 C ATOM 283 NE ARG A 17 16.238 -0.642 3.408 1.00 0.00 N ATOM 284 CZ ARG A 17 16.651 -0.672 2.142 1.00 0.00 C ATOM 285 NH1 ARG A 17 17.207 0.400 1.593 1.00 0.00 N ATOM 286 NH2 ARG A 17 16.516 -1.779 1.424 1.00 0.00 N ATOM 0 H ARG A 17 11.959 -0.725 5.800 1.00 0.00 H new ATOM 0 HA ARG A 17 13.539 1.400 6.819 1.00 0.00 H new ATOM 0 HB2 ARG A 17 14.242 -0.970 6.455 1.00 0.00 H new ATOM 0 HB3 ARG A 17 14.152 -0.715 4.724 1.00 0.00 H new ATOM 0 HG2 ARG A 17 15.889 1.163 6.272 1.00 0.00 H new ATOM 0 HG3 ARG A 17 16.438 -0.495 6.133 1.00 0.00 H new ATOM 0 HD2 ARG A 17 15.706 1.342 3.818 1.00 0.00 H new ATOM 0 HD3 ARG A 17 17.331 0.903 4.305 1.00 0.00 H new ATOM 0 HE ARG A 17 15.853 -1.498 3.807 1.00 0.00 H new ATOM 0 HH11 ARG A 17 17.320 1.253 2.141 1.00 0.00 H new ATOM 0 HH12 ARG A 17 17.521 0.371 0.623 1.00 0.00 H new ATOM 0 HH21 ARG A 17 16.095 -2.609 1.841 1.00 0.00 H new ATOM 0 HH22 ARG A 17 16.833 -1.800 0.455 1.00 0.00 H new ATOM 300 N LEU A 18 12.448 1.744 3.788 1.00 0.00 N ATOM 301 CA LEU A 18 12.345 2.678 2.673 1.00 0.00 C ATOM 302 C LEU A 18 11.394 3.830 2.993 1.00 0.00 C ATOM 303 O LEU A 18 11.661 4.982 2.641 1.00 0.00 O ATOM 304 CB LEU A 18 11.867 1.949 1.415 1.00 0.00 C ATOM 305 CG LEU A 18 12.840 0.912 0.856 1.00 0.00 C ATOM 306 CD1 LEU A 18 12.217 0.176 -0.317 1.00 0.00 C ATOM 307 CD2 LEU A 18 14.142 1.576 0.436 1.00 0.00 C ATOM 0 H LEU A 18 11.789 0.967 3.749 1.00 0.00 H new ATOM 0 HA LEU A 18 13.337 3.094 2.498 1.00 0.00 H new ATOM 0 HB2 LEU A 18 10.922 1.454 1.638 1.00 0.00 H new ATOM 0 HB3 LEU A 18 11.664 2.689 0.640 1.00 0.00 H new ATOM 0 HG LEU A 18 13.059 0.188 1.640 1.00 0.00 H new ATOM 0 HD11 LEU A 18 12.924 -0.559 -0.703 1.00 0.00 H new ATOM 0 HD12 LEU A 18 11.310 -0.331 0.012 1.00 0.00 H new ATOM 0 HD13 LEU A 18 11.969 0.889 -1.104 1.00 0.00 H new ATOM 0 HD21 LEU A 18 14.823 0.823 0.040 1.00 0.00 H new ATOM 0 HD22 LEU A 18 13.939 2.321 -0.333 1.00 0.00 H new ATOM 0 HD23 LEU A 18 14.598 2.060 1.299 1.00 0.00 H new ATOM 319 N LEU A 19 10.291 3.523 3.669 1.00 0.00 N ATOM 320 CA LEU A 19 9.259 4.525 3.942 1.00 0.00 C ATOM 321 C LEU A 19 9.661 5.465 5.077 1.00 0.00 C ATOM 322 O LEU A 19 9.187 6.597 5.141 1.00 0.00 O ATOM 323 CB LEU A 19 7.925 3.854 4.281 1.00 0.00 C ATOM 324 CG LEU A 19 7.361 2.930 3.198 1.00 0.00 C ATOM 325 CD1 LEU A 19 6.080 2.274 3.680 1.00 0.00 C ATOM 326 CD2 LEU A 19 7.110 3.691 1.905 1.00 0.00 C ATOM 0 H LEU A 19 10.087 2.594 4.037 1.00 0.00 H new ATOM 0 HA LEU A 19 9.146 5.117 3.034 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.050 3.278 5.198 1.00 0.00 H new ATOM 0 HB3 LEU A 19 7.190 4.631 4.491 1.00 0.00 H new ATOM 0 HG LEU A 19 8.100 2.155 2.996 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.690 1.620 2.900 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.286 1.688 4.576 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.342 3.042 3.911 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.710 3.010 1.154 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.393 4.492 2.087 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.047 4.117 1.546 1.00 0.00 H new ATOM 338 N LEU A 20 10.531 5.001 5.971 1.00 0.00 N ATOM 339 CA LEU A 20 10.984 5.824 7.092 1.00 0.00 C ATOM 340 C LEU A 20 12.029 6.849 6.662 1.00 0.00 C ATOM 341 O LEU A 20 12.590 7.562 7.495 1.00 0.00 O ATOM 342 CB LEU A 20 11.538 4.957 8.227 1.00 0.00 C ATOM 343 CG LEU A 20 10.533 4.580 9.323 1.00 0.00 C ATOM 344 CD1 LEU A 20 9.906 5.828 9.925 1.00 0.00 C ATOM 345 CD2 LEU A 20 9.453 3.655 8.788 1.00 0.00 C ATOM 0 H LEU A 20 10.935 4.065 5.943 1.00 0.00 H new ATOM 0 HA LEU A 20 10.111 6.365 7.456 1.00 0.00 H new ATOM 0 HB2 LEU A 20 11.940 4.040 7.797 1.00 0.00 H new ATOM 0 HB3 LEU A 20 12.372 5.485 8.690 1.00 0.00 H new ATOM 0 HG LEU A 20 11.077 4.048 10.103 1.00 0.00 H new ATOM 0 HD11 LEU A 20 9.196 5.541 10.700 1.00 0.00 H new ATOM 0 HD12 LEU A 20 10.686 6.453 10.360 1.00 0.00 H new ATOM 0 HD13 LEU A 20 9.386 6.386 9.146 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.757 3.407 9.589 1.00 0.00 H new ATOM 0 HD22 LEU A 20 8.915 4.152 7.981 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.911 2.741 8.409 1.00 0.00 H new ATOM 357 N ASN A 21 12.302 6.912 5.368 1.00 0.00 N ATOM 358 CA ASN A 21 13.181 7.935 4.824 1.00 0.00 C ATOM 359 C ASN A 21 12.378 9.215 4.600 1.00 0.00 C ATOM 360 O ASN A 21 11.543 9.271 3.699 1.00 0.00 O ATOM 361 CB ASN A 21 13.806 7.454 3.512 1.00 0.00 C ATOM 362 CG ASN A 21 14.743 8.471 2.889 1.00 0.00 C ATOM 363 OD1 ASN A 21 15.355 9.284 3.583 1.00 0.00 O ATOM 364 ND2 ASN A 21 14.865 8.430 1.569 1.00 0.00 N ATOM 0 H ASN A 21 11.927 6.265 4.674 1.00 0.00 H new ATOM 0 HA ASN A 21 13.988 8.136 5.528 1.00 0.00 H new ATOM 0 HB2 ASN A 21 14.353 6.529 3.695 1.00 0.00 H new ATOM 0 HB3 ASN A 21 13.012 7.219 2.803 1.00 0.00 H new ATOM 0 HD21 ASN A 21 15.483 9.087 1.093 1.00 0.00 H new ATOM 0 HD22 ASN A 21 14.341 7.741 1.030 1.00 0.00 H new ATOM 371 N PRO A 22 12.633 10.260 5.412 1.00 0.00 N ATOM 372 CA PRO A 22 11.816 11.489 5.453 1.00 0.00 C ATOM 373 C PRO A 22 11.856 12.319 4.166 1.00 0.00 C ATOM 374 O PRO A 22 11.434 13.476 4.153 1.00 0.00 O ATOM 375 CB PRO A 22 12.423 12.291 6.611 1.00 0.00 C ATOM 376 CG PRO A 22 13.240 11.311 7.381 1.00 0.00 C ATOM 377 CD PRO A 22 13.742 10.326 6.372 1.00 0.00 C ATOM 0 HA PRO A 22 10.762 11.238 5.575 1.00 0.00 H new ATOM 0 HB2 PRO A 22 13.038 13.112 6.242 1.00 0.00 H new ATOM 0 HB3 PRO A 22 11.645 12.731 7.235 1.00 0.00 H new ATOM 0 HG2 PRO A 22 14.067 11.805 7.892 1.00 0.00 H new ATOM 0 HG3 PRO A 22 12.642 10.817 8.147 1.00 0.00 H new ATOM 0 HD2 PRO A 22 14.666 10.662 5.902 1.00 0.00 H new ATOM 0 HD3 PRO A 22 13.948 9.354 6.821 1.00 0.00 H new ATOM 385 N GLU A 23 12.350 11.729 3.089 1.00 0.00 N ATOM 386 CA GLU A 23 12.376 12.385 1.791 1.00 0.00 C ATOM 387 C GLU A 23 11.033 12.222 1.082 1.00 0.00 C ATOM 388 O GLU A 23 10.824 12.763 -0.002 1.00 0.00 O ATOM 389 CB GLU A 23 13.498 11.803 0.928 1.00 0.00 C ATOM 390 CG GLU A 23 14.891 12.095 1.460 1.00 0.00 C ATOM 391 CD GLU A 23 15.242 13.564 1.385 1.00 0.00 C ATOM 392 OE1 GLU A 23 14.953 14.300 2.350 1.00 0.00 O ATOM 393 OE2 GLU A 23 15.808 13.992 0.355 1.00 0.00 O ATOM 0 H GLU A 23 12.742 10.787 3.089 1.00 0.00 H new ATOM 0 HA GLU A 23 12.562 13.448 1.945 1.00 0.00 H new ATOM 0 HB2 GLU A 23 13.365 10.724 0.855 1.00 0.00 H new ATOM 0 HB3 GLU A 23 13.413 12.204 -0.082 1.00 0.00 H new ATOM 0 HG2 GLU A 23 14.959 11.761 2.495 1.00 0.00 H new ATOM 0 HG3 GLU A 23 15.622 11.520 0.891 1.00 0.00 H new ATOM 400 N ASN A 24 10.125 11.477 1.698 1.00 0.00 N ATOM 401 CA ASN A 24 8.818 11.230 1.101 1.00 0.00 C ATOM 402 C ASN A 24 7.724 11.944 1.892 1.00 0.00 C ATOM 403 O ASN A 24 7.806 12.061 3.119 1.00 0.00 O ATOM 404 CB ASN A 24 8.528 9.723 1.022 1.00 0.00 C ATOM 405 CG ASN A 24 8.068 9.115 2.338 1.00 0.00 C ATOM 406 OD1 ASN A 24 6.873 9.072 2.629 1.00 0.00 O ATOM 407 ND2 ASN A 24 9.004 8.632 3.136 1.00 0.00 N ATOM 0 H ASN A 24 10.267 11.035 2.606 1.00 0.00 H new ATOM 0 HA ASN A 24 8.828 11.628 0.086 1.00 0.00 H new ATOM 0 HB2 ASN A 24 7.763 9.549 0.265 1.00 0.00 H new ATOM 0 HB3 ASN A 24 9.428 9.206 0.689 1.00 0.00 H new ATOM 0 HD21 ASN A 24 8.745 8.206 4.026 1.00 0.00 H new ATOM 0 HD22 ASN A 24 9.985 8.685 2.862 1.00 0.00 H new ATOM 414 N PRO A 25 6.707 12.467 1.188 1.00 0.00 N ATOM 415 CA PRO A 25 5.570 13.147 1.811 1.00 0.00 C ATOM 416 C PRO A 25 4.512 12.169 2.319 1.00 0.00 C ATOM 417 O PRO A 25 4.504 10.992 1.944 1.00 0.00 O ATOM 418 CB PRO A 25 5.008 13.986 0.664 1.00 0.00 C ATOM 419 CG PRO A 25 5.328 13.211 -0.568 1.00 0.00 C ATOM 420 CD PRO A 25 6.599 12.451 -0.284 1.00 0.00 C ATOM 0 HA PRO A 25 5.865 13.724 2.687 1.00 0.00 H new ATOM 0 HB2 PRO A 25 3.933 14.132 0.771 1.00 0.00 H new ATOM 0 HB3 PRO A 25 5.464 14.976 0.638 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.516 12.528 -0.817 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.458 13.877 -1.421 1.00 0.00 H new ATOM 0 HD2 PRO A 25 6.549 11.432 -0.669 1.00 0.00 H new ATOM 0 HD3 PRO A 25 7.461 12.927 -0.752 1.00 0.00 H new ATOM 428 N ARG A 26 3.617 12.667 3.171 1.00 0.00 N ATOM 429 CA ARG A 26 2.540 11.852 3.719 1.00 0.00 C ATOM 430 C ARG A 26 1.546 11.501 2.620 1.00 0.00 C ATOM 431 O ARG A 26 0.765 12.347 2.181 1.00 0.00 O ATOM 432 CB ARG A 26 1.824 12.592 4.852 1.00 0.00 C ATOM 433 CG ARG A 26 0.868 11.715 5.644 1.00 0.00 C ATOM 434 CD ARG A 26 0.112 12.511 6.699 1.00 0.00 C ATOM 435 NE ARG A 26 -0.969 13.310 6.125 1.00 0.00 N ATOM 436 CZ ARG A 26 -1.603 14.285 6.779 1.00 0.00 C ATOM 437 NH1 ARG A 26 -1.229 14.617 8.009 1.00 0.00 N ATOM 438 NH2 ARG A 26 -2.613 14.926 6.202 1.00 0.00 N ATOM 0 H ARG A 26 3.619 13.634 3.496 1.00 0.00 H new ATOM 0 HA ARG A 26 2.971 10.936 4.123 1.00 0.00 H new ATOM 0 HB2 ARG A 26 2.569 13.008 5.531 1.00 0.00 H new ATOM 0 HB3 ARG A 26 1.270 13.432 4.433 1.00 0.00 H new ATOM 0 HG2 ARG A 26 0.157 11.246 4.964 1.00 0.00 H new ATOM 0 HG3 ARG A 26 1.426 10.912 6.125 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -0.300 11.827 7.441 1.00 0.00 H new ATOM 0 HD3 ARG A 26 0.807 13.168 7.222 1.00 0.00 H new ATOM 0 HE ARG A 26 -1.256 13.110 5.167 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -0.455 14.126 8.457 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -1.716 15.363 8.506 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -2.905 14.673 5.258 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -3.097 15.671 6.703 1.00 0.00 H new ATOM 452 N GLY A 27 1.579 10.256 2.186 1.00 0.00 N ATOM 453 CA GLY A 27 0.761 9.836 1.069 1.00 0.00 C ATOM 454 C GLY A 27 1.532 8.934 0.133 1.00 0.00 C ATOM 455 O GLY A 27 1.029 8.534 -0.921 1.00 0.00 O ATOM 0 H GLY A 27 2.161 9.522 2.589 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -0.121 9.312 1.438 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.407 10.712 0.525 1.00 0.00 H new ATOM 459 N THR A 28 2.767 8.643 0.519 1.00 0.00 N ATOM 460 CA THR A 28 3.612 7.712 -0.205 1.00 0.00 C ATOM 461 C THR A 28 3.178 6.280 0.096 1.00 0.00 C ATOM 462 O THR A 28 2.971 5.923 1.257 1.00 0.00 O ATOM 463 CB THR A 28 5.088 7.904 0.194 1.00 0.00 C ATOM 464 OG1 THR A 28 5.484 9.262 -0.040 1.00 0.00 O ATOM 465 CG2 THR A 28 5.997 6.965 -0.580 1.00 0.00 C ATOM 0 H THR A 28 3.209 9.048 1.344 1.00 0.00 H new ATOM 0 HA THR A 28 3.510 7.904 -1.273 1.00 0.00 H new ATOM 0 HB THR A 28 5.183 7.671 1.255 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.137 9.832 0.678 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.031 7.126 -0.275 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.714 5.933 -0.374 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.899 7.162 -1.648 1.00 0.00 H new ATOM 473 N PHE A 29 3.031 5.465 -0.939 1.00 0.00 N ATOM 474 CA PHE A 29 2.525 4.115 -0.756 1.00 0.00 C ATOM 475 C PHE A 29 3.306 3.097 -1.576 1.00 0.00 C ATOM 476 O PHE A 29 4.074 3.454 -2.473 1.00 0.00 O ATOM 477 CB PHE A 29 1.047 4.049 -1.153 1.00 0.00 C ATOM 478 CG PHE A 29 0.811 4.168 -2.641 1.00 0.00 C ATOM 479 CD1 PHE A 29 0.820 5.406 -3.267 1.00 0.00 C ATOM 480 CD2 PHE A 29 0.578 3.038 -3.408 1.00 0.00 C ATOM 481 CE1 PHE A 29 0.603 5.511 -4.629 1.00 0.00 C ATOM 482 CE2 PHE A 29 0.361 3.139 -4.769 1.00 0.00 C ATOM 483 CZ PHE A 29 0.373 4.377 -5.378 1.00 0.00 C ATOM 0 H PHE A 29 3.253 5.712 -1.903 1.00 0.00 H new ATOM 0 HA PHE A 29 2.644 3.867 0.299 1.00 0.00 H new ATOM 0 HB2 PHE A 29 0.628 3.106 -0.802 1.00 0.00 H new ATOM 0 HB3 PHE A 29 0.507 4.847 -0.644 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.998 6.298 -2.684 1.00 0.00 H new ATOM 0 HD2 PHE A 29 0.566 2.066 -2.937 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.614 6.480 -5.105 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.182 2.250 -5.355 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.202 4.458 -6.441 1.00 0.00 H new ATOM 493 N LEU A 30 3.091 1.833 -1.247 1.00 0.00 N ATOM 494 CA LEU A 30 3.583 0.717 -2.034 1.00 0.00 C ATOM 495 C LEU A 30 2.808 -0.533 -1.633 1.00 0.00 C ATOM 496 O LEU A 30 2.473 -0.705 -0.459 1.00 0.00 O ATOM 497 CB LEU A 30 5.095 0.501 -1.841 1.00 0.00 C ATOM 498 CG LEU A 30 5.535 -0.180 -0.538 1.00 0.00 C ATOM 499 CD1 LEU A 30 7.027 -0.467 -0.571 1.00 0.00 C ATOM 500 CD2 LEU A 30 5.199 0.675 0.671 1.00 0.00 C ATOM 0 H LEU A 30 2.566 1.552 -0.419 1.00 0.00 H new ATOM 0 HA LEU A 30 3.430 0.934 -3.091 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.463 -0.094 -2.677 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.587 1.472 -1.900 1.00 0.00 H new ATOM 0 HG LEU A 30 4.990 -1.120 -0.452 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.325 -0.950 0.359 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.252 -1.125 -1.410 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.575 0.468 -0.686 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.523 0.165 1.578 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.710 1.634 0.591 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.122 0.840 0.712 1.00 0.00 H new ATOM 512 N VAL A 31 2.495 -1.380 -2.595 1.00 0.00 N ATOM 513 CA VAL A 31 1.748 -2.592 -2.303 1.00 0.00 C ATOM 514 C VAL A 31 2.644 -3.821 -2.431 1.00 0.00 C ATOM 515 O VAL A 31 3.200 -4.106 -3.496 1.00 0.00 O ATOM 516 CB VAL A 31 0.486 -2.725 -3.191 1.00 0.00 C ATOM 517 CG1 VAL A 31 0.810 -2.506 -4.652 1.00 0.00 C ATOM 518 CG2 VAL A 31 -0.183 -4.074 -2.990 1.00 0.00 C ATOM 0 H VAL A 31 2.743 -1.255 -3.577 1.00 0.00 H new ATOM 0 HA VAL A 31 1.404 -2.523 -1.271 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.211 -1.946 -2.883 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.099 -2.607 -5.245 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.223 -1.506 -4.787 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.540 -3.247 -4.978 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.066 -4.140 -3.625 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.515 -4.869 -3.254 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.478 -4.182 -1.946 1.00 0.00 H new ATOM 528 N ARG A 32 2.802 -4.524 -1.320 1.00 0.00 N ATOM 529 CA ARG A 32 3.659 -5.699 -1.263 1.00 0.00 C ATOM 530 C ARG A 32 2.816 -6.962 -1.248 1.00 0.00 C ATOM 531 O ARG A 32 1.630 -6.919 -0.938 1.00 0.00 O ATOM 532 CB ARG A 32 4.512 -5.683 0.005 1.00 0.00 C ATOM 533 CG ARG A 32 5.033 -4.313 0.392 1.00 0.00 C ATOM 534 CD ARG A 32 5.800 -4.377 1.698 1.00 0.00 C ATOM 535 NE ARG A 32 5.013 -4.995 2.766 1.00 0.00 N ATOM 536 CZ ARG A 32 4.693 -4.380 3.904 1.00 0.00 C ATOM 537 NH1 ARG A 32 5.131 -3.150 4.145 1.00 0.00 N ATOM 538 NH2 ARG A 32 3.939 -5.000 4.809 1.00 0.00 N ATOM 0 H ARG A 32 2.343 -4.298 -0.437 1.00 0.00 H new ATOM 0 HA ARG A 32 4.303 -5.684 -2.142 1.00 0.00 H new ATOM 0 HB2 ARG A 32 3.921 -6.080 0.831 1.00 0.00 H new ATOM 0 HB3 ARG A 32 5.359 -6.355 -0.133 1.00 0.00 H new ATOM 0 HG2 ARG A 32 5.680 -3.929 -0.397 1.00 0.00 H new ATOM 0 HG3 ARG A 32 4.200 -3.616 0.488 1.00 0.00 H new ATOM 0 HD2 ARG A 32 6.720 -4.943 1.551 1.00 0.00 H new ATOM 0 HD3 ARG A 32 6.090 -3.370 1.998 1.00 0.00 H new ATOM 0 HE ARG A 32 4.690 -5.953 2.631 1.00 0.00 H new ATOM 0 HH11 ARG A 32 5.714 -2.673 3.458 1.00 0.00 H new ATOM 0 HH12 ARG A 32 4.884 -2.682 5.017 1.00 0.00 H new ATOM 0 HH21 ARG A 32 3.605 -5.947 4.632 1.00 0.00 H new ATOM 0 HH22 ARG A 32 3.695 -4.528 5.680 1.00 0.00 H new ATOM 552 N GLU A 33 3.440 -8.082 -1.564 1.00 0.00 N ATOM 553 CA GLU A 33 2.781 -9.373 -1.467 1.00 0.00 C ATOM 554 C GLU A 33 3.167 -10.027 -0.148 1.00 0.00 C ATOM 555 O GLU A 33 4.348 -10.092 0.195 1.00 0.00 O ATOM 556 CB GLU A 33 3.174 -10.267 -2.645 1.00 0.00 C ATOM 557 CG GLU A 33 2.453 -11.608 -2.671 1.00 0.00 C ATOM 558 CD GLU A 33 2.828 -12.446 -3.875 1.00 0.00 C ATOM 559 OE1 GLU A 33 2.230 -12.239 -4.955 1.00 0.00 O ATOM 560 OE2 GLU A 33 3.721 -13.310 -3.751 1.00 0.00 O ATOM 0 H GLU A 33 4.405 -8.124 -1.891 1.00 0.00 H new ATOM 0 HA GLU A 33 1.701 -9.233 -1.501 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.968 -9.737 -3.575 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.249 -10.444 -2.611 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.687 -12.160 -1.761 1.00 0.00 H new ATOM 0 HG3 GLU A 33 1.376 -11.438 -2.672 1.00 0.00 H new ATOM 567 N SER A 34 2.170 -10.488 0.593 1.00 0.00 N ATOM 568 CA SER A 34 2.397 -11.060 1.910 1.00 0.00 C ATOM 569 C SER A 34 3.157 -12.380 1.818 1.00 0.00 C ATOM 570 O SER A 34 2.929 -13.194 0.920 1.00 0.00 O ATOM 571 CB SER A 34 1.062 -11.266 2.620 1.00 0.00 C ATOM 572 OG SER A 34 0.326 -10.054 2.667 1.00 0.00 O ATOM 0 H SER A 34 1.192 -10.476 0.302 1.00 0.00 H new ATOM 0 HA SER A 34 3.008 -10.364 2.485 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.482 -12.029 2.101 1.00 0.00 H new ATOM 0 HB3 SER A 34 1.235 -11.631 3.632 1.00 0.00 H new ATOM 0 HG SER A 34 -0.227 -9.975 1.862 1.00 0.00 H new ATOM 578 N GLU A 35 4.068 -12.563 2.770 1.00 0.00 N ATOM 579 CA GLU A 35 4.942 -13.727 2.825 1.00 0.00 C ATOM 580 C GLU A 35 4.157 -15.016 3.056 1.00 0.00 C ATOM 581 O GLU A 35 4.484 -16.055 2.490 1.00 0.00 O ATOM 582 CB GLU A 35 5.968 -13.540 3.945 1.00 0.00 C ATOM 583 CG GLU A 35 5.330 -13.220 5.291 1.00 0.00 C ATOM 584 CD GLU A 35 6.327 -13.162 6.426 1.00 0.00 C ATOM 585 OE1 GLU A 35 6.657 -14.226 6.985 1.00 0.00 O ATOM 586 OE2 GLU A 35 6.765 -12.049 6.781 1.00 0.00 O ATOM 0 H GLU A 35 4.220 -11.901 3.531 1.00 0.00 H new ATOM 0 HA GLU A 35 5.447 -13.815 1.863 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.564 -14.447 4.039 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.652 -12.736 3.673 1.00 0.00 H new ATOM 0 HG2 GLU A 35 4.813 -12.263 5.222 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.576 -13.974 5.517 1.00 0.00 H new ATOM 593 N THR A 36 3.132 -14.943 3.894 1.00 0.00 N ATOM 594 CA THR A 36 2.355 -16.118 4.251 1.00 0.00 C ATOM 595 C THR A 36 1.019 -16.149 3.520 1.00 0.00 C ATOM 596 O THR A 36 0.783 -17.017 2.678 1.00 0.00 O ATOM 597 CB THR A 36 2.114 -16.168 5.769 1.00 0.00 C ATOM 598 OG1 THR A 36 1.804 -14.854 6.257 1.00 0.00 O ATOM 599 CG2 THR A 36 3.336 -16.711 6.489 1.00 0.00 C ATOM 0 H THR A 36 2.820 -14.080 4.339 1.00 0.00 H new ATOM 0 HA THR A 36 2.932 -16.992 3.949 1.00 0.00 H new ATOM 0 HB THR A 36 1.273 -16.834 5.964 1.00 0.00 H new ATOM 0 HG1 THR A 36 1.650 -14.892 7.224 1.00 0.00 H new ATOM 0 HG21 THR A 36 3.144 -16.738 7.562 1.00 0.00 H new ATOM 0 HG22 THR A 36 3.550 -17.719 6.133 1.00 0.00 H new ATOM 0 HG23 THR A 36 4.192 -16.066 6.290 1.00 0.00 H new ATOM 607 N THR A 37 0.154 -15.202 3.845 1.00 0.00 N ATOM 608 CA THR A 37 -1.176 -15.141 3.264 1.00 0.00 C ATOM 609 C THR A 37 -1.117 -14.731 1.795 1.00 0.00 C ATOM 610 O THR A 37 -0.990 -13.549 1.473 1.00 0.00 O ATOM 611 CB THR A 37 -2.059 -14.143 4.036 1.00 0.00 C ATOM 612 OG1 THR A 37 -1.863 -14.318 5.445 1.00 0.00 O ATOM 613 CG2 THR A 37 -3.531 -14.347 3.698 1.00 0.00 C ATOM 0 H THR A 37 0.353 -14.459 4.515 1.00 0.00 H new ATOM 0 HA THR A 37 -1.610 -16.138 3.334 1.00 0.00 H new ATOM 0 HB THR A 37 -1.773 -13.132 3.745 1.00 0.00 H new ATOM 0 HG1 THR A 37 -2.424 -13.681 5.935 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.135 -13.631 4.255 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.683 -14.196 2.629 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.829 -15.360 3.967 1.00 0.00 H new ATOM 621 N LYS A 38 -1.202 -15.711 0.907 1.00 0.00 N ATOM 622 CA LYS A 38 -1.193 -15.442 -0.521 1.00 0.00 C ATOM 623 C LYS A 38 -2.561 -14.951 -0.964 1.00 0.00 C ATOM 624 O LYS A 38 -3.588 -15.519 -0.593 1.00 0.00 O ATOM 625 CB LYS A 38 -0.785 -16.686 -1.308 1.00 0.00 C ATOM 626 CG LYS A 38 0.653 -17.112 -1.066 1.00 0.00 C ATOM 627 CD LYS A 38 1.061 -18.225 -2.014 1.00 0.00 C ATOM 628 CE LYS A 38 2.534 -18.568 -1.869 1.00 0.00 C ATOM 629 NZ LYS A 38 2.963 -19.576 -2.869 1.00 0.00 N ATOM 0 H LYS A 38 -1.278 -16.698 1.151 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.457 -14.664 -0.723 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.449 -17.508 -1.042 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.925 -16.495 -2.372 1.00 0.00 H new ATOM 0 HG2 LYS A 38 1.316 -16.257 -1.198 1.00 0.00 H new ATOM 0 HG3 LYS A 38 0.767 -17.448 -0.035 1.00 0.00 H new ATOM 0 HD2 LYS A 38 0.459 -19.112 -1.816 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.856 -17.923 -3.041 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.131 -17.664 -1.984 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.722 -18.948 -0.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.973 -19.785 -2.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.410 -20.448 -2.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.807 -19.203 -3.827 1.00 0.00 H new ATOM 643 N GLY A 39 -2.566 -13.884 -1.744 1.00 0.00 N ATOM 644 CA GLY A 39 -3.810 -13.246 -2.112 1.00 0.00 C ATOM 645 C GLY A 39 -4.065 -12.028 -1.256 1.00 0.00 C ATOM 646 O GLY A 39 -4.961 -11.236 -1.528 1.00 0.00 O ATOM 0 H GLY A 39 -1.729 -13.447 -2.130 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.778 -12.957 -3.162 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -4.633 -13.952 -2.001 1.00 0.00 H new ATOM 650 N ALA A 40 -3.269 -11.892 -0.205 1.00 0.00 N ATOM 651 CA ALA A 40 -3.320 -10.725 0.651 1.00 0.00 C ATOM 652 C ALA A 40 -2.136 -9.829 0.347 1.00 0.00 C ATOM 653 O ALA A 40 -0.988 -10.275 0.349 1.00 0.00 O ATOM 654 CB ALA A 40 -3.327 -11.124 2.120 1.00 0.00 C ATOM 0 H ALA A 40 -2.575 -12.586 0.074 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.244 -10.182 0.454 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.366 -10.228 2.740 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.199 -11.745 2.324 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.421 -11.685 2.349 1.00 0.00 H new ATOM 660 N TYR A 41 -2.410 -8.576 0.065 1.00 0.00 N ATOM 661 CA TYR A 41 -1.365 -7.642 -0.296 1.00 0.00 C ATOM 662 C TYR A 41 -1.268 -6.513 0.715 1.00 0.00 C ATOM 663 O TYR A 41 -2.269 -6.063 1.262 1.00 0.00 O ATOM 664 CB TYR A 41 -1.596 -7.112 -1.713 1.00 0.00 C ATOM 665 CG TYR A 41 -1.221 -8.124 -2.774 1.00 0.00 C ATOM 666 CD1 TYR A 41 -2.118 -9.103 -3.192 1.00 0.00 C ATOM 667 CD2 TYR A 41 0.045 -8.117 -3.331 1.00 0.00 C ATOM 668 CE1 TYR A 41 -1.755 -10.040 -4.144 1.00 0.00 C ATOM 669 CE2 TYR A 41 0.414 -9.051 -4.275 1.00 0.00 C ATOM 670 CZ TYR A 41 -0.485 -10.009 -4.678 1.00 0.00 C ATOM 671 OH TYR A 41 -0.104 -10.945 -5.615 1.00 0.00 O ATOM 0 H TYR A 41 -3.349 -8.178 0.078 1.00 0.00 H new ATOM 0 HA TYR A 41 -0.410 -8.167 -0.283 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -2.645 -6.839 -1.830 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -1.012 -6.203 -1.858 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -3.111 -9.132 -2.768 1.00 0.00 H new ATOM 0 HD2 TYR A 41 0.757 -7.366 -3.021 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -2.462 -10.790 -4.466 1.00 0.00 H new ATOM 0 HE2 TYR A 41 1.408 -9.030 -4.697 1.00 0.00 H new ATOM 0 HH TYR A 41 0.635 -11.482 -5.260 1.00 0.00 H new ATOM 681 N CYS A 42 -0.054 -6.076 0.977 1.00 0.00 N ATOM 682 CA CYS A 42 0.187 -5.060 1.982 1.00 0.00 C ATOM 683 C CYS A 42 0.350 -3.688 1.342 1.00 0.00 C ATOM 684 O CYS A 42 1.445 -3.327 0.905 1.00 0.00 O ATOM 685 CB CYS A 42 1.440 -5.408 2.787 1.00 0.00 C ATOM 686 SG CYS A 42 1.373 -7.013 3.625 1.00 0.00 S ATOM 0 H CYS A 42 0.786 -6.410 0.505 1.00 0.00 H new ATOM 0 HA CYS A 42 -0.675 -5.029 2.648 1.00 0.00 H new ATOM 0 HB2 CYS A 42 2.301 -5.397 2.118 1.00 0.00 H new ATOM 0 HB3 CYS A 42 1.605 -4.630 3.532 1.00 0.00 H new ATOM 0 HG CYS A 42 0.894 -7.907 2.812 1.00 0.00 H new ATOM 692 N LEU A 43 -0.741 -2.941 1.267 1.00 0.00 N ATOM 693 CA LEU A 43 -0.682 -1.559 0.819 1.00 0.00 C ATOM 694 C LEU A 43 -0.244 -0.708 2.000 1.00 0.00 C ATOM 695 O LEU A 43 -1.044 -0.380 2.876 1.00 0.00 O ATOM 696 CB LEU A 43 -2.054 -1.106 0.283 1.00 0.00 C ATOM 697 CG LEU A 43 -2.081 0.180 -0.574 1.00 0.00 C ATOM 698 CD1 LEU A 43 -1.773 1.417 0.258 1.00 0.00 C ATOM 699 CD2 LEU A 43 -1.110 0.081 -1.742 1.00 0.00 C ATOM 0 H LEU A 43 -1.676 -3.268 1.510 1.00 0.00 H new ATOM 0 HA LEU A 43 0.031 -1.452 0.001 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.471 -1.919 -0.312 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.719 -0.960 1.134 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.093 0.280 -0.968 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.801 2.301 -0.380 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.515 1.517 1.050 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.781 1.320 0.700 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.150 1.000 -2.327 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.098 -0.064 -1.363 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.385 -0.764 -2.373 1.00 0.00 H new ATOM 711 N SER A 44 1.033 -0.391 2.042 1.00 0.00 N ATOM 712 CA SER A 44 1.589 0.332 3.162 1.00 0.00 C ATOM 713 C SER A 44 1.690 1.815 2.848 1.00 0.00 C ATOM 714 O SER A 44 2.154 2.206 1.774 1.00 0.00 O ATOM 715 CB SER A 44 2.954 -0.242 3.515 1.00 0.00 C ATOM 716 OG SER A 44 2.861 -1.644 3.695 1.00 0.00 O ATOM 0 H SER A 44 1.705 -0.624 1.311 1.00 0.00 H new ATOM 0 HA SER A 44 0.927 0.219 4.021 1.00 0.00 H new ATOM 0 HB2 SER A 44 3.668 -0.016 2.723 1.00 0.00 H new ATOM 0 HB3 SER A 44 3.329 0.225 4.426 1.00 0.00 H new ATOM 0 HG SER A 44 2.983 -1.861 4.643 1.00 0.00 H new ATOM 722 N VAL A 45 1.237 2.631 3.785 1.00 0.00 N ATOM 723 CA VAL A 45 1.222 4.073 3.610 1.00 0.00 C ATOM 724 C VAL A 45 2.208 4.721 4.567 1.00 0.00 C ATOM 725 O VAL A 45 2.327 4.293 5.721 1.00 0.00 O ATOM 726 CB VAL A 45 -0.181 4.661 3.884 1.00 0.00 C ATOM 727 CG1 VAL A 45 -0.308 6.051 3.282 1.00 0.00 C ATOM 728 CG2 VAL A 45 -1.275 3.741 3.364 1.00 0.00 C ATOM 0 H VAL A 45 0.871 2.315 4.683 1.00 0.00 H new ATOM 0 HA VAL A 45 1.499 4.280 2.576 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.305 4.745 4.964 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -1.303 6.446 3.486 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.441 6.708 3.723 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -0.154 5.996 2.204 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.250 4.182 3.572 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -1.158 3.608 2.288 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -1.202 2.773 3.859 1.00 0.00 H new ATOM 738 N SER A 46 2.927 5.725 4.094 1.00 0.00 N ATOM 739 CA SER A 46 3.808 6.488 4.957 1.00 0.00 C ATOM 740 C SER A 46 2.980 7.465 5.791 1.00 0.00 C ATOM 741 O SER A 46 2.607 8.549 5.338 1.00 0.00 O ATOM 742 CB SER A 46 4.878 7.213 4.133 1.00 0.00 C ATOM 743 OG SER A 46 4.304 8.105 3.186 1.00 0.00 O ATOM 0 H SER A 46 2.917 6.029 3.120 1.00 0.00 H new ATOM 0 HA SER A 46 4.329 5.811 5.635 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.537 7.768 4.801 1.00 0.00 H new ATOM 0 HB3 SER A 46 5.495 6.480 3.614 1.00 0.00 H new ATOM 0 HG SER A 46 4.986 8.738 2.878 1.00 0.00 H new ATOM 749 N ASP A 47 2.674 7.049 7.008 1.00 0.00 N ATOM 750 CA ASP A 47 1.798 7.807 7.883 1.00 0.00 C ATOM 751 C ASP A 47 2.614 8.811 8.674 1.00 0.00 C ATOM 752 O ASP A 47 3.711 8.504 9.133 1.00 0.00 O ATOM 753 CB ASP A 47 1.057 6.862 8.832 1.00 0.00 C ATOM 754 CG ASP A 47 0.027 7.578 9.687 1.00 0.00 C ATOM 755 OD1 ASP A 47 -1.113 7.772 9.214 1.00 0.00 O ATOM 756 OD2 ASP A 47 0.354 7.946 10.836 1.00 0.00 O ATOM 0 H ASP A 47 3.024 6.182 7.415 1.00 0.00 H new ATOM 0 HA ASP A 47 1.063 8.341 7.280 1.00 0.00 H new ATOM 0 HB2 ASP A 47 0.563 6.084 8.250 1.00 0.00 H new ATOM 0 HB3 ASP A 47 1.779 6.365 9.480 1.00 0.00 H new ATOM 761 N PHE A 48 2.088 10.010 8.823 1.00 0.00 N ATOM 762 CA PHE A 48 2.803 11.051 9.536 1.00 0.00 C ATOM 763 C PHE A 48 1.984 11.572 10.700 1.00 0.00 C ATOM 764 O PHE A 48 0.852 12.032 10.532 1.00 0.00 O ATOM 765 CB PHE A 48 3.169 12.207 8.603 1.00 0.00 C ATOM 766 CG PHE A 48 4.000 13.275 9.267 1.00 0.00 C ATOM 767 CD1 PHE A 48 5.360 13.095 9.454 1.00 0.00 C ATOM 768 CD2 PHE A 48 3.418 14.452 9.713 1.00 0.00 C ATOM 769 CE1 PHE A 48 6.125 14.067 10.069 1.00 0.00 C ATOM 770 CE2 PHE A 48 4.180 15.428 10.329 1.00 0.00 C ATOM 771 CZ PHE A 48 5.533 15.234 10.507 1.00 0.00 C ATOM 0 H PHE A 48 1.175 10.287 8.463 1.00 0.00 H new ATOM 0 HA PHE A 48 3.722 10.610 9.922 1.00 0.00 H new ATOM 0 HB2 PHE A 48 3.715 11.813 7.746 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.254 12.657 8.218 1.00 0.00 H new ATOM 0 HD1 PHE A 48 5.829 12.183 9.115 1.00 0.00 H new ATOM 0 HD2 PHE A 48 2.358 14.608 9.578 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.185 13.914 10.207 1.00 0.00 H new ATOM 0 HE2 PHE A 48 3.715 16.341 10.670 1.00 0.00 H new ATOM 0 HZ PHE A 48 6.129 15.995 10.989 1.00 0.00 H new ATOM 781 N ASP A 49 2.568 11.475 11.873 1.00 0.00 N ATOM 782 CA ASP A 49 2.000 12.052 13.077 1.00 0.00 C ATOM 783 C ASP A 49 2.817 13.277 13.445 1.00 0.00 C ATOM 784 O ASP A 49 4.001 13.346 13.128 1.00 0.00 O ATOM 785 CB ASP A 49 2.040 11.035 14.215 1.00 0.00 C ATOM 786 CG ASP A 49 1.428 11.563 15.494 1.00 0.00 C ATOM 787 OD1 ASP A 49 0.189 11.566 15.619 1.00 0.00 O ATOM 788 OD2 ASP A 49 2.195 11.975 16.381 1.00 0.00 O ATOM 0 H ASP A 49 3.454 10.992 12.023 1.00 0.00 H new ATOM 0 HA ASP A 49 0.960 12.331 12.905 1.00 0.00 H new ATOM 0 HB2 ASP A 49 1.510 10.133 13.909 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.074 10.748 14.404 1.00 0.00 H new ATOM 793 N ASN A 50 2.201 14.234 14.117 1.00 0.00 N ATOM 794 CA ASN A 50 2.862 15.505 14.400 1.00 0.00 C ATOM 795 C ASN A 50 3.731 15.411 15.650 1.00 0.00 C ATOM 796 O ASN A 50 4.392 16.377 16.031 1.00 0.00 O ATOM 797 CB ASN A 50 1.830 16.633 14.550 1.00 0.00 C ATOM 798 CG ASN A 50 1.009 16.522 15.821 1.00 0.00 C ATOM 799 OD1 ASN A 50 -0.002 15.820 15.863 1.00 0.00 O ATOM 800 ND2 ASN A 50 1.424 17.238 16.856 1.00 0.00 N ATOM 0 H ASN A 50 1.249 14.160 14.477 1.00 0.00 H new ATOM 0 HA ASN A 50 3.510 15.736 13.555 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.346 17.593 14.540 1.00 0.00 H new ATOM 0 HB3 ASN A 50 1.161 16.622 13.690 1.00 0.00 H new ATOM 0 HD21 ASN A 50 0.900 17.221 17.731 1.00 0.00 H new ATOM 0 HD22 ASN A 50 2.268 17.806 16.778 1.00 0.00 H new ATOM 807 N ALA A 51 3.721 14.249 16.285 1.00 0.00 N ATOM 808 CA ALA A 51 4.561 14.004 17.445 1.00 0.00 C ATOM 809 C ALA A 51 5.459 12.790 17.220 1.00 0.00 C ATOM 810 O ALA A 51 6.654 12.824 17.520 1.00 0.00 O ATOM 811 CB ALA A 51 3.703 13.807 18.684 1.00 0.00 C ATOM 0 H ALA A 51 3.137 13.458 16.014 1.00 0.00 H new ATOM 0 HA ALA A 51 5.199 14.875 17.595 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.345 13.624 19.546 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.106 14.702 18.859 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.042 12.953 18.537 1.00 0.00 H new ATOM 817 N LYS A 52 4.878 11.721 16.684 1.00 0.00 N ATOM 818 CA LYS A 52 5.618 10.485 16.462 1.00 0.00 C ATOM 819 C LYS A 52 6.420 10.549 15.169 1.00 0.00 C ATOM 820 O LYS A 52 7.430 9.862 15.020 1.00 0.00 O ATOM 821 CB LYS A 52 4.671 9.284 16.418 1.00 0.00 C ATOM 822 CG LYS A 52 3.852 9.104 17.686 1.00 0.00 C ATOM 823 CD LYS A 52 2.998 7.846 17.621 1.00 0.00 C ATOM 824 CE LYS A 52 2.149 7.679 18.870 1.00 0.00 C ATOM 825 NZ LYS A 52 2.971 7.697 20.108 1.00 0.00 N ATOM 0 H LYS A 52 3.900 11.686 16.396 1.00 0.00 H new ATOM 0 HA LYS A 52 6.308 10.364 17.297 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.994 9.398 15.572 1.00 0.00 H new ATOM 0 HB3 LYS A 52 5.253 8.380 16.241 1.00 0.00 H new ATOM 0 HG2 LYS A 52 4.518 9.049 18.547 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.211 9.973 17.834 1.00 0.00 H new ATOM 0 HD2 LYS A 52 2.352 7.890 16.745 1.00 0.00 H new ATOM 0 HD3 LYS A 52 3.642 6.975 17.499 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.409 8.478 18.915 1.00 0.00 H new ATOM 0 HE3 LYS A 52 1.600 6.739 18.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 2.601 6.995 20.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 3.957 7.466 19.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 2.930 8.643 20.538 1.00 0.00 H new ATOM 839 N GLY A 53 5.969 11.370 14.238 1.00 0.00 N ATOM 840 CA GLY A 53 6.655 11.490 12.967 1.00 0.00 C ATOM 841 C GLY A 53 6.165 10.468 11.965 1.00 0.00 C ATOM 842 O GLY A 53 4.972 10.159 11.922 1.00 0.00 O ATOM 0 H GLY A 53 5.141 11.957 14.337 1.00 0.00 H new ATOM 0 HA2 GLY A 53 6.505 12.493 12.566 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.727 11.365 13.119 1.00 0.00 H new ATOM 846 N LEU A 54 7.077 9.926 11.173 1.00 0.00 N ATOM 847 CA LEU A 54 6.719 8.958 10.147 1.00 0.00 C ATOM 848 C LEU A 54 6.594 7.556 10.728 1.00 0.00 C ATOM 849 O LEU A 54 7.402 7.133 11.555 1.00 0.00 O ATOM 850 CB LEU A 54 7.753 8.964 9.018 1.00 0.00 C ATOM 851 CG LEU A 54 7.733 10.205 8.121 1.00 0.00 C ATOM 852 CD1 LEU A 54 8.878 10.156 7.120 1.00 0.00 C ATOM 853 CD2 LEU A 54 6.399 10.314 7.394 1.00 0.00 C ATOM 0 H LEU A 54 8.073 10.140 11.221 1.00 0.00 H new ATOM 0 HA LEU A 54 5.749 9.249 9.744 1.00 0.00 H new ATOM 0 HB2 LEU A 54 8.746 8.868 9.456 1.00 0.00 H new ATOM 0 HB3 LEU A 54 7.593 8.083 8.396 1.00 0.00 H new ATOM 0 HG LEU A 54 7.859 11.087 8.749 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.849 11.045 6.490 1.00 0.00 H new ATOM 0 HD12 LEU A 54 9.827 10.120 7.654 1.00 0.00 H new ATOM 0 HD13 LEU A 54 8.779 9.267 6.497 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.401 11.201 6.761 1.00 0.00 H new ATOM 0 HD22 LEU A 54 6.247 9.428 6.777 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.592 10.391 8.123 1.00 0.00 H new ATOM 865 N ASN A 55 5.563 6.853 10.297 1.00 0.00 N ATOM 866 CA ASN A 55 5.348 5.465 10.675 1.00 0.00 C ATOM 867 C ASN A 55 4.704 4.741 9.506 1.00 0.00 C ATOM 868 O ASN A 55 4.071 5.371 8.661 1.00 0.00 O ATOM 869 CB ASN A 55 4.458 5.366 11.926 1.00 0.00 C ATOM 870 CG ASN A 55 3.018 5.777 11.667 1.00 0.00 C ATOM 871 OD1 ASN A 55 2.163 4.939 11.366 1.00 0.00 O ATOM 872 ND2 ASN A 55 2.738 7.066 11.786 1.00 0.00 N ATOM 0 H ASN A 55 4.848 7.228 9.673 1.00 0.00 H new ATOM 0 HA ASN A 55 6.305 5.003 10.917 1.00 0.00 H new ATOM 0 HB2 ASN A 55 4.476 4.341 12.297 1.00 0.00 H new ATOM 0 HB3 ASN A 55 4.874 5.997 12.711 1.00 0.00 H new ATOM 0 HD21 ASN A 55 1.787 7.398 11.627 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.474 7.727 12.037 1.00 0.00 H new ATOM 879 N VAL A 56 4.882 3.438 9.426 1.00 0.00 N ATOM 880 CA VAL A 56 4.319 2.686 8.319 1.00 0.00 C ATOM 881 C VAL A 56 3.006 2.036 8.716 1.00 0.00 C ATOM 882 O VAL A 56 2.963 1.172 9.593 1.00 0.00 O ATOM 883 CB VAL A 56 5.284 1.604 7.794 1.00 0.00 C ATOM 884 CG1 VAL A 56 4.671 0.872 6.608 1.00 0.00 C ATOM 885 CG2 VAL A 56 6.617 2.223 7.407 1.00 0.00 C ATOM 0 H VAL A 56 5.404 2.882 10.103 1.00 0.00 H new ATOM 0 HA VAL A 56 4.145 3.404 7.517 1.00 0.00 H new ATOM 0 HB VAL A 56 5.458 0.881 8.591 1.00 0.00 H new ATOM 0 HG11 VAL A 56 5.366 0.112 6.251 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.740 0.396 6.916 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.468 1.583 5.807 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.286 1.445 7.039 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.460 2.966 6.626 1.00 0.00 H new ATOM 0 HG23 VAL A 56 7.063 2.702 8.279 1.00 0.00 H new ATOM 895 N LYS A 57 1.942 2.471 8.066 1.00 0.00 N ATOM 896 CA LYS A 57 0.620 1.924 8.298 1.00 0.00 C ATOM 897 C LYS A 57 0.377 0.748 7.354 1.00 0.00 C ATOM 898 O LYS A 57 0.174 0.938 6.153 1.00 0.00 O ATOM 899 CB LYS A 57 -0.428 3.016 8.073 1.00 0.00 C ATOM 900 CG LYS A 57 -1.844 2.602 8.428 1.00 0.00 C ATOM 901 CD LYS A 57 -2.844 3.670 8.020 1.00 0.00 C ATOM 902 CE LYS A 57 -2.646 4.969 8.787 1.00 0.00 C ATOM 903 NZ LYS A 57 -2.937 4.822 10.239 1.00 0.00 N ATOM 0 H LYS A 57 1.971 3.211 7.365 1.00 0.00 H new ATOM 0 HA LYS A 57 0.544 1.567 9.325 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.158 3.891 8.665 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.402 3.319 7.026 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -2.087 1.663 7.931 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.916 2.423 9.501 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.750 3.864 6.951 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.856 3.301 8.189 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.619 5.311 8.658 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -3.293 5.738 8.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -2.937 5.759 10.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -3.869 4.378 10.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -2.208 4.226 10.680 1.00 0.00 H new ATOM 917 N HIS A 58 0.423 -0.461 7.897 1.00 0.00 N ATOM 918 CA HIS A 58 0.264 -1.667 7.091 1.00 0.00 C ATOM 919 C HIS A 58 -1.211 -2.028 6.937 1.00 0.00 C ATOM 920 O HIS A 58 -1.850 -2.480 7.888 1.00 0.00 O ATOM 921 CB HIS A 58 1.011 -2.855 7.722 1.00 0.00 C ATOM 922 CG HIS A 58 2.494 -2.664 7.863 1.00 0.00 C ATOM 923 ND1 HIS A 58 3.387 -3.329 7.053 1.00 0.00 N ATOM 924 CD2 HIS A 58 3.186 -1.907 8.750 1.00 0.00 C ATOM 925 CE1 HIS A 58 4.590 -2.963 7.465 1.00 0.00 C ATOM 926 NE2 HIS A 58 4.517 -2.107 8.486 1.00 0.00 N ATOM 0 H HIS A 58 0.569 -0.634 8.892 1.00 0.00 H new ATOM 0 HA HIS A 58 0.688 -1.459 6.109 1.00 0.00 H new ATOM 0 HB2 HIS A 58 0.589 -3.049 8.708 1.00 0.00 H new ATOM 0 HB3 HIS A 58 0.829 -3.743 7.117 1.00 0.00 H new ATOM 0 HD2 HIS A 58 2.770 -1.270 9.516 1.00 0.00 H new ATOM 0 HE1 HIS A 58 5.514 -3.313 7.030 1.00 0.00 H new ATOM 0 HE2 HIS A 58 5.303 -1.682 8.978 1.00 0.00 H new ATOM 934 N TYR A 59 -1.752 -1.813 5.743 1.00 0.00 N ATOM 935 CA TYR A 59 -3.120 -2.214 5.448 1.00 0.00 C ATOM 936 C TYR A 59 -3.147 -3.574 4.766 1.00 0.00 C ATOM 937 O TYR A 59 -2.367 -3.839 3.847 1.00 0.00 O ATOM 938 CB TYR A 59 -3.826 -1.174 4.578 1.00 0.00 C ATOM 939 CG TYR A 59 -4.457 -0.046 5.363 1.00 0.00 C ATOM 940 CD1 TYR A 59 -5.177 -0.299 6.527 1.00 0.00 C ATOM 941 CD2 TYR A 59 -4.349 1.270 4.934 1.00 0.00 C ATOM 942 CE1 TYR A 59 -5.767 0.727 7.237 1.00 0.00 C ATOM 943 CE2 TYR A 59 -4.942 2.300 5.638 1.00 0.00 C ATOM 944 CZ TYR A 59 -5.650 2.024 6.787 1.00 0.00 C ATOM 945 OH TYR A 59 -6.242 3.051 7.487 1.00 0.00 O ATOM 0 H TYR A 59 -1.265 -1.365 4.967 1.00 0.00 H new ATOM 0 HA TYR A 59 -3.655 -2.286 6.395 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -3.107 -0.756 3.873 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.598 -1.670 3.989 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -5.276 -1.315 6.880 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -3.792 1.492 4.035 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -6.318 0.514 8.141 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -4.851 3.318 5.289 1.00 0.00 H new ATOM 0 HH TYR A 59 -6.062 3.902 7.035 1.00 0.00 H new ATOM 955 N LYS A 60 -4.049 -4.431 5.218 1.00 0.00 N ATOM 956 CA LYS A 60 -4.133 -5.792 4.716 1.00 0.00 C ATOM 957 C LYS A 60 -5.172 -5.903 3.607 1.00 0.00 C ATOM 958 O LYS A 60 -6.376 -5.929 3.871 1.00 0.00 O ATOM 959 CB LYS A 60 -4.486 -6.754 5.852 1.00 0.00 C ATOM 960 CG LYS A 60 -3.520 -6.697 7.022 1.00 0.00 C ATOM 961 CD LYS A 60 -3.944 -7.629 8.141 1.00 0.00 C ATOM 962 CE LYS A 60 -3.036 -7.482 9.350 1.00 0.00 C ATOM 963 NZ LYS A 60 -3.419 -8.401 10.451 1.00 0.00 N ATOM 0 H LYS A 60 -4.737 -4.205 5.936 1.00 0.00 H new ATOM 0 HA LYS A 60 -3.159 -6.060 4.306 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -5.490 -6.527 6.210 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -4.510 -7.771 5.461 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -2.520 -6.966 6.682 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -3.464 -5.676 7.399 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -4.973 -7.413 8.427 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -3.920 -8.660 7.788 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -2.005 -7.680 9.055 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -3.073 -6.453 9.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -2.773 -8.267 11.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -4.393 -8.196 10.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -3.359 -9.385 10.119 1.00 0.00 H new ATOM 977 N ILE A 61 -4.704 -5.960 2.373 1.00 0.00 N ATOM 978 CA ILE A 61 -5.574 -6.181 1.229 1.00 0.00 C ATOM 979 C ILE A 61 -5.850 -7.670 1.081 1.00 0.00 C ATOM 980 O ILE A 61 -5.133 -8.374 0.377 1.00 0.00 O ATOM 981 CB ILE A 61 -4.950 -5.656 -0.085 1.00 0.00 C ATOM 982 CG1 ILE A 61 -4.600 -4.172 0.035 1.00 0.00 C ATOM 983 CG2 ILE A 61 -5.897 -5.884 -1.254 1.00 0.00 C ATOM 984 CD1 ILE A 61 -3.983 -3.591 -1.223 1.00 0.00 C ATOM 0 H ILE A 61 -3.718 -5.855 2.135 1.00 0.00 H new ATOM 0 HA ILE A 61 -6.498 -5.632 1.409 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.030 -6.211 -0.270 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.503 -3.613 0.279 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.907 -4.036 0.866 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.441 -5.508 -2.170 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -6.096 -6.951 -1.359 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -6.833 -5.357 -1.072 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.761 -2.536 -1.065 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.062 -4.125 -1.456 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.682 -3.694 -2.053 1.00 0.00 H new ATOM 996 N ARG A 62 -6.866 -8.151 1.771 1.00 0.00 N ATOM 997 CA ARG A 62 -7.222 -9.557 1.699 1.00 0.00 C ATOM 998 C ARG A 62 -8.148 -9.797 0.516 1.00 0.00 C ATOM 999 O ARG A 62 -8.819 -8.876 0.051 1.00 0.00 O ATOM 1000 CB ARG A 62 -7.875 -10.014 3.003 1.00 0.00 C ATOM 1001 CG ARG A 62 -6.913 -10.045 4.182 1.00 0.00 C ATOM 1002 CD ARG A 62 -7.624 -10.427 5.470 1.00 0.00 C ATOM 1003 NE ARG A 62 -8.610 -9.425 5.862 1.00 0.00 N ATOM 1004 CZ ARG A 62 -9.776 -9.700 6.436 1.00 0.00 C ATOM 1005 NH1 ARG A 62 -10.125 -10.957 6.689 1.00 0.00 N ATOM 1006 NH2 ARG A 62 -10.598 -8.708 6.752 1.00 0.00 N ATOM 0 H ARG A 62 -7.458 -7.593 2.386 1.00 0.00 H new ATOM 0 HA ARG A 62 -6.315 -10.144 1.555 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -8.705 -9.348 3.238 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -8.296 -11.009 2.861 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -6.113 -10.757 3.982 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -6.447 -9.067 4.299 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -8.117 -11.391 5.341 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -6.891 -10.548 6.268 1.00 0.00 H new ATOM 0 HE ARG A 62 -8.388 -8.446 5.683 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -9.495 -11.721 6.442 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -11.022 -11.158 7.130 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -10.333 -7.743 6.554 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -11.495 -8.910 7.193 1.00 0.00 H new ATOM 1020 N LYS A 63 -8.170 -11.024 0.024 1.00 0.00 N ATOM 1021 CA LYS A 63 -8.968 -11.354 -1.141 1.00 0.00 C ATOM 1022 C LYS A 63 -10.177 -12.195 -0.763 1.00 0.00 C ATOM 1023 O LYS A 63 -10.186 -12.877 0.260 1.00 0.00 O ATOM 1024 CB LYS A 63 -8.132 -12.114 -2.177 1.00 0.00 C ATOM 1025 CG LYS A 63 -7.638 -13.465 -1.687 1.00 0.00 C ATOM 1026 CD LYS A 63 -7.014 -14.281 -2.810 1.00 0.00 C ATOM 1027 CE LYS A 63 -8.054 -14.710 -3.832 1.00 0.00 C ATOM 1028 NZ LYS A 63 -7.455 -15.515 -4.929 1.00 0.00 N ATOM 0 H LYS A 63 -7.644 -11.806 0.414 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.312 -10.414 -1.572 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -8.729 -12.259 -3.077 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.274 -11.503 -2.458 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.905 -13.318 -0.894 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -8.470 -14.020 -1.253 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.240 -13.692 -3.302 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.527 -15.163 -2.393 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.831 -15.293 -3.337 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.536 -13.827 -4.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.197 -15.788 -5.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.731 -14.951 -5.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.017 -16.371 -4.532 1.00 0.00 H new ATOM 1042 N LEU A 64 -11.189 -12.120 -1.602 1.00 0.00 N ATOM 1043 CA LEU A 64 -12.358 -12.970 -1.494 1.00 0.00 C ATOM 1044 C LEU A 64 -12.333 -13.986 -2.624 1.00 0.00 C ATOM 1045 O LEU A 64 -11.963 -13.656 -3.751 1.00 0.00 O ATOM 1046 CB LEU A 64 -13.638 -12.139 -1.583 1.00 0.00 C ATOM 1047 CG LEU A 64 -13.860 -11.147 -0.444 1.00 0.00 C ATOM 1048 CD1 LEU A 64 -15.117 -10.334 -0.698 1.00 0.00 C ATOM 1049 CD2 LEU A 64 -13.949 -11.876 0.889 1.00 0.00 C ATOM 0 H LEU A 64 -11.225 -11.464 -2.383 1.00 0.00 H new ATOM 0 HA LEU A 64 -12.342 -13.478 -0.530 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -13.628 -11.589 -2.524 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -14.489 -12.819 -1.620 1.00 0.00 H new ATOM 0 HG LEU A 64 -13.010 -10.466 -0.401 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -15.266 -9.630 0.120 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -15.013 -9.786 -1.634 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -15.976 -11.002 -0.763 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -14.107 -11.153 1.689 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -14.782 -12.579 0.865 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -13.021 -12.419 1.069 1.00 0.00 H new ATOM 1061 N ASP A 65 -12.737 -15.212 -2.316 1.00 0.00 N ATOM 1062 CA ASP A 65 -12.717 -16.304 -3.285 1.00 0.00 C ATOM 1063 C ASP A 65 -13.673 -16.028 -4.437 1.00 0.00 C ATOM 1064 O ASP A 65 -13.486 -16.530 -5.541 1.00 0.00 O ATOM 1065 CB ASP A 65 -13.098 -17.626 -2.610 1.00 0.00 C ATOM 1066 CG ASP A 65 -14.567 -17.694 -2.247 1.00 0.00 C ATOM 1067 OD1 ASP A 65 -14.982 -16.991 -1.302 1.00 0.00 O ATOM 1068 OD2 ASP A 65 -15.314 -18.451 -2.907 1.00 0.00 O ATOM 0 H ASP A 65 -13.086 -15.478 -1.395 1.00 0.00 H new ATOM 0 HA ASP A 65 -11.704 -16.380 -3.680 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -12.854 -18.453 -3.276 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -12.499 -17.755 -1.709 1.00 0.00 H new ATOM 1073 N SER A 66 -14.690 -15.221 -4.174 1.00 0.00 N ATOM 1074 CA SER A 66 -15.687 -14.905 -5.180 1.00 0.00 C ATOM 1075 C SER A 66 -15.989 -13.406 -5.169 1.00 0.00 C ATOM 1076 O SER A 66 -17.148 -12.990 -5.210 1.00 0.00 O ATOM 1077 CB SER A 66 -16.958 -15.721 -4.921 1.00 0.00 C ATOM 1078 OG SER A 66 -17.882 -15.609 -5.991 1.00 0.00 O ATOM 0 H SER A 66 -14.845 -14.774 -3.270 1.00 0.00 H new ATOM 0 HA SER A 66 -15.302 -15.166 -6.166 1.00 0.00 H new ATOM 0 HB2 SER A 66 -16.694 -16.769 -4.776 1.00 0.00 H new ATOM 0 HB3 SER A 66 -17.427 -15.380 -3.998 1.00 0.00 H new ATOM 0 HG SER A 66 -18.135 -14.669 -6.108 1.00 0.00 H new ATOM 1084 N GLY A 67 -14.938 -12.600 -5.107 1.00 0.00 N ATOM 1085 CA GLY A 67 -15.112 -11.161 -5.092 1.00 0.00 C ATOM 1086 C GLY A 67 -13.905 -10.425 -5.636 1.00 0.00 C ATOM 1087 O GLY A 67 -13.905 -9.970 -6.782 1.00 0.00 O ATOM 0 H GLY A 67 -13.969 -12.916 -5.067 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -15.990 -10.898 -5.682 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -15.304 -10.832 -4.071 1.00 0.00 H new ATOM 1091 N GLY A 68 -12.874 -10.316 -4.818 1.00 0.00 N ATOM 1092 CA GLY A 68 -11.681 -9.607 -5.225 1.00 0.00 C ATOM 1093 C GLY A 68 -10.827 -9.209 -4.042 1.00 0.00 C ATOM 1094 O GLY A 68 -10.929 -9.809 -2.974 1.00 0.00 O ATOM 0 H GLY A 68 -12.841 -10.707 -3.876 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -11.098 -10.235 -5.898 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -11.963 -8.715 -5.785 1.00 0.00 H new ATOM 1098 N PHE A 69 -10.005 -8.194 -4.233 1.00 0.00 N ATOM 1099 CA PHE A 69 -9.110 -7.711 -3.193 1.00 0.00 C ATOM 1100 C PHE A 69 -9.712 -6.484 -2.525 1.00 0.00 C ATOM 1101 O PHE A 69 -10.246 -5.600 -3.200 1.00 0.00 O ATOM 1102 CB PHE A 69 -7.747 -7.352 -3.793 1.00 0.00 C ATOM 1103 CG PHE A 69 -7.096 -8.478 -4.548 1.00 0.00 C ATOM 1104 CD1 PHE A 69 -6.299 -9.403 -3.894 1.00 0.00 C ATOM 1105 CD2 PHE A 69 -7.277 -8.604 -5.917 1.00 0.00 C ATOM 1106 CE1 PHE A 69 -5.698 -10.435 -4.590 1.00 0.00 C ATOM 1107 CE2 PHE A 69 -6.675 -9.631 -6.618 1.00 0.00 C ATOM 1108 CZ PHE A 69 -5.885 -10.548 -5.953 1.00 0.00 C ATOM 0 H PHE A 69 -9.937 -7.680 -5.112 1.00 0.00 H new ATOM 0 HA PHE A 69 -8.975 -8.498 -2.451 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -7.869 -6.501 -4.463 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -7.081 -7.033 -2.991 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -6.145 -9.317 -2.828 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -7.896 -7.891 -6.441 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -5.082 -11.152 -4.068 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -6.822 -9.717 -7.685 1.00 0.00 H new ATOM 0 HZ PHE A 69 -5.414 -11.352 -6.499 1.00 0.00 H new ATOM 1118 N TYR A 70 -9.640 -6.433 -1.204 1.00 0.00 N ATOM 1119 CA TYR A 70 -10.173 -5.299 -0.468 1.00 0.00 C ATOM 1120 C TYR A 70 -9.254 -4.914 0.688 1.00 0.00 C ATOM 1121 O TYR A 70 -8.718 -5.771 1.390 1.00 0.00 O ATOM 1122 CB TYR A 70 -11.588 -5.609 0.049 1.00 0.00 C ATOM 1123 CG TYR A 70 -11.665 -6.745 1.050 1.00 0.00 C ATOM 1124 CD1 TYR A 70 -11.779 -8.066 0.630 1.00 0.00 C ATOM 1125 CD2 TYR A 70 -11.631 -6.495 2.417 1.00 0.00 C ATOM 1126 CE1 TYR A 70 -11.854 -9.098 1.543 1.00 0.00 C ATOM 1127 CE2 TYR A 70 -11.704 -7.525 3.335 1.00 0.00 C ATOM 1128 CZ TYR A 70 -11.816 -8.823 2.891 1.00 0.00 C ATOM 1129 OH TYR A 70 -11.890 -9.854 3.799 1.00 0.00 O ATOM 0 H TYR A 70 -9.220 -7.159 -0.623 1.00 0.00 H new ATOM 0 HA TYR A 70 -10.230 -4.451 -1.150 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -11.996 -4.709 0.510 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -12.226 -5.849 -0.802 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -11.809 -8.287 -0.427 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -11.546 -5.477 2.768 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -11.942 -10.119 1.201 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -11.673 -7.313 4.394 1.00 0.00 H new ATOM 0 HH TYR A 70 -11.498 -10.663 3.408 1.00 0.00 H new ATOM 1139 N ILE A 71 -9.060 -3.611 0.860 1.00 0.00 N ATOM 1140 CA ILE A 71 -8.284 -3.088 1.979 1.00 0.00 C ATOM 1141 C ILE A 71 -9.171 -3.006 3.215 1.00 0.00 C ATOM 1142 O ILE A 71 -8.709 -3.081 4.353 1.00 0.00 O ATOM 1143 CB ILE A 71 -7.724 -1.681 1.661 1.00 0.00 C ATOM 1144 CG1 ILE A 71 -6.949 -1.699 0.339 1.00 0.00 C ATOM 1145 CG2 ILE A 71 -6.832 -1.190 2.793 1.00 0.00 C ATOM 1146 CD1 ILE A 71 -6.373 -0.355 -0.051 1.00 0.00 C ATOM 0 H ILE A 71 -9.431 -2.895 0.236 1.00 0.00 H new ATOM 0 HA ILE A 71 -7.446 -3.761 2.159 1.00 0.00 H new ATOM 0 HB ILE A 71 -8.563 -0.993 1.562 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -6.138 -2.423 0.414 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -7.612 -2.044 -0.455 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -6.448 -0.199 2.550 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -7.410 -1.139 3.716 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -5.998 -1.880 2.925 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -5.839 -0.448 -0.997 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -7.180 0.369 -0.160 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -5.684 -0.016 0.723 1.00 0.00 H new ATOM 1158 N THR A 72 -10.458 -2.861 2.960 1.00 0.00 N ATOM 1159 CA THR A 72 -11.461 -2.735 3.997 1.00 0.00 C ATOM 1160 C THR A 72 -12.800 -3.190 3.425 1.00 0.00 C ATOM 1161 O THR A 72 -12.922 -3.359 2.208 1.00 0.00 O ATOM 1162 CB THR A 72 -11.553 -1.273 4.497 1.00 0.00 C ATOM 1163 OG1 THR A 72 -12.548 -1.147 5.524 1.00 0.00 O ATOM 1164 CG2 THR A 72 -11.877 -0.322 3.352 1.00 0.00 C ATOM 0 H THR A 72 -10.839 -2.827 2.015 1.00 0.00 H new ATOM 0 HA THR A 72 -11.189 -3.356 4.850 1.00 0.00 H new ATOM 0 HB THR A 72 -10.580 -1.006 4.910 1.00 0.00 H new ATOM 0 HG1 THR A 72 -12.589 -0.216 5.827 1.00 0.00 H new ATOM 0 HG21 THR A 72 -11.936 0.698 3.732 1.00 0.00 H new ATOM 0 HG22 THR A 72 -11.094 -0.383 2.596 1.00 0.00 H new ATOM 0 HG23 THR A 72 -12.833 -0.599 2.908 1.00 0.00 H new ATOM 1172 N SER A 73 -13.798 -3.386 4.277 1.00 0.00 N ATOM 1173 CA SER A 73 -15.097 -3.872 3.827 1.00 0.00 C ATOM 1174 C SER A 73 -15.912 -2.711 3.250 1.00 0.00 C ATOM 1175 O SER A 73 -17.033 -2.436 3.673 1.00 0.00 O ATOM 1176 CB SER A 73 -15.846 -4.544 4.984 1.00 0.00 C ATOM 1177 OG SER A 73 -16.911 -5.354 4.510 1.00 0.00 O ATOM 0 H SER A 73 -13.734 -3.217 5.281 1.00 0.00 H new ATOM 0 HA SER A 73 -14.949 -4.616 3.045 1.00 0.00 H new ATOM 0 HB2 SER A 73 -15.153 -5.154 5.563 1.00 0.00 H new ATOM 0 HB3 SER A 73 -16.238 -3.782 5.657 1.00 0.00 H new ATOM 0 HG SER A 73 -17.369 -5.770 5.270 1.00 0.00 H new ATOM 1183 N ARG A 74 -15.314 -2.024 2.290 1.00 0.00 N ATOM 1184 CA ARG A 74 -15.931 -0.886 1.642 1.00 0.00 C ATOM 1185 C ARG A 74 -15.935 -1.069 0.133 1.00 0.00 C ATOM 1186 O ARG A 74 -16.947 -1.444 -0.460 1.00 0.00 O ATOM 1187 CB ARG A 74 -15.166 0.378 2.003 1.00 0.00 C ATOM 1188 CG ARG A 74 -15.569 0.984 3.327 1.00 0.00 C ATOM 1189 CD ARG A 74 -16.855 1.771 3.180 1.00 0.00 C ATOM 1190 NE ARG A 74 -16.764 2.730 2.081 1.00 0.00 N ATOM 1191 CZ ARG A 74 -17.792 3.099 1.321 1.00 0.00 C ATOM 1192 NH1 ARG A 74 -18.993 2.552 1.498 1.00 0.00 N ATOM 1193 NH2 ARG A 74 -17.605 3.994 0.360 1.00 0.00 N ATOM 0 H ARG A 74 -14.382 -2.244 1.939 1.00 0.00 H new ATOM 0 HA ARG A 74 -16.962 -0.802 1.985 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -14.100 0.150 2.029 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -15.315 1.118 1.216 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -15.700 0.197 4.069 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -14.776 1.637 3.692 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -17.685 1.087 3.002 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -17.070 2.298 4.109 1.00 0.00 H new ATOM 0 HE ARG A 74 -15.853 3.144 1.884 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -19.130 1.845 2.220 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -19.776 2.840 0.911 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -16.679 4.394 0.208 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -18.387 4.283 -0.227 1.00 0.00 H new ATOM 1207 N THR A 75 -14.792 -0.820 -0.478 1.00 0.00 N ATOM 1208 CA THR A 75 -14.646 -0.949 -1.915 1.00 0.00 C ATOM 1209 C THR A 75 -13.866 -2.214 -2.252 1.00 0.00 C ATOM 1210 O THR A 75 -12.822 -2.486 -1.658 1.00 0.00 O ATOM 1211 CB THR A 75 -13.927 0.282 -2.495 1.00 0.00 C ATOM 1212 OG1 THR A 75 -14.484 1.473 -1.922 1.00 0.00 O ATOM 1213 CG2 THR A 75 -14.068 0.335 -4.009 1.00 0.00 C ATOM 0 H THR A 75 -13.943 -0.524 0.005 1.00 0.00 H new ATOM 0 HA THR A 75 -15.639 -1.015 -2.359 1.00 0.00 H new ATOM 0 HB THR A 75 -12.867 0.209 -2.251 1.00 0.00 H new ATOM 0 HG1 THR A 75 -14.026 2.258 -2.289 1.00 0.00 H new ATOM 0 HG21 THR A 75 -13.551 1.215 -4.392 1.00 0.00 H new ATOM 0 HG22 THR A 75 -13.631 -0.562 -4.447 1.00 0.00 H new ATOM 0 HG23 THR A 75 -15.124 0.391 -4.274 1.00 0.00 H new ATOM 1221 N GLN A 76 -14.384 -2.997 -3.188 1.00 0.00 N ATOM 1222 CA GLN A 76 -13.762 -4.259 -3.545 1.00 0.00 C ATOM 1223 C GLN A 76 -13.509 -4.332 -5.045 1.00 0.00 C ATOM 1224 O GLN A 76 -14.425 -4.144 -5.849 1.00 0.00 O ATOM 1225 CB GLN A 76 -14.649 -5.424 -3.107 1.00 0.00 C ATOM 1226 CG GLN A 76 -14.939 -5.440 -1.612 1.00 0.00 C ATOM 1227 CD GLN A 76 -15.902 -6.540 -1.215 1.00 0.00 C ATOM 1228 OE1 GLN A 76 -15.967 -7.586 -1.858 1.00 0.00 O ATOM 1229 NE2 GLN A 76 -16.662 -6.311 -0.155 1.00 0.00 N ATOM 0 H GLN A 76 -15.232 -2.779 -3.712 1.00 0.00 H new ATOM 0 HA GLN A 76 -12.803 -4.326 -3.030 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -15.592 -5.376 -3.651 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -14.167 -6.361 -3.385 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -14.004 -5.567 -1.066 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -15.353 -4.476 -1.316 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -16.578 -5.430 0.352 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -17.331 -7.016 0.154 1.00 0.00 H new ATOM 1238 N PHE A 77 -12.266 -4.597 -5.415 1.00 0.00 N ATOM 1239 CA PHE A 77 -11.895 -4.722 -6.817 1.00 0.00 C ATOM 1240 C PHE A 77 -11.296 -6.093 -7.084 1.00 0.00 C ATOM 1241 O PHE A 77 -10.537 -6.612 -6.272 1.00 0.00 O ATOM 1242 CB PHE A 77 -10.902 -3.630 -7.214 1.00 0.00 C ATOM 1243 CG PHE A 77 -11.497 -2.252 -7.252 1.00 0.00 C ATOM 1244 CD1 PHE A 77 -12.486 -1.934 -8.172 1.00 0.00 C ATOM 1245 CD2 PHE A 77 -11.060 -1.270 -6.380 1.00 0.00 C ATOM 1246 CE1 PHE A 77 -13.028 -0.666 -8.218 1.00 0.00 C ATOM 1247 CE2 PHE A 77 -11.598 0.001 -6.421 1.00 0.00 C ATOM 1248 CZ PHE A 77 -12.583 0.303 -7.342 1.00 0.00 C ATOM 0 H PHE A 77 -11.494 -4.730 -4.762 1.00 0.00 H new ATOM 0 HA PHE A 77 -12.796 -4.606 -7.420 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -10.069 -3.636 -6.511 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -10.492 -3.865 -8.196 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -12.836 -2.689 -8.861 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -10.289 -1.501 -5.659 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -13.799 -0.432 -8.938 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -11.249 0.758 -5.734 1.00 0.00 H new ATOM 0 HZ PHE A 77 -13.004 1.297 -7.376 1.00 0.00 H new ATOM 1258 N SER A 78 -11.625 -6.666 -8.230 1.00 0.00 N ATOM 1259 CA SER A 78 -11.212 -8.025 -8.557 1.00 0.00 C ATOM 1260 C SER A 78 -9.753 -8.073 -9.015 1.00 0.00 C ATOM 1261 O SER A 78 -9.224 -9.140 -9.320 1.00 0.00 O ATOM 1262 CB SER A 78 -12.136 -8.598 -9.636 1.00 0.00 C ATOM 1263 OG SER A 78 -13.497 -8.503 -9.240 1.00 0.00 O ATOM 0 H SER A 78 -12.180 -6.210 -8.954 1.00 0.00 H new ATOM 0 HA SER A 78 -11.289 -8.634 -7.656 1.00 0.00 H new ATOM 0 HB2 SER A 78 -11.987 -8.059 -10.572 1.00 0.00 H new ATOM 0 HB3 SER A 78 -11.880 -9.641 -9.824 1.00 0.00 H new ATOM 0 HG SER A 78 -13.635 -9.016 -8.416 1.00 0.00 H new ATOM 1269 N SER A 79 -9.107 -6.916 -9.065 1.00 0.00 N ATOM 1270 CA SER A 79 -7.698 -6.837 -9.423 1.00 0.00 C ATOM 1271 C SER A 79 -7.067 -5.595 -8.795 1.00 0.00 C ATOM 1272 O SER A 79 -7.770 -4.661 -8.402 1.00 0.00 O ATOM 1273 CB SER A 79 -7.540 -6.816 -10.942 1.00 0.00 C ATOM 1274 OG SER A 79 -8.080 -7.989 -11.533 1.00 0.00 O ATOM 0 H SER A 79 -9.539 -6.015 -8.861 1.00 0.00 H new ATOM 0 HA SER A 79 -7.183 -7.717 -9.038 1.00 0.00 H new ATOM 0 HB2 SER A 79 -8.040 -5.937 -11.350 1.00 0.00 H new ATOM 0 HB3 SER A 79 -6.484 -6.730 -11.199 1.00 0.00 H new ATOM 0 HG SER A 79 -7.966 -7.947 -12.505 1.00 0.00 H new ATOM 1280 N LEU A 80 -5.738 -5.592 -8.710 1.00 0.00 N ATOM 1281 CA LEU A 80 -5.010 -4.596 -7.926 1.00 0.00 C ATOM 1282 C LEU A 80 -4.830 -3.273 -8.664 1.00 0.00 C ATOM 1283 O LEU A 80 -4.572 -2.246 -8.037 1.00 0.00 O ATOM 1284 CB LEU A 80 -3.641 -5.145 -7.523 1.00 0.00 C ATOM 1285 CG LEU A 80 -3.669 -6.348 -6.579 1.00 0.00 C ATOM 1286 CD1 LEU A 80 -2.263 -6.877 -6.353 1.00 0.00 C ATOM 1287 CD2 LEU A 80 -4.317 -5.970 -5.254 1.00 0.00 C ATOM 0 H LEU A 80 -5.140 -6.273 -9.178 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.613 -4.393 -7.041 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.101 -5.426 -8.427 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.073 -4.345 -7.048 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.264 -7.136 -7.040 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.300 -7.733 -5.679 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.832 -7.184 -7.306 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.646 -6.094 -5.912 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.329 -6.838 -4.594 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.748 -5.166 -4.787 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.339 -5.635 -5.431 1.00 0.00 H new ATOM 1299 N GLN A 81 -4.958 -3.290 -9.986 1.00 0.00 N ATOM 1300 CA GLN A 81 -4.827 -2.065 -10.770 1.00 0.00 C ATOM 1301 C GLN A 81 -6.001 -1.138 -10.475 1.00 0.00 C ATOM 1302 O GLN A 81 -5.824 0.061 -10.251 1.00 0.00 O ATOM 1303 CB GLN A 81 -4.744 -2.378 -12.270 1.00 0.00 C ATOM 1304 CG GLN A 81 -4.735 -1.147 -13.166 1.00 0.00 C ATOM 1305 CD GLN A 81 -3.552 -0.231 -12.909 1.00 0.00 C ATOM 1306 OE1 GLN A 81 -2.470 -0.681 -12.535 1.00 0.00 O ATOM 1307 NE2 GLN A 81 -3.755 1.060 -13.107 1.00 0.00 N ATOM 0 H GLN A 81 -5.150 -4.129 -10.534 1.00 0.00 H new ATOM 0 HA GLN A 81 -3.901 -1.565 -10.486 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -3.840 -2.958 -12.459 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -5.590 -3.008 -12.545 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -4.721 -1.464 -14.209 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -5.659 -0.588 -13.015 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -4.668 1.391 -13.418 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -2.998 1.725 -12.949 1.00 0.00 H new ATOM 1316 N GLN A 82 -7.196 -1.712 -10.456 1.00 0.00 N ATOM 1317 CA GLN A 82 -8.400 -0.979 -10.085 1.00 0.00 C ATOM 1318 C GLN A 82 -8.284 -0.423 -8.669 1.00 0.00 C ATOM 1319 O GLN A 82 -8.814 0.648 -8.368 1.00 0.00 O ATOM 1320 CB GLN A 82 -9.630 -1.882 -10.183 1.00 0.00 C ATOM 1321 CG GLN A 82 -10.100 -2.148 -11.605 1.00 0.00 C ATOM 1322 CD GLN A 82 -10.913 -1.004 -12.197 1.00 0.00 C ATOM 1323 OE1 GLN A 82 -11.791 -1.228 -13.028 1.00 0.00 O ATOM 1324 NE2 GLN A 82 -10.632 0.222 -11.777 1.00 0.00 N ATOM 0 H GLN A 82 -7.359 -2.690 -10.695 1.00 0.00 H new ATOM 0 HA GLN A 82 -8.511 -0.147 -10.780 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -9.406 -2.835 -9.703 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -10.446 -1.426 -9.622 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -9.232 -2.333 -12.238 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -10.702 -3.056 -11.617 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -9.896 0.368 -11.086 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -11.152 1.019 -12.145 1.00 0.00 H new ATOM 1333 N LEU A 83 -7.582 -1.160 -7.815 1.00 0.00 N ATOM 1334 CA LEU A 83 -7.379 -0.770 -6.423 1.00 0.00 C ATOM 1335 C LEU A 83 -6.666 0.582 -6.346 1.00 0.00 C ATOM 1336 O LEU A 83 -7.232 1.567 -5.869 1.00 0.00 O ATOM 1337 CB LEU A 83 -6.572 -1.870 -5.702 1.00 0.00 C ATOM 1338 CG LEU A 83 -6.397 -1.737 -4.179 1.00 0.00 C ATOM 1339 CD1 LEU A 83 -5.370 -0.670 -3.827 1.00 0.00 C ATOM 1340 CD2 LEU A 83 -7.732 -1.442 -3.512 1.00 0.00 C ATOM 0 H LEU A 83 -7.138 -2.043 -8.067 1.00 0.00 H new ATOM 0 HA LEU A 83 -8.344 -0.660 -5.928 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -7.053 -2.827 -5.903 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -5.580 -1.910 -6.153 1.00 0.00 H new ATOM 0 HG LEU A 83 -6.024 -2.689 -3.802 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -5.272 -0.603 -2.744 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -4.407 -0.934 -4.263 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -5.695 0.292 -4.222 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -7.589 -1.351 -2.435 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -8.136 -0.509 -3.904 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -8.429 -2.254 -3.718 1.00 0.00 H new ATOM 1352 N VAL A 84 -5.431 0.630 -6.837 1.00 0.00 N ATOM 1353 CA VAL A 84 -4.619 1.839 -6.751 1.00 0.00 C ATOM 1354 C VAL A 84 -5.221 2.993 -7.548 1.00 0.00 C ATOM 1355 O VAL A 84 -5.213 4.137 -7.094 1.00 0.00 O ATOM 1356 CB VAL A 84 -3.169 1.597 -7.223 1.00 0.00 C ATOM 1357 CG1 VAL A 84 -2.302 1.138 -6.062 1.00 0.00 C ATOM 1358 CG2 VAL A 84 -3.119 0.574 -8.339 1.00 0.00 C ATOM 0 H VAL A 84 -4.971 -0.155 -7.299 1.00 0.00 H new ATOM 0 HA VAL A 84 -4.605 2.112 -5.696 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.783 2.541 -7.606 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -1.283 0.972 -6.412 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -2.299 1.903 -5.286 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.701 0.209 -5.655 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.085 0.425 -8.650 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.531 -0.371 -7.985 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -3.705 0.931 -9.186 1.00 0.00 H new ATOM 1368 N ALA A 85 -5.743 2.685 -8.725 1.00 0.00 N ATOM 1369 CA ALA A 85 -6.361 3.689 -9.591 1.00 0.00 C ATOM 1370 C ALA A 85 -7.497 4.437 -8.890 1.00 0.00 C ATOM 1371 O ALA A 85 -7.718 5.621 -9.142 1.00 0.00 O ATOM 1372 CB ALA A 85 -6.868 3.041 -10.869 1.00 0.00 C ATOM 0 H ALA A 85 -5.753 1.740 -9.109 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.593 4.422 -9.837 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.326 3.799 -11.505 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -6.035 2.579 -11.398 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.608 2.280 -10.622 1.00 0.00 H new ATOM 1378 N TYR A 86 -8.210 3.755 -8.004 1.00 0.00 N ATOM 1379 CA TYR A 86 -9.325 4.375 -7.304 1.00 0.00 C ATOM 1380 C TYR A 86 -8.868 5.021 -6.001 1.00 0.00 C ATOM 1381 O TYR A 86 -9.241 6.157 -5.696 1.00 0.00 O ATOM 1382 CB TYR A 86 -10.425 3.350 -7.026 1.00 0.00 C ATOM 1383 CG TYR A 86 -11.611 3.921 -6.283 1.00 0.00 C ATOM 1384 CD1 TYR A 86 -12.451 4.844 -6.890 1.00 0.00 C ATOM 1385 CD2 TYR A 86 -11.887 3.542 -4.975 1.00 0.00 C ATOM 1386 CE1 TYR A 86 -13.535 5.374 -6.216 1.00 0.00 C ATOM 1387 CE2 TYR A 86 -12.969 4.065 -4.295 1.00 0.00 C ATOM 1388 CZ TYR A 86 -13.788 4.983 -4.919 1.00 0.00 C ATOM 1389 OH TYR A 86 -14.870 5.505 -4.246 1.00 0.00 O ATOM 0 H TYR A 86 -8.038 2.781 -7.755 1.00 0.00 H new ATOM 0 HA TYR A 86 -9.727 5.156 -7.949 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -10.767 2.931 -7.972 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -10.006 2.528 -6.447 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -12.254 5.153 -7.906 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -11.245 2.827 -4.482 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -14.180 6.090 -6.703 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -13.173 3.757 -3.280 1.00 0.00 H new ATOM 0 HH TYR A 86 -14.908 5.126 -3.343 1.00 0.00 H new ATOM 1399 N TYR A 87 -8.039 4.308 -5.246 1.00 0.00 N ATOM 1400 CA TYR A 87 -7.618 4.772 -3.925 1.00 0.00 C ATOM 1401 C TYR A 87 -6.597 5.904 -4.012 1.00 0.00 C ATOM 1402 O TYR A 87 -6.232 6.502 -2.999 1.00 0.00 O ATOM 1403 CB TYR A 87 -7.074 3.608 -3.095 1.00 0.00 C ATOM 1404 CG TYR A 87 -8.161 2.731 -2.510 1.00 0.00 C ATOM 1405 CD1 TYR A 87 -9.007 1.984 -3.320 1.00 0.00 C ATOM 1406 CD2 TYR A 87 -8.347 2.666 -1.139 1.00 0.00 C ATOM 1407 CE1 TYR A 87 -10.004 1.195 -2.776 1.00 0.00 C ATOM 1408 CE2 TYR A 87 -9.341 1.883 -0.587 1.00 0.00 C ATOM 1409 CZ TYR A 87 -10.167 1.151 -1.408 1.00 0.00 C ATOM 1410 OH TYR A 87 -11.159 0.375 -0.855 1.00 0.00 O ATOM 0 H TYR A 87 -7.645 3.409 -5.523 1.00 0.00 H new ATOM 0 HA TYR A 87 -8.499 5.175 -3.425 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -6.422 2.998 -3.720 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -6.461 4.003 -2.285 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -8.884 2.020 -4.392 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -7.702 3.239 -0.489 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -10.651 0.617 -3.419 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -9.470 1.845 0.485 1.00 0.00 H new ATOM 0 HH TYR A 87 -11.764 0.941 -0.332 1.00 0.00 H new ATOM 1420 N SER A 88 -6.135 6.199 -5.215 1.00 0.00 N ATOM 1421 CA SER A 88 -5.293 7.364 -5.432 1.00 0.00 C ATOM 1422 C SER A 88 -6.158 8.619 -5.497 1.00 0.00 C ATOM 1423 O SER A 88 -5.685 9.730 -5.267 1.00 0.00 O ATOM 1424 CB SER A 88 -4.484 7.204 -6.719 1.00 0.00 C ATOM 1425 OG SER A 88 -5.324 6.851 -7.805 1.00 0.00 O ATOM 0 H SER A 88 -6.327 5.651 -6.053 1.00 0.00 H new ATOM 0 HA SER A 88 -4.595 7.458 -4.600 1.00 0.00 H new ATOM 0 HB2 SER A 88 -3.964 8.135 -6.944 1.00 0.00 H new ATOM 0 HB3 SER A 88 -3.721 6.438 -6.581 1.00 0.00 H new ATOM 0 HG SER A 88 -5.442 5.878 -7.825 1.00 0.00 H new ATOM 1431 N LYS A 89 -7.436 8.422 -5.793 1.00 0.00 N ATOM 1432 CA LYS A 89 -8.375 9.524 -5.905 1.00 0.00 C ATOM 1433 C LYS A 89 -9.211 9.629 -4.636 1.00 0.00 C ATOM 1434 O LYS A 89 -9.376 10.708 -4.071 1.00 0.00 O ATOM 1435 CB LYS A 89 -9.283 9.312 -7.116 1.00 0.00 C ATOM 1436 CG LYS A 89 -10.045 10.555 -7.550 1.00 0.00 C ATOM 1437 CD LYS A 89 -9.100 11.665 -7.988 1.00 0.00 C ATOM 1438 CE LYS A 89 -8.139 11.202 -9.078 1.00 0.00 C ATOM 1439 NZ LYS A 89 -8.847 10.729 -10.297 1.00 0.00 N ATOM 0 H LYS A 89 -7.845 7.503 -5.960 1.00 0.00 H new ATOM 0 HA LYS A 89 -7.819 10.452 -6.037 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -8.679 8.960 -7.952 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -9.999 8.523 -6.886 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -10.717 10.303 -8.371 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -10.666 10.908 -6.727 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -9.681 12.512 -8.353 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -8.530 12.016 -7.128 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -7.473 12.023 -9.344 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -7.514 10.398 -8.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -8.150 10.457 -11.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -9.437 9.906 -10.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -9.450 11.492 -10.666 1.00 0.00 H new ATOM 1453 N HIS A 90 -9.737 8.497 -4.195 1.00 0.00 N ATOM 1454 CA HIS A 90 -10.524 8.441 -2.973 1.00 0.00 C ATOM 1455 C HIS A 90 -9.963 7.365 -2.059 1.00 0.00 C ATOM 1456 O HIS A 90 -9.951 6.187 -2.413 1.00 0.00 O ATOM 1457 CB HIS A 90 -11.999 8.155 -3.278 1.00 0.00 C ATOM 1458 CG HIS A 90 -12.637 9.160 -4.187 1.00 0.00 C ATOM 1459 ND1 HIS A 90 -13.101 10.386 -3.758 1.00 0.00 N ATOM 1460 CD2 HIS A 90 -12.869 9.119 -5.519 1.00 0.00 C ATOM 1461 CE1 HIS A 90 -13.590 11.054 -4.787 1.00 0.00 C ATOM 1462 NE2 HIS A 90 -13.460 10.306 -5.868 1.00 0.00 N ATOM 0 H HIS A 90 -9.632 7.600 -4.668 1.00 0.00 H new ATOM 0 HA HIS A 90 -10.465 9.410 -2.478 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -12.081 7.167 -3.730 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -12.554 8.124 -2.341 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -12.632 8.302 -6.185 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -14.022 12.043 -4.751 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -13.752 10.569 -6.809 1.00 0.00 H new ATOM 1471 N ALA A 91 -9.501 7.782 -0.889 1.00 0.00 N ATOM 1472 CA ALA A 91 -8.828 6.884 0.043 1.00 0.00 C ATOM 1473 C ALA A 91 -9.778 5.837 0.618 1.00 0.00 C ATOM 1474 O ALA A 91 -9.352 4.736 0.962 1.00 0.00 O ATOM 1475 CB ALA A 91 -8.172 7.687 1.154 1.00 0.00 C ATOM 0 H ALA A 91 -9.580 8.744 -0.559 1.00 0.00 H new ATOM 0 HA ALA A 91 -8.059 6.344 -0.510 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -7.672 7.010 1.846 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -7.441 8.372 0.725 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -8.932 8.256 1.689 1.00 0.00 H new ATOM 1481 N ASP A 92 -11.059 6.202 0.731 1.00 0.00 N ATOM 1482 CA ASP A 92 -12.124 5.272 1.135 1.00 0.00 C ATOM 1483 C ASP A 92 -11.945 4.765 2.573 1.00 0.00 C ATOM 1484 O ASP A 92 -12.597 5.256 3.496 1.00 0.00 O ATOM 1485 CB ASP A 92 -12.203 4.101 0.148 1.00 0.00 C ATOM 1486 CG ASP A 92 -13.310 3.119 0.473 1.00 0.00 C ATOM 1487 OD1 ASP A 92 -14.463 3.560 0.682 1.00 0.00 O ATOM 1488 OD2 ASP A 92 -13.031 1.899 0.498 1.00 0.00 O ATOM 0 H ASP A 92 -11.389 7.149 0.546 1.00 0.00 H new ATOM 0 HA ASP A 92 -13.065 5.822 1.113 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -12.357 4.492 -0.858 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -11.249 3.574 0.143 1.00 0.00 H new ATOM 1493 N GLY A 93 -11.070 3.782 2.759 1.00 0.00 N ATOM 1494 CA GLY A 93 -10.788 3.275 4.090 1.00 0.00 C ATOM 1495 C GLY A 93 -9.594 3.969 4.705 1.00 0.00 C ATOM 1496 O GLY A 93 -9.531 4.185 5.916 1.00 0.00 O ATOM 0 H GLY A 93 -10.550 3.326 2.009 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -11.661 3.417 4.727 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -10.601 2.202 4.040 1.00 0.00 H new ATOM 1500 N LEU A 94 -8.633 4.301 3.857 1.00 0.00 N ATOM 1501 CA LEU A 94 -7.478 5.075 4.254 1.00 0.00 C ATOM 1502 C LEU A 94 -7.877 6.526 4.505 1.00 0.00 C ATOM 1503 O LEU A 94 -8.910 6.987 4.024 1.00 0.00 O ATOM 1504 CB LEU A 94 -6.411 5.031 3.153 1.00 0.00 C ATOM 1505 CG LEU A 94 -5.922 3.635 2.742 1.00 0.00 C ATOM 1506 CD1 LEU A 94 -6.925 2.931 1.846 1.00 0.00 C ATOM 1507 CD2 LEU A 94 -4.570 3.725 2.050 1.00 0.00 C ATOM 0 H LEU A 94 -8.637 4.038 2.872 1.00 0.00 H new ATOM 0 HA LEU A 94 -7.074 4.646 5.171 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.809 5.529 2.269 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -5.551 5.612 3.486 1.00 0.00 H new ATOM 0 HG LEU A 94 -5.816 3.044 3.652 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.543 1.946 1.576 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -7.871 2.821 2.375 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.081 3.520 0.942 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.239 2.726 1.766 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.658 4.345 1.158 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.842 4.168 2.730 1.00 0.00 H new ATOM 1519 N CYS A 95 -7.065 7.240 5.262 1.00 0.00 N ATOM 1520 CA CYS A 95 -7.268 8.667 5.438 1.00 0.00 C ATOM 1521 C CYS A 95 -6.252 9.418 4.587 1.00 0.00 C ATOM 1522 O CYS A 95 -6.190 10.648 4.586 1.00 0.00 O ATOM 1523 CB CYS A 95 -7.135 9.053 6.913 1.00 0.00 C ATOM 1524 SG CYS A 95 -7.703 10.728 7.301 1.00 0.00 S ATOM 0 H CYS A 95 -6.263 6.858 5.763 1.00 0.00 H new ATOM 0 HA CYS A 95 -8.275 8.935 5.118 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -7.701 8.342 7.515 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -6.090 8.959 7.208 1.00 0.00 H new ATOM 0 HG CYS A 95 -7.347 11.538 6.349 1.00 0.00 H new ATOM 1530 N HIS A 96 -5.458 8.648 3.851 1.00 0.00 N ATOM 1531 CA HIS A 96 -4.437 9.199 2.978 1.00 0.00 C ATOM 1532 C HIS A 96 -4.659 8.693 1.564 1.00 0.00 C ATOM 1533 O HIS A 96 -4.516 7.497 1.304 1.00 0.00 O ATOM 1534 CB HIS A 96 -3.032 8.785 3.438 1.00 0.00 C ATOM 1535 CG HIS A 96 -2.762 8.983 4.899 1.00 0.00 C ATOM 1536 ND1 HIS A 96 -2.567 10.231 5.431 1.00 0.00 N ATOM 1537 CD2 HIS A 96 -2.652 8.059 5.884 1.00 0.00 C ATOM 1538 CE1 HIS A 96 -2.346 10.042 6.721 1.00 0.00 C ATOM 1539 NE2 HIS A 96 -2.384 8.744 7.043 1.00 0.00 N ATOM 0 H HIS A 96 -5.506 7.629 3.845 1.00 0.00 H new ATOM 0 HA HIS A 96 -4.510 10.286 3.012 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -2.881 7.733 3.195 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -2.297 9.353 2.867 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -2.755 6.989 5.778 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -2.158 10.837 7.427 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -2.242 8.342 7.969 1.00 0.00 H new ATOM 1547 N ARG A 97 -5.036 9.587 0.662 1.00 0.00 N ATOM 1548 CA ARG A 97 -5.164 9.229 -0.745 1.00 0.00 C ATOM 1549 C ARG A 97 -3.787 8.947 -1.324 1.00 0.00 C ATOM 1550 O ARG A 97 -2.833 9.675 -1.040 1.00 0.00 O ATOM 1551 CB ARG A 97 -5.855 10.346 -1.536 1.00 0.00 C ATOM 1552 CG ARG A 97 -5.267 11.729 -1.297 1.00 0.00 C ATOM 1553 CD ARG A 97 -5.855 12.760 -2.246 1.00 0.00 C ATOM 1554 NE ARG A 97 -5.471 14.122 -1.876 1.00 0.00 N ATOM 1555 CZ ARG A 97 -4.920 15.000 -2.712 1.00 0.00 C ATOM 1556 NH1 ARG A 97 -4.648 14.656 -3.968 1.00 0.00 N ATOM 1557 NH2 ARG A 97 -4.638 16.228 -2.290 1.00 0.00 N ATOM 0 H ARG A 97 -5.258 10.559 0.876 1.00 0.00 H new ATOM 0 HA ARG A 97 -5.781 8.334 -0.823 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -5.794 10.115 -2.600 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -6.913 10.362 -1.274 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -5.456 12.032 -0.267 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -4.185 11.692 -1.425 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -5.520 12.551 -3.262 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -6.942 12.676 -2.245 1.00 0.00 H new ATOM 0 HE ARG A 97 -5.636 14.419 -0.914 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -4.862 13.714 -4.297 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -4.226 15.334 -4.602 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -4.844 16.496 -1.328 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -4.216 16.902 -2.928 1.00 0.00 H new ATOM 1571 N LEU A 98 -3.684 7.881 -2.108 1.00 0.00 N ATOM 1572 CA LEU A 98 -2.414 7.488 -2.709 1.00 0.00 C ATOM 1573 C LEU A 98 -1.893 8.608 -3.607 1.00 0.00 C ATOM 1574 O LEU A 98 -2.318 8.748 -4.753 1.00 0.00 O ATOM 1575 CB LEU A 98 -2.581 6.190 -3.512 1.00 0.00 C ATOM 1576 CG LEU A 98 -3.191 5.011 -2.741 1.00 0.00 C ATOM 1577 CD1 LEU A 98 -3.273 3.777 -3.625 1.00 0.00 C ATOM 1578 CD2 LEU A 98 -2.382 4.704 -1.491 1.00 0.00 C ATOM 0 H LEU A 98 -4.467 7.271 -2.343 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.689 7.309 -1.915 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.208 6.398 -4.379 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -1.604 5.888 -3.890 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.200 5.294 -2.440 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.708 2.953 -3.060 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -3.897 3.992 -4.492 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.272 3.501 -3.958 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -2.834 3.865 -0.962 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -1.361 4.448 -1.772 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -2.370 5.579 -0.841 1.00 0.00 H new ATOM 1590 N THR A 99 -0.990 9.416 -3.070 1.00 0.00 N ATOM 1591 CA THR A 99 -0.531 10.613 -3.755 1.00 0.00 C ATOM 1592 C THR A 99 0.677 10.317 -4.638 1.00 0.00 C ATOM 1593 O THR A 99 0.732 10.727 -5.800 1.00 0.00 O ATOM 1594 CB THR A 99 -0.169 11.714 -2.738 1.00 0.00 C ATOM 1595 OG1 THR A 99 -1.217 11.837 -1.760 1.00 0.00 O ATOM 1596 CG2 THR A 99 0.033 13.052 -3.433 1.00 0.00 C ATOM 0 H THR A 99 -0.560 9.262 -2.158 1.00 0.00 H new ATOM 0 HA THR A 99 -1.347 10.961 -4.388 1.00 0.00 H new ATOM 0 HB THR A 99 0.763 11.432 -2.248 1.00 0.00 H new ATOM 0 HG1 THR A 99 -1.676 10.977 -1.663 1.00 0.00 H new ATOM 0 HG21 THR A 99 0.287 13.811 -2.694 1.00 0.00 H new ATOM 0 HG22 THR A 99 0.842 12.967 -4.159 1.00 0.00 H new ATOM 0 HG23 THR A 99 -0.885 13.338 -3.946 1.00 0.00 H new ATOM 1604 N ASN A 100 1.641 9.603 -4.083 1.00 0.00 N ATOM 1605 CA ASN A 100 2.852 9.256 -4.805 1.00 0.00 C ATOM 1606 C ASN A 100 3.347 7.894 -4.350 1.00 0.00 C ATOM 1607 O ASN A 100 3.072 7.468 -3.231 1.00 0.00 O ATOM 1608 CB ASN A 100 3.929 10.316 -4.572 1.00 0.00 C ATOM 1609 CG ASN A 100 4.348 10.415 -3.121 1.00 0.00 C ATOM 1610 OD1 ASN A 100 3.733 11.132 -2.335 1.00 0.00 O ATOM 1611 ND2 ASN A 100 5.407 9.711 -2.761 1.00 0.00 N ATOM 0 H ASN A 100 1.607 9.250 -3.127 1.00 0.00 H new ATOM 0 HA ASN A 100 2.631 9.216 -5.872 1.00 0.00 H new ATOM 0 HB2 ASN A 100 4.801 10.082 -5.182 1.00 0.00 H new ATOM 0 HB3 ASN A 100 3.557 11.285 -4.905 1.00 0.00 H new ATOM 0 HD21 ASN A 100 5.743 9.751 -1.799 1.00 0.00 H new ATOM 0 HD22 ASN A 100 5.889 9.128 -3.446 1.00 0.00 H new ATOM 1618 N VAL A 101 4.072 7.214 -5.213 1.00 0.00 N ATOM 1619 CA VAL A 101 4.543 5.878 -4.904 1.00 0.00 C ATOM 1620 C VAL A 101 5.924 5.956 -4.262 1.00 0.00 C ATOM 1621 O VAL A 101 6.646 6.938 -4.457 1.00 0.00 O ATOM 1622 CB VAL A 101 4.601 4.988 -6.163 1.00 0.00 C ATOM 1623 CG1 VAL A 101 4.482 3.525 -5.772 1.00 0.00 C ATOM 1624 CG2 VAL A 101 3.512 5.369 -7.156 1.00 0.00 C ATOM 0 H VAL A 101 4.348 7.562 -6.131 1.00 0.00 H new ATOM 0 HA VAL A 101 3.836 5.425 -4.209 1.00 0.00 H new ATOM 0 HB VAL A 101 5.563 5.145 -6.650 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.524 2.905 -6.667 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.303 3.258 -5.107 1.00 0.00 H new ATOM 0 HG13 VAL A 101 3.533 3.361 -5.261 1.00 0.00 H new ATOM 0 HG21 VAL A 101 3.578 4.725 -8.033 1.00 0.00 H new ATOM 0 HG22 VAL A 101 2.535 5.247 -6.689 1.00 0.00 H new ATOM 0 HG23 VAL A 101 3.643 6.408 -7.458 1.00 0.00 H new ATOM 1634 N CYS A 102 6.268 4.934 -3.483 1.00 0.00 N ATOM 1635 CA CYS A 102 7.536 4.892 -2.763 1.00 0.00 C ATOM 1636 C CYS A 102 8.726 5.093 -3.696 1.00 0.00 C ATOM 1637 O CYS A 102 8.927 4.324 -4.642 1.00 0.00 O ATOM 1638 CB CYS A 102 7.677 3.561 -2.022 1.00 0.00 C ATOM 1639 SG CYS A 102 9.238 3.374 -1.125 1.00 0.00 S ATOM 0 H CYS A 102 5.678 4.115 -3.334 1.00 0.00 H new ATOM 0 HA CYS A 102 7.532 5.712 -2.045 1.00 0.00 H new ATOM 0 HB2 CYS A 102 6.852 3.461 -1.317 1.00 0.00 H new ATOM 0 HB3 CYS A 102 7.584 2.746 -2.740 1.00 0.00 H new ATOM 0 HG CYS A 102 10.191 3.961 -1.786 1.00 0.00 H new ATOM 1645 N PRO A 103 9.523 6.144 -3.447 1.00 0.00 N ATOM 1646 CA PRO A 103 10.750 6.403 -4.196 1.00 0.00 C ATOM 1647 C PRO A 103 11.822 5.369 -3.880 1.00 0.00 C ATOM 1648 O PRO A 103 11.990 4.962 -2.727 1.00 0.00 O ATOM 1649 CB PRO A 103 11.194 7.795 -3.723 1.00 0.00 C ATOM 1650 CG PRO A 103 10.033 8.353 -2.967 1.00 0.00 C ATOM 1651 CD PRO A 103 9.288 7.170 -2.422 1.00 0.00 C ATOM 0 HA PRO A 103 10.590 6.351 -5.273 1.00 0.00 H new ATOM 0 HB2 PRO A 103 12.079 7.730 -3.090 1.00 0.00 H new ATOM 0 HB3 PRO A 103 11.453 8.432 -4.569 1.00 0.00 H new ATOM 0 HG2 PRO A 103 10.369 9.007 -2.162 1.00 0.00 H new ATOM 0 HG3 PRO A 103 9.394 8.950 -3.618 1.00 0.00 H new ATOM 0 HD2 PRO A 103 9.669 6.864 -1.448 1.00 0.00 H new ATOM 0 HD3 PRO A 103 8.226 7.382 -2.297 1.00 0.00 H new ATOM 1659 N THR A 104 12.537 4.940 -4.904 1.00 0.00 N ATOM 1660 CA THR A 104 13.559 3.924 -4.750 1.00 0.00 C ATOM 1661 C THR A 104 14.958 4.520 -4.843 1.00 0.00 C ATOM 1662 O THR A 104 15.254 5.294 -5.755 1.00 0.00 O ATOM 1663 CB THR A 104 13.397 2.826 -5.817 1.00 0.00 C ATOM 1664 OG1 THR A 104 13.008 3.415 -7.068 1.00 0.00 O ATOM 1665 CG2 THR A 104 12.361 1.800 -5.385 1.00 0.00 C ATOM 0 H THR A 104 12.426 5.283 -5.858 1.00 0.00 H new ATOM 0 HA THR A 104 13.435 3.487 -3.759 1.00 0.00 H new ATOM 0 HB THR A 104 14.354 2.319 -5.937 1.00 0.00 H new ATOM 0 HG1 THR A 104 12.908 2.712 -7.743 1.00 0.00 H new ATOM 0 HG21 THR A 104 12.264 1.034 -6.155 1.00 0.00 H new ATOM 0 HG22 THR A 104 12.676 1.337 -4.450 1.00 0.00 H new ATOM 0 HG23 THR A 104 11.400 2.293 -5.240 1.00 0.00 H new ATOM 1673 N SER A 105 15.809 4.169 -3.888 1.00 0.00 N ATOM 1674 CA SER A 105 17.193 4.606 -3.904 1.00 0.00 C ATOM 1675 C SER A 105 17.957 3.836 -4.979 1.00 0.00 C ATOM 1676 O SER A 105 18.306 2.670 -4.797 1.00 0.00 O ATOM 1677 CB SER A 105 17.828 4.391 -2.524 1.00 0.00 C ATOM 1678 OG SER A 105 19.122 4.964 -2.453 1.00 0.00 O ATOM 0 H SER A 105 15.561 3.581 -3.092 1.00 0.00 H new ATOM 0 HA SER A 105 17.237 5.670 -4.136 1.00 0.00 H new ATOM 0 HB2 SER A 105 17.191 4.831 -1.757 1.00 0.00 H new ATOM 0 HB3 SER A 105 17.890 3.323 -2.313 1.00 0.00 H new ATOM 0 HG SER A 105 19.499 4.811 -1.561 1.00 0.00 H new ATOM 1684 N LYS A 106 18.191 4.488 -6.109 1.00 0.00 N ATOM 1685 CA LYS A 106 18.828 3.845 -7.244 1.00 0.00 C ATOM 1686 C LYS A 106 20.225 4.416 -7.474 1.00 0.00 C ATOM 1687 O LYS A 106 20.358 5.428 -8.192 1.00 0.00 O ATOM 1688 CB LYS A 106 17.946 3.982 -8.496 1.00 0.00 C ATOM 1689 CG LYS A 106 17.462 5.403 -8.773 1.00 0.00 C ATOM 1690 CD LYS A 106 16.484 5.439 -9.937 1.00 0.00 C ATOM 1691 CE LYS A 106 15.179 4.739 -9.589 1.00 0.00 C ATOM 1692 NZ LYS A 106 14.399 5.483 -8.561 1.00 0.00 N ATOM 1693 OXT LYS A 106 21.186 3.856 -6.909 1.00 0.00 O ATOM 0 H LYS A 106 17.947 5.466 -6.262 1.00 0.00 H new ATOM 0 HA LYS A 106 18.942 2.782 -7.029 1.00 0.00 H new ATOM 0 HB2 LYS A 106 18.506 3.627 -9.361 1.00 0.00 H new ATOM 0 HB3 LYS A 106 17.079 3.330 -8.388 1.00 0.00 H new ATOM 0 HG2 LYS A 106 16.983 5.806 -7.881 1.00 0.00 H new ATOM 0 HG3 LYS A 106 18.316 6.043 -8.993 1.00 0.00 H new ATOM 0 HD2 LYS A 106 16.281 6.474 -10.212 1.00 0.00 H new ATOM 0 HD3 LYS A 106 16.934 4.961 -10.807 1.00 0.00 H new ATOM 0 HE2 LYS A 106 14.576 4.628 -10.490 1.00 0.00 H new ATOM 0 HE3 LYS A 106 15.393 3.735 -9.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 13.976 4.809 -7.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 15.030 6.131 -8.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 13.646 6.029 -9.025 1.00 0.00 H new TER 1707 LYS A 106