USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 606 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 56 ASN : amide:sc= -0.831 K(o=-7.4,f=-8.9!) USER MOD Set 1.2: A 58 ASN : amide:sc= -6.56! K(o=-7.4!,f=-9.9) USER MOD Set 2.1: A 44 LYS NZ :NH3+ -128:sc= -3.95! (180deg=-6.67!) USER MOD Set 2.2: A 57 ASN : amide:sc= 0 K(o=-3.9,f=-7.4) USER MOD Set 3.1: A 28 MET CE :methyl -175:sc= 0 (180deg=0) USER MOD Set 3.2: A 70 HIS : no HD1:sc= -0.487 X(o=-0.49,f=-0.18) USER MOD Single : A 6 LYS NZ :NH3+ 168:sc=-0.00799 (180deg=-0.162) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.0693 K(o=-0.069,f=-2!) USER MOD Single : A 11 ASN :FLIP amide:sc= -2.54 F(o=-7.8!,f=-2.5) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -7:sc= 0.991 USER MOD Single : A 17 CYS SG : rot 100:sc= -6.79! USER MOD Single : A 22 GLN : amide:sc= -0.0697 K(o=-0.07,f=-1.3!) USER MOD Single : A 23 SER OG : rot 51:sc= 0.708 USER MOD Single : A 35 CYS SG : rot -13:sc= -0.0208! USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.394 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 CYS SG : rot 180:sc= -0.44 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.209 X(o=-0.21,f=-0.016) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.00322 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN :FLIP amide:sc= -0.0609 F(o=-0.61,f=-0.061) USER MOD Single : A 69 THR OG1 : rot -61:sc= 0.0549 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= -0.0859 USER MOD ----------------------------------------------------------------- ATOM 20 N GLU A 2 12.901 -1.896 -3.071 1.00 0.00 N ATOM 21 CA GLU A 2 11.605 -1.852 -3.805 1.00 0.00 C ATOM 22 C GLU A 2 10.756 -3.060 -3.413 1.00 0.00 C ATOM 23 O GLU A 2 11.212 -4.187 -3.440 1.00 0.00 O ATOM 24 CB GLU A 2 11.872 -1.883 -5.313 1.00 0.00 C ATOM 25 CG GLU A 2 12.804 -0.730 -5.692 1.00 0.00 C ATOM 26 CD GLU A 2 13.052 -0.750 -7.201 1.00 0.00 C ATOM 27 OE1 GLU A 2 12.083 -0.718 -7.941 1.00 0.00 O ATOM 28 OE2 GLU A 2 14.207 -0.798 -7.591 1.00 0.00 O ATOM 0 HA GLU A 2 11.073 -0.936 -3.549 1.00 0.00 H new ATOM 0 HB2 GLU A 2 12.322 -2.835 -5.594 1.00 0.00 H new ATOM 0 HB3 GLU A 2 10.933 -1.800 -5.861 1.00 0.00 H new ATOM 0 HG2 GLU A 2 12.361 0.222 -5.398 1.00 0.00 H new ATOM 0 HG3 GLU A 2 13.749 -0.821 -5.156 1.00 0.00 H new ATOM 35 N TRP A 3 9.520 -2.838 -3.046 1.00 0.00 N ATOM 36 CA TRP A 3 8.632 -3.974 -2.650 1.00 0.00 C ATOM 37 C TRP A 3 7.766 -4.382 -3.843 1.00 0.00 C ATOM 38 O TRP A 3 7.809 -3.769 -4.891 1.00 0.00 O ATOM 39 CB TRP A 3 7.729 -3.531 -1.496 1.00 0.00 C ATOM 40 CG TRP A 3 8.572 -3.020 -0.372 1.00 0.00 C ATOM 41 CD1 TRP A 3 9.302 -1.881 -0.405 1.00 0.00 C ATOM 42 CD2 TRP A 3 8.783 -3.604 0.945 1.00 0.00 C ATOM 43 NE1 TRP A 3 9.949 -1.731 0.808 1.00 0.00 N ATOM 44 CE2 TRP A 3 9.661 -2.768 1.674 1.00 0.00 C ATOM 45 CE3 TRP A 3 8.303 -4.768 1.573 1.00 0.00 C ATOM 46 CZ2 TRP A 3 10.048 -3.075 2.979 1.00 0.00 C ATOM 47 CZ3 TRP A 3 8.692 -5.080 2.886 1.00 0.00 C ATOM 48 CH2 TRP A 3 9.563 -4.235 3.587 1.00 0.00 C ATOM 0 H TRP A 3 9.086 -1.916 -3.003 1.00 0.00 H new ATOM 0 HA TRP A 3 9.241 -4.821 -2.335 1.00 0.00 H new ATOM 0 HB2 TRP A 3 7.044 -2.753 -1.834 1.00 0.00 H new ATOM 0 HB3 TRP A 3 7.119 -4.368 -1.156 1.00 0.00 H new ATOM 0 HD1 TRP A 3 9.368 -1.201 -1.241 1.00 0.00 H new ATOM 0 HE1 TRP A 3 10.564 -0.950 1.036 1.00 0.00 H new ATOM 0 HE3 TRP A 3 7.631 -5.426 1.042 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 10.718 -2.420 3.515 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 8.318 -5.976 3.358 1.00 0.00 H new ATOM 0 HH2 TRP A 3 9.859 -4.481 4.596 1.00 0.00 H new ATOM 59 N TRP A 4 6.977 -5.416 -3.688 1.00 0.00 N ATOM 60 CA TRP A 4 6.098 -5.878 -4.807 1.00 0.00 C ATOM 61 C TRP A 4 4.720 -6.236 -4.248 1.00 0.00 C ATOM 62 O TRP A 4 4.594 -7.064 -3.368 1.00 0.00 O ATOM 63 CB TRP A 4 6.717 -7.114 -5.464 1.00 0.00 C ATOM 64 CG TRP A 4 8.017 -6.741 -6.101 1.00 0.00 C ATOM 65 CD1 TRP A 4 9.184 -6.568 -5.439 1.00 0.00 C ATOM 66 CD2 TRP A 4 8.303 -6.494 -7.508 1.00 0.00 C ATOM 67 NE1 TRP A 4 10.168 -6.230 -6.350 1.00 0.00 N ATOM 68 CE2 TRP A 4 9.674 -6.172 -7.639 1.00 0.00 C ATOM 69 CE3 TRP A 4 7.513 -6.517 -8.672 1.00 0.00 C ATOM 70 CZ2 TRP A 4 10.243 -5.883 -8.880 1.00 0.00 C ATOM 71 CZ3 TRP A 4 8.083 -6.226 -9.923 1.00 0.00 C ATOM 72 CH2 TRP A 4 9.445 -5.911 -10.026 1.00 0.00 C ATOM 0 H TRP A 4 6.903 -5.963 -2.830 1.00 0.00 H new ATOM 0 HA TRP A 4 5.999 -5.085 -5.548 1.00 0.00 H new ATOM 0 HB2 TRP A 4 6.875 -7.894 -4.719 1.00 0.00 H new ATOM 0 HB3 TRP A 4 6.037 -7.521 -6.212 1.00 0.00 H new ATOM 0 HD1 TRP A 4 9.324 -6.676 -4.374 1.00 0.00 H new ATOM 0 HE1 TRP A 4 11.140 -6.046 -6.101 1.00 0.00 H new ATOM 0 HE3 TRP A 4 6.463 -6.760 -8.604 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 11.293 -5.639 -8.954 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 7.468 -6.245 -10.811 1.00 0.00 H new ATOM 0 HH2 TRP A 4 9.877 -5.690 -10.991 1.00 0.00 H new ATOM 83 N VAL A 5 3.687 -5.616 -4.748 1.00 0.00 N ATOM 84 CA VAL A 5 2.321 -5.918 -4.239 1.00 0.00 C ATOM 85 C VAL A 5 1.869 -7.289 -4.748 1.00 0.00 C ATOM 86 O VAL A 5 2.129 -7.661 -5.874 1.00 0.00 O ATOM 87 CB VAL A 5 1.344 -4.846 -4.727 1.00 0.00 C ATOM 88 CG1 VAL A 5 1.678 -3.511 -4.061 1.00 0.00 C ATOM 89 CG2 VAL A 5 1.462 -4.698 -6.246 1.00 0.00 C ATOM 0 H VAL A 5 3.730 -4.914 -5.487 1.00 0.00 H new ATOM 0 HA VAL A 5 2.339 -5.926 -3.149 1.00 0.00 H new ATOM 0 HB VAL A 5 0.327 -5.139 -4.468 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.982 -2.747 -4.408 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.594 -3.613 -2.979 1.00 0.00 H new ATOM 0 HG13 VAL A 5 2.696 -3.220 -4.320 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.766 -3.934 -6.592 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.480 -4.406 -6.505 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.225 -5.649 -6.724 1.00 0.00 H new ATOM 99 N LYS A 6 1.187 -8.041 -3.918 1.00 0.00 N ATOM 100 CA LYS A 6 0.696 -9.394 -4.329 1.00 0.00 C ATOM 101 C LYS A 6 -0.828 -9.352 -4.447 1.00 0.00 C ATOM 102 O LYS A 6 -1.428 -10.110 -5.184 1.00 0.00 O ATOM 103 CB LYS A 6 1.094 -10.421 -3.266 1.00 0.00 C ATOM 104 CG LYS A 6 0.872 -11.833 -3.811 1.00 0.00 C ATOM 105 CD LYS A 6 1.039 -12.849 -2.679 1.00 0.00 C ATOM 106 CE LYS A 6 0.664 -14.243 -3.184 1.00 0.00 C ATOM 107 NZ LYS A 6 1.669 -14.696 -4.187 1.00 0.00 N ATOM 0 H LYS A 6 0.947 -7.772 -2.964 1.00 0.00 H new ATOM 0 HA LYS A 6 1.135 -9.674 -5.287 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.140 -10.287 -2.989 1.00 0.00 H new ATOM 0 HB3 LYS A 6 0.503 -10.272 -2.362 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -0.125 -11.915 -4.243 1.00 0.00 H new ATOM 0 HG3 LYS A 6 1.584 -12.042 -4.610 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.069 -12.845 -2.322 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.407 -12.575 -1.834 1.00 0.00 H new ATOM 0 HE2 LYS A 6 0.624 -14.945 -2.351 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -0.329 -14.224 -3.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 1.536 -15.709 -4.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 1.547 -14.158 -5.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 2.627 -14.537 -3.815 1.00 0.00 H new ATOM 121 N LYS A 7 -1.456 -8.463 -3.726 1.00 0.00 N ATOM 122 CA LYS A 7 -2.942 -8.352 -3.785 1.00 0.00 C ATOM 123 C LYS A 7 -3.348 -6.931 -3.394 1.00 0.00 C ATOM 124 O LYS A 7 -2.589 -6.209 -2.778 1.00 0.00 O ATOM 125 CB LYS A 7 -3.570 -9.348 -2.805 1.00 0.00 C ATOM 126 CG LYS A 7 -3.317 -10.779 -3.287 1.00 0.00 C ATOM 127 CD LYS A 7 -4.233 -11.743 -2.530 1.00 0.00 C ATOM 128 CE LYS A 7 -4.005 -13.169 -3.036 1.00 0.00 C ATOM 129 NZ LYS A 7 -4.804 -14.121 -2.214 1.00 0.00 N ATOM 0 H LYS A 7 -1.000 -7.804 -3.094 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.288 -8.573 -4.795 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.147 -9.209 -1.810 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.642 -9.166 -2.724 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -3.502 -10.851 -4.359 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.274 -11.049 -3.125 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.031 -11.689 -1.460 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.275 -11.458 -2.672 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -4.294 -13.245 -4.084 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -2.946 -13.422 -2.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -4.650 -15.090 -2.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -4.507 -14.055 -1.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -5.814 -13.883 -2.291 1.00 0.00 H new ATOM 143 N VAL A 8 -4.536 -6.518 -3.743 1.00 0.00 N ATOM 144 CA VAL A 8 -4.973 -5.139 -3.383 1.00 0.00 C ATOM 145 C VAL A 8 -6.498 -5.036 -3.463 1.00 0.00 C ATOM 146 O VAL A 8 -7.117 -5.533 -4.383 1.00 0.00 O ATOM 147 CB VAL A 8 -4.339 -4.134 -4.351 1.00 0.00 C ATOM 148 CG1 VAL A 8 -4.620 -4.565 -5.791 1.00 0.00 C ATOM 149 CG2 VAL A 8 -4.930 -2.738 -4.109 1.00 0.00 C ATOM 0 H VAL A 8 -5.219 -7.072 -4.259 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.654 -4.917 -2.365 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.262 -4.103 -4.184 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.169 -3.850 -6.479 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -4.195 -5.554 -5.964 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.697 -4.599 -5.957 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -4.477 -2.026 -4.799 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -6.007 -2.766 -4.272 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.726 -2.429 -3.084 1.00 0.00 H new ATOM 159 N GLN A 9 -7.101 -4.382 -2.501 1.00 0.00 N ATOM 160 CA GLN A 9 -8.590 -4.217 -2.491 1.00 0.00 C ATOM 161 C GLN A 9 -8.928 -2.734 -2.666 1.00 0.00 C ATOM 162 O GLN A 9 -8.454 -1.891 -1.932 1.00 0.00 O ATOM 163 CB GLN A 9 -9.145 -4.709 -1.152 1.00 0.00 C ATOM 164 CG GLN A 9 -8.525 -6.064 -0.809 1.00 0.00 C ATOM 165 CD GLN A 9 -9.300 -6.703 0.346 1.00 0.00 C ATOM 166 OE1 GLN A 9 -10.416 -6.315 0.632 1.00 0.00 O ATOM 167 NE2 GLN A 9 -8.752 -7.671 1.026 1.00 0.00 N ATOM 0 H GLN A 9 -6.620 -3.950 -1.712 1.00 0.00 H new ATOM 0 HA GLN A 9 -9.032 -4.795 -3.302 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -8.923 -3.986 -0.367 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -10.230 -4.797 -1.206 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -8.547 -6.717 -1.681 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -7.478 -5.937 -0.532 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -7.816 -7.996 0.786 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -9.260 -8.103 1.798 1.00 0.00 H new ATOM 176 N ASP A 10 -9.738 -2.408 -3.635 1.00 0.00 N ATOM 177 CA ASP A 10 -10.096 -0.978 -3.856 1.00 0.00 C ATOM 178 C ASP A 10 -10.683 -0.388 -2.570 1.00 0.00 C ATOM 179 O ASP A 10 -10.919 -1.088 -1.604 1.00 0.00 O ATOM 180 CB ASP A 10 -11.126 -0.874 -4.982 1.00 0.00 C ATOM 181 CG ASP A 10 -12.264 -1.865 -4.728 1.00 0.00 C ATOM 182 OD1 ASP A 10 -11.980 -3.046 -4.615 1.00 0.00 O ATOM 183 OD2 ASP A 10 -13.399 -1.425 -4.651 1.00 0.00 O ATOM 0 H ASP A 10 -10.167 -3.069 -4.283 1.00 0.00 H new ATOM 0 HA ASP A 10 -9.200 -0.422 -4.132 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -11.519 0.141 -5.036 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -10.654 -1.085 -5.941 1.00 0.00 H new ATOM 188 N ASN A 11 -10.917 0.896 -2.550 1.00 0.00 N ATOM 189 CA ASN A 11 -11.483 1.537 -1.331 1.00 0.00 C ATOM 190 C ASN A 11 -12.962 1.177 -1.206 1.00 0.00 C ATOM 191 O ASN A 11 -13.819 2.038 -1.154 1.00 0.00 O ATOM 192 CB ASN A 11 -11.335 3.056 -1.436 1.00 0.00 C ATOM 193 CG ASN A 11 -12.051 3.554 -2.692 1.00 0.00 C ATOM 194 OD1 ASN A 11 -12.494 2.688 -3.562 1.00 0.00 O flip ATOM 195 ND2 ASN A 11 -12.210 4.743 -2.884 1.00 0.00 N flip ATOM 0 H ASN A 11 -10.740 1.530 -3.329 1.00 0.00 H new ATOM 0 HA ASN A 11 -10.946 1.180 -0.452 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -11.755 3.535 -0.551 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -10.280 3.327 -1.475 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -11.864 5.420 -2.204 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -12.690 5.064 -3.725 1.00 0.00 H new ATOM 202 N ALA A 12 -13.271 -0.087 -1.157 1.00 0.00 N ATOM 203 CA ALA A 12 -14.696 -0.502 -1.035 1.00 0.00 C ATOM 204 C ALA A 12 -15.263 0.008 0.292 1.00 0.00 C ATOM 205 O ALA A 12 -16.458 -0.009 0.514 1.00 0.00 O ATOM 206 CB ALA A 12 -14.785 -2.027 -1.080 1.00 0.00 C ATOM 0 H ALA A 12 -12.598 -0.852 -1.196 1.00 0.00 H new ATOM 0 HA ALA A 12 -15.272 -0.081 -1.859 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -15.827 -2.333 -0.991 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -14.380 -2.387 -2.026 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -14.211 -2.449 -0.255 1.00 0.00 H new ATOM 212 N SER A 13 -14.416 0.462 1.177 1.00 0.00 N ATOM 213 CA SER A 13 -14.906 0.973 2.488 1.00 0.00 C ATOM 214 C SER A 13 -15.357 2.428 2.332 1.00 0.00 C ATOM 215 O SER A 13 -16.418 2.810 2.781 1.00 0.00 O ATOM 216 CB SER A 13 -13.777 0.899 3.518 1.00 0.00 C ATOM 217 OG SER A 13 -13.579 -0.456 3.900 1.00 0.00 O ATOM 0 H SER A 13 -13.405 0.501 1.047 1.00 0.00 H new ATOM 0 HA SER A 13 -15.746 0.365 2.824 1.00 0.00 H new ATOM 0 HB2 SER A 13 -12.858 1.309 3.098 1.00 0.00 H new ATOM 0 HB3 SER A 13 -14.025 1.503 4.391 1.00 0.00 H new ATOM 0 HG SER A 13 -12.855 -0.508 4.559 1.00 0.00 H new ATOM 223 N ALA A 14 -14.555 3.237 1.694 1.00 0.00 N ATOM 224 CA ALA A 14 -14.923 4.670 1.498 1.00 0.00 C ATOM 225 C ALA A 14 -13.728 5.407 0.883 1.00 0.00 C ATOM 226 O ALA A 14 -13.863 6.137 -0.080 1.00 0.00 O ATOM 227 CB ALA A 14 -15.283 5.301 2.854 1.00 0.00 C ATOM 0 H ALA A 14 -13.655 2.966 1.298 1.00 0.00 H new ATOM 0 HA ALA A 14 -15.784 4.745 0.834 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -15.551 6.347 2.709 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -16.127 4.767 3.291 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -14.426 5.236 3.524 1.00 0.00 H new ATOM 233 N SER A 15 -12.561 5.219 1.435 1.00 0.00 N ATOM 234 CA SER A 15 -11.356 5.901 0.890 1.00 0.00 C ATOM 235 C SER A 15 -10.103 5.253 1.480 1.00 0.00 C ATOM 236 O SER A 15 -9.102 5.904 1.703 1.00 0.00 O ATOM 237 CB SER A 15 -11.392 7.382 1.267 1.00 0.00 C ATOM 238 OG SER A 15 -12.419 8.029 0.527 1.00 0.00 O ATOM 0 H SER A 15 -12.391 4.620 2.243 1.00 0.00 H new ATOM 0 HA SER A 15 -11.341 5.807 -0.196 1.00 0.00 H new ATOM 0 HB2 SER A 15 -11.573 7.493 2.336 1.00 0.00 H new ATOM 0 HB3 SER A 15 -10.428 7.846 1.057 1.00 0.00 H new ATOM 0 HG SER A 15 -12.795 7.403 -0.127 1.00 0.00 H new ATOM 244 N LEU A 16 -10.156 3.971 1.739 1.00 0.00 N ATOM 245 CA LEU A 16 -8.976 3.260 2.322 1.00 0.00 C ATOM 246 C LEU A 16 -8.810 1.907 1.629 1.00 0.00 C ATOM 247 O LEU A 16 -9.622 1.017 1.784 1.00 0.00 O ATOM 248 CB LEU A 16 -9.207 3.029 3.820 1.00 0.00 C ATOM 249 CG LEU A 16 -9.075 4.355 4.595 1.00 0.00 C ATOM 250 CD1 LEU A 16 -9.835 4.253 5.921 1.00 0.00 C ATOM 251 CD2 LEU A 16 -7.598 4.657 4.891 1.00 0.00 C ATOM 0 H LEU A 16 -10.971 3.382 1.571 1.00 0.00 H new ATOM 0 HA LEU A 16 -8.080 3.864 2.177 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -10.198 2.604 3.980 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -8.485 2.306 4.199 1.00 0.00 H new ATOM 0 HG LEU A 16 -9.492 5.157 3.985 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -9.741 5.191 6.468 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -10.888 4.053 5.722 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -9.418 3.442 6.518 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.521 5.596 5.439 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -7.175 3.851 5.491 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.048 4.738 3.953 1.00 0.00 H new ATOM 263 N CYS A 17 -7.757 1.744 0.871 1.00 0.00 N ATOM 264 CA CYS A 17 -7.518 0.448 0.165 1.00 0.00 C ATOM 265 C CYS A 17 -6.452 -0.337 0.923 1.00 0.00 C ATOM 266 O CYS A 17 -5.587 0.236 1.549 1.00 0.00 O ATOM 267 CB CYS A 17 -7.023 0.728 -1.254 1.00 0.00 C ATOM 268 SG CYS A 17 -8.292 1.636 -2.166 1.00 0.00 S ATOM 0 H CYS A 17 -7.047 2.458 0.709 1.00 0.00 H new ATOM 0 HA CYS A 17 -8.443 -0.126 0.121 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -6.100 1.306 -1.221 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -6.795 -0.209 -1.762 1.00 0.00 H new ATOM 0 HG CYS A 17 -7.993 2.901 -2.182 1.00 0.00 H new ATOM 274 N ARG A 18 -6.502 -1.642 0.868 1.00 0.00 N ATOM 275 CA ARG A 18 -5.481 -2.474 1.580 1.00 0.00 C ATOM 276 C ARG A 18 -4.577 -3.136 0.543 1.00 0.00 C ATOM 277 O ARG A 18 -5.036 -3.584 -0.488 1.00 0.00 O ATOM 278 CB ARG A 18 -6.186 -3.555 2.403 1.00 0.00 C ATOM 279 CG ARG A 18 -6.849 -2.918 3.627 1.00 0.00 C ATOM 280 CD ARG A 18 -7.392 -4.015 4.542 1.00 0.00 C ATOM 281 NE ARG A 18 -8.099 -3.394 5.697 1.00 0.00 N ATOM 282 CZ ARG A 18 -9.270 -2.845 5.527 1.00 0.00 C ATOM 283 NH1 ARG A 18 -9.822 -2.840 4.345 1.00 0.00 N ATOM 284 NH2 ARG A 18 -9.889 -2.300 6.539 1.00 0.00 N ATOM 0 H ARG A 18 -7.209 -2.172 0.358 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.888 -1.845 2.244 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.935 -4.060 1.793 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -5.468 -4.312 2.718 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -6.128 -2.304 4.166 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -7.658 -2.258 3.313 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -8.074 -4.660 3.989 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -6.576 -4.644 4.897 1.00 0.00 H new ATOM 0 HE ARG A 18 -7.667 -3.398 6.621 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -9.338 -3.265 3.554 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -10.738 -2.411 4.212 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -9.457 -2.303 7.463 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -10.805 -1.871 6.406 1.00 0.00 H new ATOM 298 N VAL A 19 -3.295 -3.191 0.803 1.00 0.00 N ATOM 299 CA VAL A 19 -2.346 -3.817 -0.176 1.00 0.00 C ATOM 300 C VAL A 19 -1.394 -4.761 0.551 1.00 0.00 C ATOM 301 O VAL A 19 -0.873 -4.448 1.604 1.00 0.00 O ATOM 302 CB VAL A 19 -1.511 -2.728 -0.852 1.00 0.00 C ATOM 303 CG1 VAL A 19 -2.421 -1.789 -1.641 1.00 0.00 C ATOM 304 CG2 VAL A 19 -0.754 -1.936 0.214 1.00 0.00 C ATOM 0 H VAL A 19 -2.861 -2.829 1.652 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.926 -4.367 -0.917 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.800 -3.191 -1.537 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.819 -1.016 -2.120 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.956 -2.356 -2.403 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.138 -1.324 -0.965 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.158 -1.159 -0.265 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.466 -1.476 0.900 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.098 -2.607 0.768 1.00 0.00 H new ATOM 314 N VAL A 20 -1.141 -5.907 -0.019 1.00 0.00 N ATOM 315 CA VAL A 20 -0.193 -6.867 0.613 1.00 0.00 C ATOM 316 C VAL A 20 1.181 -6.670 -0.028 1.00 0.00 C ATOM 317 O VAL A 20 1.366 -6.918 -1.203 1.00 0.00 O ATOM 318 CB VAL A 20 -0.670 -8.302 0.372 1.00 0.00 C ATOM 319 CG1 VAL A 20 0.129 -9.259 1.258 1.00 0.00 C ATOM 320 CG2 VAL A 20 -2.157 -8.409 0.719 1.00 0.00 C ATOM 0 H VAL A 20 -1.552 -6.221 -0.898 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.140 -6.691 1.687 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.520 -8.565 -0.675 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.210 -10.281 1.088 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.188 -9.182 1.014 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.022 -8.997 2.305 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.498 -9.430 0.548 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.306 -8.147 1.767 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.728 -7.726 0.090 1.00 0.00 H new ATOM 330 N LEU A 21 2.144 -6.205 0.723 1.00 0.00 N ATOM 331 CA LEU A 21 3.502 -5.969 0.138 1.00 0.00 C ATOM 332 C LEU A 21 4.398 -7.184 0.387 1.00 0.00 C ATOM 333 O LEU A 21 4.601 -7.605 1.509 1.00 0.00 O ATOM 334 CB LEU A 21 4.129 -4.742 0.804 1.00 0.00 C ATOM 335 CG LEU A 21 3.099 -3.615 0.873 1.00 0.00 C ATOM 336 CD1 LEU A 21 3.763 -2.356 1.433 1.00 0.00 C ATOM 337 CD2 LEU A 21 2.555 -3.331 -0.532 1.00 0.00 C ATOM 0 H LEU A 21 2.052 -5.978 1.713 1.00 0.00 H new ATOM 0 HA LEU A 21 3.406 -5.806 -0.935 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.473 -4.996 1.807 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.003 -4.416 0.240 1.00 0.00 H new ATOM 0 HG LEU A 21 2.276 -3.911 1.524 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.031 -1.550 1.483 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.147 -2.561 2.433 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.586 -2.059 0.783 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.820 -2.527 -0.482 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.375 -3.034 -1.186 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.083 -4.230 -0.928 1.00 0.00 H new ATOM 349 N GLN A 22 4.936 -7.749 -0.665 1.00 0.00 N ATOM 350 CA GLN A 22 5.826 -8.940 -0.524 1.00 0.00 C ATOM 351 C GLN A 22 7.287 -8.493 -0.586 1.00 0.00 C ATOM 352 O GLN A 22 7.612 -7.479 -1.173 1.00 0.00 O ATOM 353 CB GLN A 22 5.546 -9.917 -1.668 1.00 0.00 C ATOM 354 CG GLN A 22 6.510 -11.100 -1.578 1.00 0.00 C ATOM 355 CD GLN A 22 6.041 -12.214 -2.517 1.00 0.00 C ATOM 356 OE1 GLN A 22 4.855 -12.431 -2.676 1.00 0.00 O ATOM 357 NE2 GLN A 22 6.926 -12.935 -3.150 1.00 0.00 N ATOM 0 H GLN A 22 4.795 -7.432 -1.624 1.00 0.00 H new ATOM 0 HA GLN A 22 5.635 -9.429 0.431 1.00 0.00 H new ATOM 0 HB2 GLN A 22 4.516 -10.269 -1.615 1.00 0.00 H new ATOM 0 HB3 GLN A 22 5.662 -9.413 -2.627 1.00 0.00 H new ATOM 0 HG2 GLN A 22 7.517 -10.783 -1.847 1.00 0.00 H new ATOM 0 HG3 GLN A 22 6.555 -11.469 -0.553 1.00 0.00 H new ATOM 0 HE21 GLN A 22 7.921 -12.754 -3.017 1.00 0.00 H new ATOM 0 HE22 GLN A 22 6.623 -13.680 -3.777 1.00 0.00 H new ATOM 366 N SER A 23 8.174 -9.244 0.015 1.00 0.00 N ATOM 367 CA SER A 23 9.621 -8.867 -0.005 1.00 0.00 C ATOM 368 C SER A 23 10.480 -10.132 -0.052 1.00 0.00 C ATOM 369 O SER A 23 10.753 -10.747 0.959 1.00 0.00 O ATOM 370 CB SER A 23 9.956 -8.072 1.258 1.00 0.00 C ATOM 371 OG SER A 23 9.561 -8.817 2.401 1.00 0.00 O ATOM 0 H SER A 23 7.959 -10.104 0.520 1.00 0.00 H new ATOM 0 HA SER A 23 9.825 -8.258 -0.886 1.00 0.00 H new ATOM 0 HB2 SER A 23 11.025 -7.864 1.297 1.00 0.00 H new ATOM 0 HB3 SER A 23 9.444 -7.110 1.242 1.00 0.00 H new ATOM 0 HG SER A 23 9.921 -9.727 2.339 1.00 0.00 H new ATOM 377 N GLY A 24 10.911 -10.523 -1.221 1.00 0.00 N ATOM 378 CA GLY A 24 11.756 -11.746 -1.335 1.00 0.00 C ATOM 379 C GLY A 24 10.898 -12.988 -1.095 1.00 0.00 C ATOM 380 O GLY A 24 10.798 -13.858 -1.938 1.00 0.00 O ATOM 0 H GLY A 24 10.714 -10.048 -2.102 1.00 0.00 H new ATOM 0 HA2 GLY A 24 12.213 -11.793 -2.323 1.00 0.00 H new ATOM 0 HA3 GLY A 24 12.569 -11.707 -0.609 1.00 0.00 H new ATOM 384 N ALA A 25 10.277 -13.080 0.049 1.00 0.00 N ATOM 385 CA ALA A 25 9.426 -14.268 0.344 1.00 0.00 C ATOM 386 C ALA A 25 8.439 -13.924 1.461 1.00 0.00 C ATOM 387 O ALA A 25 7.320 -14.397 1.481 1.00 0.00 O ATOM 388 CB ALA A 25 10.313 -15.433 0.788 1.00 0.00 C ATOM 0 H ALA A 25 10.322 -12.383 0.793 1.00 0.00 H new ATOM 0 HA ALA A 25 8.875 -14.552 -0.553 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.691 -16.302 1.004 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.016 -15.679 -0.008 1.00 0.00 H new ATOM 0 HB3 ALA A 25 10.864 -15.149 1.685 1.00 0.00 H new ATOM 394 N LEU A 26 8.843 -13.102 2.390 1.00 0.00 N ATOM 395 CA LEU A 26 7.926 -12.727 3.503 1.00 0.00 C ATOM 396 C LEU A 26 6.745 -11.933 2.941 1.00 0.00 C ATOM 397 O LEU A 26 6.729 -11.568 1.782 1.00 0.00 O ATOM 398 CB LEU A 26 8.683 -11.870 4.523 1.00 0.00 C ATOM 399 CG LEU A 26 10.062 -12.479 4.787 1.00 0.00 C ATOM 400 CD1 LEU A 26 10.754 -11.703 5.909 1.00 0.00 C ATOM 401 CD2 LEU A 26 9.904 -13.946 5.203 1.00 0.00 C ATOM 0 H LEU A 26 9.768 -12.674 2.427 1.00 0.00 H new ATOM 0 HA LEU A 26 7.558 -13.629 3.992 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.790 -10.852 4.149 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.117 -11.810 5.453 1.00 0.00 H new ATOM 0 HG LEU A 26 10.663 -12.423 3.880 1.00 0.00 H new ATOM 0 HD11 LEU A 26 11.736 -12.136 6.098 1.00 0.00 H new ATOM 0 HD12 LEU A 26 10.868 -10.660 5.614 1.00 0.00 H new ATOM 0 HD13 LEU A 26 10.152 -11.760 6.816 1.00 0.00 H new ATOM 0 HD21 LEU A 26 10.887 -14.379 5.391 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.302 -14.004 6.110 1.00 0.00 H new ATOM 0 HD23 LEU A 26 9.410 -14.500 4.404 1.00 0.00 H new ATOM 413 N GLU A 27 5.756 -11.664 3.755 1.00 0.00 N ATOM 414 CA GLU A 27 4.566 -10.891 3.278 1.00 0.00 C ATOM 415 C GLU A 27 4.167 -9.869 4.342 1.00 0.00 C ATOM 416 O GLU A 27 4.404 -10.058 5.519 1.00 0.00 O ATOM 417 CB GLU A 27 3.399 -11.851 3.028 1.00 0.00 C ATOM 418 CG GLU A 27 3.903 -13.085 2.278 1.00 0.00 C ATOM 419 CD GLU A 27 2.721 -13.995 1.938 1.00 0.00 C ATOM 420 OE1 GLU A 27 1.660 -13.791 2.505 1.00 0.00 O ATOM 421 OE2 GLU A 27 2.897 -14.880 1.116 1.00 0.00 O ATOM 0 H GLU A 27 5.720 -11.947 4.734 1.00 0.00 H new ATOM 0 HA GLU A 27 4.814 -10.374 2.351 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.949 -12.147 3.976 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.622 -11.352 2.448 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.418 -12.784 1.366 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.627 -13.624 2.889 1.00 0.00 H new ATOM 428 N MET A 28 3.563 -8.781 3.938 1.00 0.00 N ATOM 429 CA MET A 28 3.144 -7.735 4.919 1.00 0.00 C ATOM 430 C MET A 28 1.789 -7.166 4.499 1.00 0.00 C ATOM 431 O MET A 28 1.397 -7.262 3.354 1.00 0.00 O ATOM 432 CB MET A 28 4.184 -6.611 4.937 1.00 0.00 C ATOM 433 CG MET A 28 5.571 -7.202 5.191 1.00 0.00 C ATOM 434 SD MET A 28 6.723 -5.872 5.619 1.00 0.00 S ATOM 435 CE MET A 28 7.898 -6.882 6.555 1.00 0.00 C ATOM 0 H MET A 28 3.341 -8.571 2.965 1.00 0.00 H new ATOM 0 HA MET A 28 3.065 -8.174 5.913 1.00 0.00 H new ATOM 0 HB2 MET A 28 4.173 -6.076 3.987 1.00 0.00 H new ATOM 0 HB3 MET A 28 3.938 -5.886 5.713 1.00 0.00 H new ATOM 0 HG2 MET A 28 5.525 -7.932 5.999 1.00 0.00 H new ATOM 0 HG3 MET A 28 5.921 -7.730 4.304 1.00 0.00 H new ATOM 0 HE1 MET A 28 8.660 -6.239 6.995 1.00 0.00 H new ATOM 0 HE2 MET A 28 7.371 -7.414 7.347 1.00 0.00 H new ATOM 0 HE3 MET A 28 8.372 -7.602 5.887 1.00 0.00 H new ATOM 445 N ILE A 29 1.076 -6.564 5.420 1.00 0.00 N ATOM 446 CA ILE A 29 -0.259 -5.967 5.094 1.00 0.00 C ATOM 447 C ILE A 29 -0.252 -4.518 5.570 1.00 0.00 C ATOM 448 O ILE A 29 0.253 -4.211 6.632 1.00 0.00 O ATOM 449 CB ILE A 29 -1.368 -6.746 5.814 1.00 0.00 C ATOM 450 CG1 ILE A 29 -1.510 -8.130 5.173 1.00 0.00 C ATOM 451 CG2 ILE A 29 -2.695 -5.988 5.687 1.00 0.00 C ATOM 452 CD1 ILE A 29 -2.452 -8.994 6.017 1.00 0.00 C ATOM 0 H ILE A 29 1.364 -6.459 6.393 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.445 -6.014 4.021 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.112 -6.853 6.868 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.899 -8.034 4.159 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.533 -8.608 5.096 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.481 -6.543 6.199 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -2.595 -5.001 6.138 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -2.953 -5.881 4.634 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.551 -9.978 5.559 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.045 -9.101 7.022 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.431 -8.518 6.071 1.00 0.00 H new ATOM 464 N ALA A 30 -0.785 -3.614 4.792 1.00 0.00 N ATOM 465 CA ALA A 30 -0.776 -2.184 5.215 1.00 0.00 C ATOM 466 C ALA A 30 -2.007 -1.456 4.687 1.00 0.00 C ATOM 467 O ALA A 30 -2.426 -1.647 3.563 1.00 0.00 O ATOM 468 CB ALA A 30 0.485 -1.518 4.661 1.00 0.00 C ATOM 0 H ALA A 30 -1.222 -3.801 3.890 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.788 -2.133 6.304 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.506 -0.471 4.962 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.367 -2.026 5.052 1.00 0.00 H new ATOM 0 HB3 ALA A 30 0.482 -1.582 3.573 1.00 0.00 H new ATOM 474 N GLU A 31 -2.575 -0.600 5.494 1.00 0.00 N ATOM 475 CA GLU A 31 -3.767 0.171 5.047 1.00 0.00 C ATOM 476 C GLU A 31 -3.279 1.365 4.221 1.00 0.00 C ATOM 477 O GLU A 31 -2.361 2.062 4.607 1.00 0.00 O ATOM 478 CB GLU A 31 -4.548 0.659 6.273 1.00 0.00 C ATOM 479 CG GLU A 31 -5.446 -0.465 6.796 1.00 0.00 C ATOM 480 CD GLU A 31 -4.587 -1.676 7.164 1.00 0.00 C ATOM 481 OE1 GLU A 31 -4.064 -1.693 8.266 1.00 0.00 O ATOM 482 OE2 GLU A 31 -4.467 -2.565 6.338 1.00 0.00 O ATOM 0 H GLU A 31 -2.263 -0.402 6.445 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.425 -0.454 4.443 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.857 0.977 7.053 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.152 1.527 6.009 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.004 -0.123 7.668 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.178 -0.742 6.038 1.00 0.00 H new ATOM 489 N ILE A 32 -3.874 1.587 3.077 1.00 0.00 N ATOM 490 CA ILE A 32 -3.448 2.714 2.186 1.00 0.00 C ATOM 491 C ILE A 32 -4.582 3.742 2.082 1.00 0.00 C ATOM 492 O ILE A 32 -5.749 3.405 2.109 1.00 0.00 O ATOM 493 CB ILE A 32 -3.108 2.116 0.793 1.00 0.00 C ATOM 494 CG1 ILE A 32 -1.614 1.751 0.730 1.00 0.00 C ATOM 495 CG2 ILE A 32 -3.424 3.100 -0.340 1.00 0.00 C ATOM 496 CD1 ILE A 32 -1.224 0.894 1.940 1.00 0.00 C ATOM 0 H ILE A 32 -4.648 1.029 2.716 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.572 3.222 2.589 1.00 0.00 H new ATOM 0 HB ILE A 32 -3.723 1.226 0.661 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.404 1.208 -0.192 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.011 2.659 0.710 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.172 2.645 -1.298 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.486 3.346 -0.323 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.839 4.010 -0.206 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.165 0.643 1.882 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.416 1.451 2.857 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.814 -0.022 1.942 1.00 0.00 H new ATOM 508 N GLU A 33 -4.229 4.999 1.950 1.00 0.00 N ATOM 509 CA GLU A 33 -5.255 6.081 1.825 1.00 0.00 C ATOM 510 C GLU A 33 -4.950 6.897 0.568 1.00 0.00 C ATOM 511 O GLU A 33 -4.080 7.745 0.564 1.00 0.00 O ATOM 512 CB GLU A 33 -5.185 6.993 3.053 1.00 0.00 C ATOM 513 CG GLU A 33 -6.391 7.934 3.059 1.00 0.00 C ATOM 514 CD GLU A 33 -6.319 8.848 4.283 1.00 0.00 C ATOM 515 OE1 GLU A 33 -5.738 8.436 5.273 1.00 0.00 O ATOM 516 OE2 GLU A 33 -6.847 9.946 4.210 1.00 0.00 O ATOM 0 H GLU A 33 -3.262 5.324 1.923 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.252 5.646 1.757 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -5.173 6.394 3.964 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.260 7.570 3.039 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -6.405 8.531 2.147 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -7.316 7.357 3.077 1.00 0.00 H new ATOM 523 N ALA A 34 -5.651 6.637 -0.508 1.00 0.00 N ATOM 524 CA ALA A 34 -5.396 7.386 -1.779 1.00 0.00 C ATOM 525 C ALA A 34 -6.727 7.708 -2.461 1.00 0.00 C ATOM 526 O ALA A 34 -7.774 7.694 -1.846 1.00 0.00 O ATOM 527 CB ALA A 34 -4.550 6.516 -2.713 1.00 0.00 C ATOM 0 H ALA A 34 -6.391 5.937 -0.562 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.869 8.313 -1.555 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.361 7.056 -3.641 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.602 6.280 -2.231 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -5.085 5.592 -2.933 1.00 0.00 H new ATOM 533 N CYS A 35 -6.690 8.000 -3.735 1.00 0.00 N ATOM 534 CA CYS A 35 -7.946 8.328 -4.472 1.00 0.00 C ATOM 535 C CYS A 35 -7.801 7.890 -5.932 1.00 0.00 C ATOM 536 O CYS A 35 -8.765 7.822 -6.668 1.00 0.00 O ATOM 537 CB CYS A 35 -8.193 9.836 -4.416 1.00 0.00 C ATOM 538 SG CYS A 35 -8.292 10.367 -2.688 1.00 0.00 S ATOM 0 H CYS A 35 -5.840 8.025 -4.299 1.00 0.00 H new ATOM 0 HA CYS A 35 -8.786 7.807 -4.013 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -7.388 10.366 -4.925 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -9.118 10.084 -4.937 1.00 0.00 H new ATOM 0 HG CYS A 35 -8.414 9.325 -1.920 1.00 0.00 H new ATOM 544 N ARG A 36 -6.603 7.587 -6.353 1.00 0.00 N ATOM 545 CA ARG A 36 -6.398 7.148 -7.762 1.00 0.00 C ATOM 546 C ARG A 36 -6.889 5.709 -7.916 1.00 0.00 C ATOM 547 O ARG A 36 -7.389 5.319 -8.952 1.00 0.00 O ATOM 548 CB ARG A 36 -4.909 7.220 -8.108 1.00 0.00 C ATOM 549 CG ARG A 36 -4.456 8.682 -8.114 1.00 0.00 C ATOM 550 CD ARG A 36 -2.947 8.748 -8.347 1.00 0.00 C ATOM 551 NE ARG A 36 -2.500 10.169 -8.305 1.00 0.00 N ATOM 552 CZ ARG A 36 -2.705 10.949 -9.332 1.00 0.00 C ATOM 553 NH1 ARG A 36 -3.303 10.484 -10.395 1.00 0.00 N ATOM 554 NH2 ARG A 36 -2.313 12.193 -9.296 1.00 0.00 N ATOM 0 H ARG A 36 -5.758 7.625 -5.782 1.00 0.00 H new ATOM 0 HA ARG A 36 -6.956 7.800 -8.434 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.328 6.651 -7.382 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.729 6.769 -9.084 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.980 9.233 -8.895 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.709 9.156 -7.166 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.425 8.169 -7.586 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.697 8.305 -9.311 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.034 10.532 -7.474 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.610 9.512 -10.423 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.463 11.093 -11.197 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -1.846 12.557 -8.465 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -2.473 12.802 -10.099 1.00 0.00 H new ATOM 568 N LEU A 37 -6.758 4.917 -6.884 1.00 0.00 N ATOM 569 CA LEU A 37 -7.223 3.505 -6.956 1.00 0.00 C ATOM 570 C LEU A 37 -6.752 2.867 -8.266 1.00 0.00 C ATOM 571 O LEU A 37 -7.304 1.889 -8.727 1.00 0.00 O ATOM 572 CB LEU A 37 -8.750 3.484 -6.875 1.00 0.00 C ATOM 573 CG LEU A 37 -9.220 4.529 -5.858 1.00 0.00 C ATOM 574 CD1 LEU A 37 -10.729 4.388 -5.644 1.00 0.00 C ATOM 575 CD2 LEU A 37 -8.495 4.318 -4.525 1.00 0.00 C ATOM 0 H LEU A 37 -6.347 5.191 -5.992 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.806 2.934 -6.126 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -9.180 3.694 -7.854 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -9.096 2.493 -6.581 1.00 0.00 H new ATOM 0 HG LEU A 37 -8.995 5.526 -6.236 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -11.065 5.131 -4.921 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -11.247 4.543 -6.591 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -10.951 3.389 -5.268 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.833 5.064 -3.805 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -8.716 3.321 -4.145 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.420 4.420 -4.675 1.00 0.00 H new ATOM 587 N ARG A 38 -5.727 3.415 -8.866 1.00 0.00 N ATOM 588 CA ARG A 38 -5.207 2.846 -10.144 1.00 0.00 C ATOM 589 C ARG A 38 -4.132 1.802 -9.822 1.00 0.00 C ATOM 590 O ARG A 38 -3.382 1.376 -10.677 1.00 0.00 O ATOM 591 CB ARG A 38 -4.598 3.976 -10.985 1.00 0.00 C ATOM 592 CG ARG A 38 -4.521 3.555 -12.460 1.00 0.00 C ATOM 593 CD ARG A 38 -3.480 4.409 -13.187 1.00 0.00 C ATOM 594 NE ARG A 38 -3.655 4.263 -14.659 1.00 0.00 N ATOM 595 CZ ARG A 38 -2.961 5.009 -15.474 1.00 0.00 C ATOM 596 NH1 ARG A 38 -2.116 5.882 -15.001 1.00 0.00 N ATOM 597 NH2 ARG A 38 -3.113 4.881 -16.764 1.00 0.00 N ATOM 0 H ARG A 38 -5.226 4.235 -8.524 1.00 0.00 H new ATOM 0 HA ARG A 38 -6.016 2.375 -10.703 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -5.202 4.878 -10.888 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -3.602 4.218 -10.616 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -4.256 2.500 -12.534 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -5.496 3.672 -12.933 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -3.588 5.455 -12.900 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -2.475 4.101 -12.898 1.00 0.00 H new ATOM 0 HE ARG A 38 -4.317 3.581 -15.029 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -1.997 5.982 -13.993 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -1.574 6.465 -15.639 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -3.774 4.198 -17.134 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -2.571 5.464 -17.402 1.00 0.00 H new ATOM 611 N LEU A 39 -4.053 1.391 -8.588 1.00 0.00 N ATOM 612 CA LEU A 39 -3.032 0.381 -8.199 1.00 0.00 C ATOM 613 C LEU A 39 -3.314 -0.929 -8.933 1.00 0.00 C ATOM 614 O LEU A 39 -4.385 -1.134 -9.469 1.00 0.00 O ATOM 615 CB LEU A 39 -3.098 0.139 -6.688 1.00 0.00 C ATOM 616 CG LEU A 39 -3.146 1.478 -5.945 1.00 0.00 C ATOM 617 CD1 LEU A 39 -3.249 1.218 -4.440 1.00 0.00 C ATOM 618 CD2 LEU A 39 -1.870 2.275 -6.238 1.00 0.00 C ATOM 0 H LEU A 39 -4.654 1.713 -7.829 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.040 0.746 -8.465 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.980 -0.453 -6.444 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.229 -0.435 -6.365 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.013 2.048 -6.279 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.283 2.169 -3.908 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.156 0.652 -4.230 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.381 0.648 -4.109 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.906 3.227 -5.709 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.002 1.707 -5.904 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.794 2.458 -7.310 1.00 0.00 H new ATOM 630 N ARG A 40 -2.362 -1.818 -8.960 1.00 0.00 N ATOM 631 CA ARG A 40 -2.578 -3.116 -9.657 1.00 0.00 C ATOM 632 C ARG A 40 -1.549 -4.135 -9.164 1.00 0.00 C ATOM 633 O ARG A 40 -0.565 -3.786 -8.544 1.00 0.00 O ATOM 634 CB ARG A 40 -2.419 -2.917 -11.166 1.00 0.00 C ATOM 635 CG ARG A 40 -1.083 -2.231 -11.453 1.00 0.00 C ATOM 636 CD ARG A 40 -0.888 -2.106 -12.965 1.00 0.00 C ATOM 637 NE ARG A 40 -2.036 -1.362 -13.554 1.00 0.00 N ATOM 638 CZ ARG A 40 -2.224 -1.366 -14.845 1.00 0.00 C ATOM 639 NH1 ARG A 40 -1.408 -2.025 -15.621 1.00 0.00 N ATOM 640 NH2 ARG A 40 -3.230 -0.714 -15.360 1.00 0.00 N ATOM 0 H ARG A 40 -1.444 -1.703 -8.530 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.582 -3.482 -9.444 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -2.463 -3.879 -11.677 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -3.240 -2.313 -11.552 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -1.062 -1.244 -10.990 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -0.266 -2.805 -11.017 1.00 0.00 H new ATOM 0 HD2 ARG A 40 0.045 -1.586 -13.180 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.812 -3.096 -13.416 1.00 0.00 H new ATOM 0 HE ARG A 40 -2.676 -0.849 -12.947 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -0.623 -2.537 -15.218 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.555 -2.028 -16.630 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -3.870 -0.201 -14.753 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -3.377 -0.717 -16.369 1.00 0.00 H new ATOM 654 N GLU A 41 -1.766 -5.391 -9.436 1.00 0.00 N ATOM 655 CA GLU A 41 -0.801 -6.430 -8.982 1.00 0.00 C ATOM 656 C GLU A 41 0.520 -6.266 -9.738 1.00 0.00 C ATOM 657 O GLU A 41 0.542 -5.917 -10.901 1.00 0.00 O ATOM 658 CB GLU A 41 -1.377 -7.820 -9.261 1.00 0.00 C ATOM 659 CG GLU A 41 -2.567 -8.075 -8.334 1.00 0.00 C ATOM 660 CD GLU A 41 -3.165 -9.450 -8.637 1.00 0.00 C ATOM 661 OE1 GLU A 41 -2.830 -10.005 -9.670 1.00 0.00 O ATOM 662 OE2 GLU A 41 -3.946 -9.926 -7.829 1.00 0.00 O ATOM 0 H GLU A 41 -2.571 -5.743 -9.954 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.625 -6.317 -7.912 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.691 -7.893 -10.302 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.612 -8.580 -9.105 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.247 -8.027 -7.293 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.321 -7.300 -8.472 1.00 0.00 H new ATOM 669 N GLY A 42 1.623 -6.520 -9.086 1.00 0.00 N ATOM 670 CA GLY A 42 2.946 -6.383 -9.765 1.00 0.00 C ATOM 671 C GLY A 42 3.422 -4.931 -9.683 1.00 0.00 C ATOM 672 O GLY A 42 4.361 -4.539 -10.346 1.00 0.00 O ATOM 0 H GLY A 42 1.666 -6.817 -8.111 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.676 -7.042 -9.295 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.864 -6.690 -10.808 1.00 0.00 H new ATOM 676 N ASP A 43 2.785 -4.129 -8.874 1.00 0.00 N ATOM 677 CA ASP A 43 3.208 -2.705 -8.755 1.00 0.00 C ATOM 678 C ASP A 43 4.486 -2.621 -7.916 1.00 0.00 C ATOM 679 O ASP A 43 4.585 -3.208 -6.856 1.00 0.00 O ATOM 680 CB ASP A 43 2.098 -1.894 -8.079 1.00 0.00 C ATOM 681 CG ASP A 43 2.350 -0.402 -8.298 1.00 0.00 C ATOM 682 OD1 ASP A 43 3.441 -0.060 -8.720 1.00 0.00 O ATOM 683 OD2 ASP A 43 1.444 0.375 -8.039 1.00 0.00 O ATOM 0 H ASP A 43 1.992 -4.398 -8.292 1.00 0.00 H new ATOM 0 HA ASP A 43 3.398 -2.299 -9.749 1.00 0.00 H new ATOM 0 HB2 ASP A 43 1.128 -2.174 -8.489 1.00 0.00 H new ATOM 0 HB3 ASP A 43 2.069 -2.116 -7.012 1.00 0.00 H new ATOM 688 N LYS A 44 5.468 -1.894 -8.384 1.00 0.00 N ATOM 689 CA LYS A 44 6.747 -1.766 -7.624 1.00 0.00 C ATOM 690 C LYS A 44 6.696 -0.515 -6.743 1.00 0.00 C ATOM 691 O LYS A 44 6.627 0.596 -7.233 1.00 0.00 O ATOM 692 CB LYS A 44 7.908 -1.643 -8.612 1.00 0.00 C ATOM 693 CG LYS A 44 7.944 -2.877 -9.520 1.00 0.00 C ATOM 694 CD LYS A 44 8.805 -2.585 -10.754 1.00 0.00 C ATOM 695 CE LYS A 44 10.180 -2.073 -10.317 1.00 0.00 C ATOM 696 NZ LYS A 44 10.075 -0.640 -9.919 1.00 0.00 N ATOM 0 H LYS A 44 5.438 -1.381 -9.265 1.00 0.00 H new ATOM 0 HA LYS A 44 6.889 -2.646 -6.996 1.00 0.00 H new ATOM 0 HB2 LYS A 44 7.794 -0.741 -9.212 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.850 -1.549 -8.072 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.349 -3.730 -8.975 1.00 0.00 H new ATOM 0 HG3 LYS A 44 6.933 -3.145 -9.825 1.00 0.00 H new ATOM 0 HD2 LYS A 44 8.917 -3.489 -11.353 1.00 0.00 H new ATOM 0 HD3 LYS A 44 8.314 -1.844 -11.384 1.00 0.00 H new ATOM 0 HE2 LYS A 44 10.552 -2.667 -9.482 1.00 0.00 H new ATOM 0 HE3 LYS A 44 10.896 -2.184 -11.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 10.792 -0.085 -10.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 9.128 -0.282 -10.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 10.231 -0.552 -8.895 1.00 0.00 H new ATOM 710 N LEU A 45 6.732 -0.687 -5.446 1.00 0.00 N ATOM 711 CA LEU A 45 6.687 0.488 -4.519 1.00 0.00 C ATOM 712 C LEU A 45 8.098 0.789 -4.004 1.00 0.00 C ATOM 713 O LEU A 45 8.666 0.027 -3.248 1.00 0.00 O ATOM 714 CB LEU A 45 5.777 0.163 -3.331 1.00 0.00 C ATOM 715 CG LEU A 45 4.495 -0.508 -3.831 1.00 0.00 C ATOM 716 CD1 LEU A 45 3.531 -0.692 -2.658 1.00 0.00 C ATOM 717 CD2 LEU A 45 3.838 0.370 -4.901 1.00 0.00 C ATOM 0 H LEU A 45 6.791 -1.595 -4.985 1.00 0.00 H new ATOM 0 HA LEU A 45 6.300 1.356 -5.053 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.295 -0.495 -2.633 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.533 1.076 -2.787 1.00 0.00 H new ATOM 0 HG LEU A 45 4.737 -1.480 -4.262 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.617 -1.170 -3.010 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.998 -1.318 -1.898 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.290 0.281 -2.229 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.926 -0.110 -5.255 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.594 1.343 -4.474 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.526 0.502 -5.736 1.00 0.00 H new ATOM 729 N THR A 46 8.668 1.898 -4.404 1.00 0.00 N ATOM 730 CA THR A 46 10.041 2.249 -3.931 1.00 0.00 C ATOM 731 C THR A 46 9.931 3.117 -2.666 1.00 0.00 C ATOM 732 O THR A 46 8.974 3.848 -2.503 1.00 0.00 O ATOM 733 CB THR A 46 10.767 3.038 -5.025 1.00 0.00 C ATOM 734 OG1 THR A 46 11.786 3.834 -4.437 1.00 0.00 O ATOM 735 CG2 THR A 46 9.768 3.939 -5.751 1.00 0.00 C ATOM 0 H THR A 46 8.242 2.575 -5.037 1.00 0.00 H new ATOM 0 HA THR A 46 10.598 1.339 -3.707 1.00 0.00 H new ATOM 0 HB THR A 46 11.215 2.345 -5.738 1.00 0.00 H new ATOM 0 HG1 THR A 46 12.252 4.338 -5.137 1.00 0.00 H new ATOM 0 HG21 THR A 46 10.284 4.501 -6.530 1.00 0.00 H new ATOM 0 HG22 THR A 46 8.987 3.327 -6.202 1.00 0.00 H new ATOM 0 HG23 THR A 46 9.320 4.633 -5.040 1.00 0.00 H new ATOM 743 N PRO A 47 10.895 3.049 -1.776 1.00 0.00 N ATOM 744 CA PRO A 47 10.879 3.855 -0.517 1.00 0.00 C ATOM 745 C PRO A 47 11.192 5.334 -0.778 1.00 0.00 C ATOM 746 O PRO A 47 12.139 5.665 -1.463 1.00 0.00 O ATOM 747 CB PRO A 47 11.978 3.205 0.334 1.00 0.00 C ATOM 748 CG PRO A 47 12.946 2.655 -0.662 1.00 0.00 C ATOM 749 CD PRO A 47 12.105 2.206 -1.860 1.00 0.00 C ATOM 0 HA PRO A 47 9.901 3.854 -0.036 1.00 0.00 H new ATOM 0 HB2 PRO A 47 12.455 3.933 0.990 1.00 0.00 H new ATOM 0 HB3 PRO A 47 11.574 2.418 0.971 1.00 0.00 H new ATOM 0 HG2 PRO A 47 13.674 3.410 -0.957 1.00 0.00 H new ATOM 0 HG3 PRO A 47 13.506 1.819 -0.242 1.00 0.00 H new ATOM 0 HD2 PRO A 47 12.635 2.359 -2.800 1.00 0.00 H new ATOM 0 HD3 PRO A 47 11.859 1.146 -1.801 1.00 0.00 H new ATOM 757 N LEU A 48 10.405 6.225 -0.235 1.00 0.00 N ATOM 758 CA LEU A 48 10.662 7.679 -0.452 1.00 0.00 C ATOM 759 C LEU A 48 11.738 8.152 0.529 1.00 0.00 C ATOM 760 O LEU A 48 12.840 8.484 0.141 1.00 0.00 O ATOM 761 CB LEU A 48 9.366 8.467 -0.221 1.00 0.00 C ATOM 762 CG LEU A 48 9.602 9.970 -0.454 1.00 0.00 C ATOM 763 CD1 LEU A 48 10.055 10.220 -1.903 1.00 0.00 C ATOM 764 CD2 LEU A 48 8.296 10.726 -0.185 1.00 0.00 C ATOM 0 H LEU A 48 9.597 6.009 0.348 1.00 0.00 H new ATOM 0 HA LEU A 48 11.005 7.844 -1.473 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.589 8.106 -0.894 1.00 0.00 H new ATOM 0 HB3 LEU A 48 9.009 8.302 0.796 1.00 0.00 H new ATOM 0 HG LEU A 48 10.382 10.322 0.221 1.00 0.00 H new ATOM 0 HD11 LEU A 48 10.218 11.287 -2.054 1.00 0.00 H new ATOM 0 HD12 LEU A 48 10.983 9.680 -2.092 1.00 0.00 H new ATOM 0 HD13 LEU A 48 9.285 9.870 -2.590 1.00 0.00 H new ATOM 0 HD21 LEU A 48 8.453 11.792 -0.347 1.00 0.00 H new ATOM 0 HD22 LEU A 48 7.521 10.366 -0.862 1.00 0.00 H new ATOM 0 HD23 LEU A 48 7.984 10.558 0.846 1.00 0.00 H new ATOM 776 N ALA A 49 11.428 8.189 1.797 1.00 0.00 N ATOM 777 CA ALA A 49 12.439 8.644 2.794 1.00 0.00 C ATOM 778 C ALA A 49 11.919 8.394 4.213 1.00 0.00 C ATOM 779 O ALA A 49 12.484 7.623 4.963 1.00 0.00 O ATOM 780 CB ALA A 49 12.701 10.139 2.605 1.00 0.00 C ATOM 0 H ALA A 49 10.522 7.925 2.184 1.00 0.00 H new ATOM 0 HA ALA A 49 13.365 8.087 2.647 1.00 0.00 H new ATOM 0 HB1 ALA A 49 13.440 10.474 3.333 1.00 0.00 H new ATOM 0 HB2 ALA A 49 13.077 10.318 1.598 1.00 0.00 H new ATOM 0 HB3 ALA A 49 11.773 10.692 2.749 1.00 0.00 H new ATOM 786 N ASP A 50 10.852 9.045 4.591 1.00 0.00 N ATOM 787 CA ASP A 50 10.307 8.848 5.966 1.00 0.00 C ATOM 788 C ASP A 50 9.471 7.567 6.017 1.00 0.00 C ATOM 789 O ASP A 50 9.609 6.764 6.918 1.00 0.00 O ATOM 790 CB ASP A 50 9.428 10.045 6.339 1.00 0.00 C ATOM 791 CG ASP A 50 8.444 10.330 5.203 1.00 0.00 C ATOM 792 OD1 ASP A 50 8.888 10.417 4.070 1.00 0.00 O ATOM 793 OD2 ASP A 50 7.264 10.455 5.486 1.00 0.00 O ATOM 0 H ASP A 50 10.335 9.704 4.009 1.00 0.00 H new ATOM 0 HA ASP A 50 11.134 8.764 6.672 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.885 9.837 7.261 1.00 0.00 H new ATOM 0 HB3 ASP A 50 10.049 10.921 6.525 1.00 0.00 H new ATOM 798 N ALA A 51 8.605 7.369 5.061 1.00 0.00 N ATOM 799 CA ALA A 51 7.764 6.138 5.063 1.00 0.00 C ATOM 800 C ALA A 51 6.908 6.100 3.797 1.00 0.00 C ATOM 801 O ALA A 51 6.567 5.046 3.299 1.00 0.00 O ATOM 802 CB ALA A 51 6.850 6.141 6.291 1.00 0.00 C ATOM 0 H ALA A 51 8.443 8.005 4.280 1.00 0.00 H new ATOM 0 HA ALA A 51 8.411 5.262 5.093 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.236 5.240 6.290 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.457 6.166 7.196 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.205 7.019 6.262 1.00 0.00 H new ATOM 808 N ARG A 52 6.553 7.239 3.271 1.00 0.00 N ATOM 809 CA ARG A 52 5.716 7.260 2.039 1.00 0.00 C ATOM 810 C ARG A 52 6.330 6.331 0.991 1.00 0.00 C ATOM 811 O ARG A 52 7.431 5.842 1.149 1.00 0.00 O ATOM 812 CB ARG A 52 5.656 8.685 1.487 1.00 0.00 C ATOM 813 CG ARG A 52 5.161 9.637 2.577 1.00 0.00 C ATOM 814 CD ARG A 52 4.963 11.034 1.985 1.00 0.00 C ATOM 815 NE ARG A 52 4.780 12.018 3.088 1.00 0.00 N ATOM 816 CZ ARG A 52 4.577 13.278 2.811 1.00 0.00 C ATOM 817 NH1 ARG A 52 4.536 13.674 1.568 1.00 0.00 N ATOM 818 NH2 ARG A 52 4.416 14.140 3.777 1.00 0.00 N ATOM 0 H ARG A 52 6.806 8.155 3.640 1.00 0.00 H new ATOM 0 HA ARG A 52 4.708 6.922 2.278 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.643 8.994 1.141 1.00 0.00 H new ATOM 0 HB3 ARG A 52 4.989 8.724 0.625 1.00 0.00 H new ATOM 0 HG2 ARG A 52 4.223 9.272 2.995 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.881 9.676 3.395 1.00 0.00 H new ATOM 0 HD2 ARG A 52 5.825 11.309 1.377 1.00 0.00 H new ATOM 0 HD3 ARG A 52 4.094 11.042 1.328 1.00 0.00 H new ATOM 0 HE ARG A 52 4.813 11.708 4.059 1.00 0.00 H new ATOM 0 HH11 ARG A 52 4.662 12.999 0.813 1.00 0.00 H new ATOM 0 HH12 ARG A 52 4.377 14.658 1.351 1.00 0.00 H new ATOM 0 HH21 ARG A 52 4.449 13.830 4.748 1.00 0.00 H new ATOM 0 HH22 ARG A 52 4.257 15.124 3.561 1.00 0.00 H new ATOM 832 N TYR A 53 5.627 6.084 -0.081 1.00 0.00 N ATOM 833 CA TYR A 53 6.163 5.185 -1.148 1.00 0.00 C ATOM 834 C TYR A 53 5.690 5.691 -2.515 1.00 0.00 C ATOM 835 O TYR A 53 4.618 6.252 -2.642 1.00 0.00 O ATOM 836 CB TYR A 53 5.644 3.757 -0.921 1.00 0.00 C ATOM 837 CG TYR A 53 6.451 3.077 0.160 1.00 0.00 C ATOM 838 CD1 TYR A 53 6.072 3.201 1.501 1.00 0.00 C ATOM 839 CD2 TYR A 53 7.577 2.317 -0.181 1.00 0.00 C ATOM 840 CE1 TYR A 53 6.819 2.566 2.502 1.00 0.00 C ATOM 841 CE2 TYR A 53 8.324 1.683 0.820 1.00 0.00 C ATOM 842 CZ TYR A 53 7.945 1.808 2.161 1.00 0.00 C ATOM 843 OH TYR A 53 8.679 1.184 3.148 1.00 0.00 O ATOM 0 H TYR A 53 4.700 6.467 -0.266 1.00 0.00 H new ATOM 0 HA TYR A 53 7.252 5.183 -1.115 1.00 0.00 H new ATOM 0 HB2 TYR A 53 4.592 3.785 -0.637 1.00 0.00 H new ATOM 0 HB3 TYR A 53 5.709 3.187 -1.847 1.00 0.00 H new ATOM 0 HD1 TYR A 53 5.203 3.786 1.765 1.00 0.00 H new ATOM 0 HD2 TYR A 53 7.869 2.220 -1.216 1.00 0.00 H new ATOM 0 HE1 TYR A 53 6.526 2.662 3.537 1.00 0.00 H new ATOM 0 HE2 TYR A 53 9.193 1.098 0.557 1.00 0.00 H new ATOM 0 HH TYR A 53 9.427 0.698 2.742 1.00 0.00 H new ATOM 853 N CYS A 54 6.487 5.491 -3.536 1.00 0.00 N ATOM 854 CA CYS A 54 6.110 5.948 -4.913 1.00 0.00 C ATOM 855 C CYS A 54 5.959 4.723 -5.819 1.00 0.00 C ATOM 856 O CYS A 54 6.865 3.924 -5.950 1.00 0.00 O ATOM 857 CB CYS A 54 7.215 6.869 -5.457 1.00 0.00 C ATOM 858 SG CYS A 54 7.939 7.811 -4.091 1.00 0.00 S ATOM 0 H CYS A 54 7.393 5.026 -3.475 1.00 0.00 H new ATOM 0 HA CYS A 54 5.168 6.495 -4.884 1.00 0.00 H new ATOM 0 HB2 CYS A 54 7.984 6.278 -5.954 1.00 0.00 H new ATOM 0 HB3 CYS A 54 6.803 7.548 -6.203 1.00 0.00 H new ATOM 0 HG CYS A 54 8.875 8.589 -4.548 1.00 0.00 H new ATOM 864 N LEU A 55 4.822 4.561 -6.446 1.00 0.00 N ATOM 865 CA LEU A 55 4.626 3.377 -7.339 1.00 0.00 C ATOM 866 C LEU A 55 5.053 3.730 -8.766 1.00 0.00 C ATOM 867 O LEU A 55 4.924 4.856 -9.200 1.00 0.00 O ATOM 868 CB LEU A 55 3.145 2.964 -7.327 1.00 0.00 C ATOM 869 CG LEU A 55 2.241 4.164 -7.727 1.00 0.00 C ATOM 870 CD1 LEU A 55 1.857 4.082 -9.210 1.00 0.00 C ATOM 871 CD2 LEU A 55 0.955 4.156 -6.888 1.00 0.00 C ATOM 0 H LEU A 55 4.024 5.193 -6.380 1.00 0.00 H new ATOM 0 HA LEU A 55 5.235 2.548 -6.979 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.987 2.136 -8.018 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.869 2.608 -6.334 1.00 0.00 H new ATOM 0 HG LEU A 55 2.801 5.082 -7.547 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.224 4.931 -9.470 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.759 4.102 -9.821 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.314 3.155 -9.395 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.328 5.000 -7.175 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.413 3.226 -7.061 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.210 4.236 -5.831 1.00 0.00 H new ATOM 883 N ASN A 56 5.559 2.770 -9.494 1.00 0.00 N ATOM 884 CA ASN A 56 5.998 3.027 -10.898 1.00 0.00 C ATOM 885 C ASN A 56 7.149 4.040 -10.911 1.00 0.00 C ATOM 886 O ASN A 56 7.410 4.681 -11.909 1.00 0.00 O ATOM 887 CB ASN A 56 4.820 3.571 -11.718 1.00 0.00 C ATOM 888 CG ASN A 56 5.112 3.407 -13.213 1.00 0.00 C ATOM 889 OD1 ASN A 56 6.009 2.681 -13.592 1.00 0.00 O ATOM 890 ND2 ASN A 56 4.387 4.057 -14.082 1.00 0.00 N ATOM 0 H ASN A 56 5.688 1.810 -9.173 1.00 0.00 H new ATOM 0 HA ASN A 56 6.343 2.092 -11.339 1.00 0.00 H new ATOM 0 HB2 ASN A 56 3.905 3.039 -11.456 1.00 0.00 H new ATOM 0 HB3 ASN A 56 4.656 4.623 -11.483 1.00 0.00 H new ATOM 0 HD21 ASN A 56 4.574 3.955 -15.080 1.00 0.00 H new ATOM 0 HD22 ASN A 56 3.634 4.667 -13.764 1.00 0.00 H new ATOM 897 N ASN A 57 7.845 4.180 -9.816 1.00 0.00 N ATOM 898 CA ASN A 57 8.985 5.140 -9.773 1.00 0.00 C ATOM 899 C ASN A 57 8.536 6.514 -10.280 1.00 0.00 C ATOM 900 O ASN A 57 9.244 7.173 -11.015 1.00 0.00 O ATOM 901 CB ASN A 57 10.121 4.621 -10.658 1.00 0.00 C ATOM 902 CG ASN A 57 10.708 3.349 -10.042 1.00 0.00 C ATOM 903 OD1 ASN A 57 10.095 2.302 -10.083 1.00 0.00 O ATOM 904 ND2 ASN A 57 11.879 3.398 -9.467 1.00 0.00 N ATOM 0 H ASN A 57 7.674 3.671 -8.949 1.00 0.00 H new ATOM 0 HA ASN A 57 9.331 5.234 -8.744 1.00 0.00 H new ATOM 0 HB2 ASN A 57 9.749 4.414 -11.661 1.00 0.00 H new ATOM 0 HB3 ASN A 57 10.896 5.381 -10.756 1.00 0.00 H new ATOM 0 HD21 ASN A 57 12.279 2.556 -9.052 1.00 0.00 H new ATOM 0 HD22 ASN A 57 12.394 4.278 -9.433 1.00 0.00 H new ATOM 911 N ASN A 58 7.365 6.951 -9.887 1.00 0.00 N ATOM 912 CA ASN A 58 6.852 8.286 -10.332 1.00 0.00 C ATOM 913 C ASN A 58 6.347 9.059 -9.102 1.00 0.00 C ATOM 914 O ASN A 58 5.206 8.915 -8.710 1.00 0.00 O ATOM 915 CB ASN A 58 5.692 8.076 -11.308 1.00 0.00 C ATOM 916 CG ASN A 58 6.107 7.071 -12.385 1.00 0.00 C ATOM 917 OD1 ASN A 58 5.277 6.380 -12.939 1.00 0.00 O ATOM 918 ND2 ASN A 58 7.366 6.964 -12.709 1.00 0.00 N ATOM 0 H ASN A 58 6.736 6.436 -9.271 1.00 0.00 H new ATOM 0 HA ASN A 58 7.647 8.848 -10.823 1.00 0.00 H new ATOM 0 HB2 ASN A 58 4.815 7.711 -10.774 1.00 0.00 H new ATOM 0 HB3 ASN A 58 5.414 9.024 -11.768 1.00 0.00 H new ATOM 0 HD21 ASN A 58 7.653 6.300 -13.428 1.00 0.00 H new ATOM 0 HD22 ASN A 58 8.064 7.545 -12.244 1.00 0.00 H new ATOM 925 N PRO A 59 7.187 9.863 -8.481 1.00 0.00 N ATOM 926 CA PRO A 59 6.803 10.648 -7.267 1.00 0.00 C ATOM 927 C PRO A 59 5.443 11.345 -7.410 1.00 0.00 C ATOM 928 O PRO A 59 4.928 11.915 -6.469 1.00 0.00 O ATOM 929 CB PRO A 59 7.933 11.674 -7.136 1.00 0.00 C ATOM 930 CG PRO A 59 9.126 10.988 -7.716 1.00 0.00 C ATOM 931 CD PRO A 59 8.594 10.115 -8.857 1.00 0.00 C ATOM 0 HA PRO A 59 6.687 10.008 -6.392 1.00 0.00 H new ATOM 0 HB2 PRO A 59 7.701 12.592 -7.676 1.00 0.00 H new ATOM 0 HB3 PRO A 59 8.100 11.950 -6.095 1.00 0.00 H new ATOM 0 HG2 PRO A 59 9.853 11.712 -8.084 1.00 0.00 H new ATOM 0 HG3 PRO A 59 9.632 10.383 -6.964 1.00 0.00 H new ATOM 0 HD2 PRO A 59 8.666 10.625 -9.818 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.157 9.186 -8.946 1.00 0.00 H new ATOM 939 N THR A 60 4.853 11.295 -8.572 1.00 0.00 N ATOM 940 CA THR A 60 3.525 11.945 -8.758 1.00 0.00 C ATOM 941 C THR A 60 2.440 11.028 -8.188 1.00 0.00 C ATOM 942 O THR A 60 1.528 11.469 -7.518 1.00 0.00 O ATOM 943 CB THR A 60 3.272 12.176 -10.253 1.00 0.00 C ATOM 944 OG1 THR A 60 1.873 12.163 -10.500 1.00 0.00 O ATOM 945 CG2 THR A 60 3.945 11.067 -11.064 1.00 0.00 C ATOM 0 H THR A 60 5.232 10.833 -9.399 1.00 0.00 H new ATOM 0 HA THR A 60 3.506 12.904 -8.240 1.00 0.00 H new ATOM 0 HB THR A 60 3.686 13.140 -10.548 1.00 0.00 H new ATOM 0 HG1 THR A 60 1.708 12.312 -11.454 1.00 0.00 H new ATOM 0 HG21 THR A 60 3.764 11.232 -12.126 1.00 0.00 H new ATOM 0 HG22 THR A 60 5.018 11.076 -10.873 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.533 10.101 -10.772 1.00 0.00 H new ATOM 953 N GLN A 61 2.540 9.749 -8.446 1.00 0.00 N ATOM 954 CA GLN A 61 1.527 8.786 -7.919 1.00 0.00 C ATOM 955 C GLN A 61 2.006 8.236 -6.575 1.00 0.00 C ATOM 956 O GLN A 61 2.241 7.055 -6.430 1.00 0.00 O ATOM 957 CB GLN A 61 1.354 7.625 -8.908 1.00 0.00 C ATOM 958 CG GLN A 61 1.295 8.161 -10.343 1.00 0.00 C ATOM 959 CD GLN A 61 0.608 7.137 -11.252 1.00 0.00 C ATOM 960 OE1 GLN A 61 1.158 6.738 -12.261 1.00 0.00 O ATOM 961 NE2 GLN A 61 -0.577 6.692 -10.937 1.00 0.00 N ATOM 0 H GLN A 61 3.284 9.328 -9.002 1.00 0.00 H new ATOM 0 HA GLN A 61 0.573 9.298 -7.791 1.00 0.00 H new ATOM 0 HB2 GLN A 61 2.183 6.924 -8.807 1.00 0.00 H new ATOM 0 HB3 GLN A 61 0.441 7.075 -8.679 1.00 0.00 H new ATOM 0 HG2 GLN A 61 0.750 9.105 -10.366 1.00 0.00 H new ATOM 0 HG3 GLN A 61 2.302 8.365 -10.706 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -1.039 7.026 -10.091 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -1.042 6.010 -11.537 1.00 0.00 H new ATOM 970 N THR A 62 2.168 9.080 -5.591 1.00 0.00 N ATOM 971 CA THR A 62 2.648 8.596 -4.260 1.00 0.00 C ATOM 972 C THR A 62 1.457 8.378 -3.331 1.00 0.00 C ATOM 973 O THR A 62 0.341 8.754 -3.634 1.00 0.00 O ATOM 974 CB THR A 62 3.578 9.645 -3.647 1.00 0.00 C ATOM 975 OG1 THR A 62 2.923 10.905 -3.631 1.00 0.00 O ATOM 976 CG2 THR A 62 4.857 9.744 -4.478 1.00 0.00 C ATOM 0 H THR A 62 1.989 10.083 -5.649 1.00 0.00 H new ATOM 0 HA THR A 62 3.184 7.656 -4.389 1.00 0.00 H new ATOM 0 HB THR A 62 3.832 9.354 -2.628 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.517 11.578 -3.237 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.518 10.492 -4.040 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.360 8.777 -4.489 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.606 10.034 -5.498 1.00 0.00 H new ATOM 984 N LEU A 63 1.684 7.762 -2.204 1.00 0.00 N ATOM 985 CA LEU A 63 0.568 7.503 -1.248 1.00 0.00 C ATOM 986 C LEU A 63 1.120 7.468 0.179 1.00 0.00 C ATOM 987 O LEU A 63 2.316 7.454 0.388 1.00 0.00 O ATOM 988 CB LEU A 63 -0.104 6.166 -1.601 1.00 0.00 C ATOM 989 CG LEU A 63 0.786 4.978 -1.211 1.00 0.00 C ATOM 990 CD1 LEU A 63 0.139 3.687 -1.715 1.00 0.00 C ATOM 991 CD2 LEU A 63 2.173 5.131 -1.845 1.00 0.00 C ATOM 0 H LEU A 63 2.598 7.425 -1.902 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.175 8.298 -1.317 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.062 6.090 -1.087 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.313 6.132 -2.670 1.00 0.00 H new ATOM 0 HG LEU A 63 0.893 4.946 -0.127 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.764 2.836 -1.443 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.846 3.573 -1.263 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.037 3.730 -2.799 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.798 4.283 -1.563 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.075 5.164 -2.930 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.634 6.054 -1.494 1.00 0.00 H new ATOM 1003 N LYS A 64 0.251 7.463 1.164 1.00 0.00 N ATOM 1004 CA LYS A 64 0.708 7.440 2.592 1.00 0.00 C ATOM 1005 C LYS A 64 0.178 6.187 3.290 1.00 0.00 C ATOM 1006 O LYS A 64 -0.970 5.819 3.141 1.00 0.00 O ATOM 1007 CB LYS A 64 0.172 8.680 3.312 1.00 0.00 C ATOM 1008 CG LYS A 64 0.863 9.930 2.762 1.00 0.00 C ATOM 1009 CD LYS A 64 0.522 11.133 3.643 1.00 0.00 C ATOM 1010 CE LYS A 64 0.923 12.422 2.926 1.00 0.00 C ATOM 1011 NZ LYS A 64 0.532 13.595 3.756 1.00 0.00 N ATOM 0 H LYS A 64 -0.761 7.474 1.039 1.00 0.00 H new ATOM 0 HA LYS A 64 1.798 7.434 2.620 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.906 8.757 3.172 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.349 8.596 4.384 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.942 9.780 2.736 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.542 10.114 1.737 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -0.545 11.144 3.864 1.00 0.00 H new ATOM 0 HD3 LYS A 64 1.044 11.058 4.597 1.00 0.00 H new ATOM 0 HE2 LYS A 64 1.998 12.432 2.747 1.00 0.00 H new ATOM 0 HE3 LYS A 64 0.437 12.475 1.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 0.805 14.472 3.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.497 13.587 3.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 1.015 13.546 4.676 1.00 0.00 H new ATOM 1025 N ILE A 65 1.009 5.533 4.058 1.00 0.00 N ATOM 1026 CA ILE A 65 0.560 4.307 4.776 1.00 0.00 C ATOM 1027 C ILE A 65 -0.109 4.710 6.089 1.00 0.00 C ATOM 1028 O ILE A 65 0.353 5.589 6.788 1.00 0.00 O ATOM 1029 CB ILE A 65 1.766 3.413 5.081 1.00 0.00 C ATOM 1030 CG1 ILE A 65 2.766 4.175 5.956 1.00 0.00 C ATOM 1031 CG2 ILE A 65 2.441 3.002 3.773 1.00 0.00 C ATOM 1032 CD1 ILE A 65 4.048 3.350 6.117 1.00 0.00 C ATOM 0 H ILE A 65 1.981 5.797 4.218 1.00 0.00 H new ATOM 0 HA ILE A 65 -0.146 3.761 4.150 1.00 0.00 H new ATOM 0 HB ILE A 65 1.429 2.522 5.612 1.00 0.00 H new ATOM 0 HG12 ILE A 65 2.998 5.140 5.504 1.00 0.00 H new ATOM 0 HG13 ILE A 65 2.328 4.378 6.933 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.299 2.366 3.991 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.731 2.454 3.154 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.775 3.892 3.241 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.756 3.896 6.740 1.00 0.00 H new ATOM 0 HD12 ILE A 65 3.810 2.396 6.588 1.00 0.00 H new ATOM 0 HD13 ILE A 65 4.490 3.170 5.137 1.00 0.00 H new ATOM 1044 N ARG A 66 -1.193 4.070 6.436 1.00 0.00 N ATOM 1045 CA ARG A 66 -1.886 4.407 7.713 1.00 0.00 C ATOM 1046 C ARG A 66 -1.403 3.447 8.801 1.00 0.00 C ATOM 1047 O ARG A 66 -1.371 3.784 9.968 1.00 0.00 O ATOM 1048 CB ARG A 66 -3.399 4.260 7.530 1.00 0.00 C ATOM 1049 CG ARG A 66 -4.124 4.935 8.696 1.00 0.00 C ATOM 1050 CD ARG A 66 -5.622 4.641 8.606 1.00 0.00 C ATOM 1051 NE ARG A 66 -6.312 5.197 9.804 1.00 0.00 N ATOM 1052 CZ ARG A 66 -7.508 4.783 10.120 1.00 0.00 C ATOM 1053 NH1 ARG A 66 -8.100 3.880 9.385 1.00 0.00 N ATOM 1054 NH2 ARG A 66 -8.113 5.270 11.168 1.00 0.00 N ATOM 0 H ARG A 66 -1.629 3.327 5.890 1.00 0.00 H new ATOM 0 HA ARG A 66 -1.661 5.435 7.999 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -3.707 4.711 6.587 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -3.669 3.205 7.482 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -3.728 4.571 9.644 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -3.952 6.011 8.671 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -6.036 5.081 7.699 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.789 3.566 8.544 1.00 0.00 H new ATOM 0 HE ARG A 66 -5.849 5.902 10.377 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.627 3.500 8.565 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -9.035 3.555 9.631 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -7.651 5.976 11.742 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -9.048 4.945 11.414 1.00 0.00 H new ATOM 1068 N ASN A 67 -1.019 2.253 8.426 1.00 0.00 N ATOM 1069 CA ASN A 67 -0.531 1.274 9.439 1.00 0.00 C ATOM 1070 C ASN A 67 0.003 0.016 8.743 1.00 0.00 C ATOM 1071 O ASN A 67 -0.753 -0.834 8.313 1.00 0.00 O ATOM 1072 CB ASN A 67 -1.685 0.879 10.366 1.00 0.00 C ATOM 1073 CG ASN A 67 -1.207 -0.192 11.347 1.00 0.00 C ATOM 1074 OD1 ASN A 67 -1.551 -1.436 11.155 1.00 0.00 O flip ATOM 1075 ND2 ASN A 67 -0.513 0.105 12.300 1.00 0.00 N flip ATOM 0 H ASN A 67 -1.023 1.916 7.463 1.00 0.00 H new ATOM 0 HA ASN A 67 0.270 1.735 10.017 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -2.043 1.752 10.911 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -2.524 0.503 9.780 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -0.243 1.077 12.451 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -0.200 -0.618 12.948 1.00 0.00 H new ATOM 1082 N ALA A 68 1.303 -0.116 8.639 1.00 0.00 N ATOM 1083 CA ALA A 68 1.880 -1.329 7.990 1.00 0.00 C ATOM 1084 C ALA A 68 1.913 -2.475 9.005 1.00 0.00 C ATOM 1085 O ALA A 68 2.003 -2.256 10.196 1.00 0.00 O ATOM 1086 CB ALA A 68 3.303 -1.040 7.515 1.00 0.00 C ATOM 0 H ALA A 68 1.986 0.563 8.975 1.00 0.00 H new ATOM 0 HA ALA A 68 1.264 -1.605 7.134 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.717 -1.931 7.042 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.287 -0.222 6.795 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.922 -0.761 8.368 1.00 0.00 H new ATOM 1092 N THR A 69 1.843 -3.699 8.545 1.00 0.00 N ATOM 1093 CA THR A 69 1.873 -4.863 9.485 1.00 0.00 C ATOM 1094 C THR A 69 2.654 -6.011 8.842 1.00 0.00 C ATOM 1095 O THR A 69 2.615 -6.209 7.644 1.00 0.00 O ATOM 1096 CB THR A 69 0.442 -5.320 9.782 1.00 0.00 C ATOM 1097 OG1 THR A 69 -0.270 -5.468 8.562 1.00 0.00 O ATOM 1098 CG2 THR A 69 -0.256 -4.279 10.660 1.00 0.00 C ATOM 0 H THR A 69 1.766 -3.943 7.558 1.00 0.00 H new ATOM 0 HA THR A 69 2.357 -4.568 10.416 1.00 0.00 H new ATOM 0 HB THR A 69 0.467 -6.276 10.306 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.309 -4.605 8.099 1.00 0.00 H new ATOM 0 HG21 THR A 69 -1.275 -4.605 10.871 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.291 -4.167 11.596 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.282 -3.322 10.139 1.00 0.00 H new ATOM 1106 N HIS A 70 3.373 -6.765 9.629 1.00 0.00 N ATOM 1107 CA HIS A 70 4.167 -7.894 9.065 1.00 0.00 C ATOM 1108 C HIS A 70 3.242 -9.065 8.724 1.00 0.00 C ATOM 1109 O HIS A 70 3.515 -10.200 9.064 1.00 0.00 O ATOM 1110 CB HIS A 70 5.204 -8.350 10.092 1.00 0.00 C ATOM 1111 CG HIS A 70 6.178 -7.234 10.351 1.00 0.00 C ATOM 1112 ND1 HIS A 70 7.532 -7.352 10.064 1.00 0.00 N ATOM 1113 CD2 HIS A 70 6.014 -5.974 10.871 1.00 0.00 C ATOM 1114 CE1 HIS A 70 8.122 -6.193 10.410 1.00 0.00 C ATOM 1115 NE2 HIS A 70 7.242 -5.323 10.906 1.00 0.00 N ATOM 0 H HIS A 70 3.445 -6.648 10.640 1.00 0.00 H new ATOM 0 HA HIS A 70 4.670 -7.558 8.158 1.00 0.00 H new ATOM 0 HB2 HIS A 70 4.710 -8.638 11.020 1.00 0.00 H new ATOM 0 HB3 HIS A 70 5.732 -9.230 9.725 1.00 0.00 H new ATOM 0 HD2 HIS A 70 5.076 -5.553 11.202 1.00 0.00 H new ATOM 0 HE1 HIS A 70 9.177 -5.993 10.300 1.00 0.00 H new ATOM 0 HE2 HIS A 70 7.430 -4.378 11.241 1.00 0.00 H new ATOM 1124 N TYR A 71 2.154 -8.807 8.054 1.00 0.00 N ATOM 1125 CA TYR A 71 1.224 -9.915 7.692 1.00 0.00 C ATOM 1126 C TYR A 71 0.914 -10.745 8.941 1.00 0.00 C ATOM 1127 O TYR A 71 1.196 -11.925 8.999 1.00 0.00 O ATOM 1128 CB TYR A 71 1.882 -10.800 6.627 1.00 0.00 C ATOM 1129 CG TYR A 71 1.033 -12.028 6.379 1.00 0.00 C ATOM 1130 CD1 TYR A 71 -0.203 -11.901 5.733 1.00 0.00 C ATOM 1131 CD2 TYR A 71 1.479 -13.290 6.791 1.00 0.00 C ATOM 1132 CE1 TYR A 71 -0.991 -13.036 5.499 1.00 0.00 C ATOM 1133 CE2 TYR A 71 0.691 -14.424 6.556 1.00 0.00 C ATOM 1134 CZ TYR A 71 -0.544 -14.296 5.911 1.00 0.00 C ATOM 1135 OH TYR A 71 -1.320 -15.413 5.680 1.00 0.00 O ATOM 0 H TYR A 71 1.868 -7.879 7.741 1.00 0.00 H new ATOM 0 HA TYR A 71 0.296 -9.504 7.295 1.00 0.00 H new ATOM 0 HB2 TYR A 71 2.004 -10.239 5.701 1.00 0.00 H new ATOM 0 HB3 TYR A 71 2.879 -11.097 6.954 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -0.549 -10.928 5.415 1.00 0.00 H new ATOM 0 HD2 TYR A 71 2.431 -13.389 7.290 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -1.944 -12.938 5.000 1.00 0.00 H new ATOM 0 HE2 TYR A 71 1.037 -15.397 6.873 1.00 0.00 H new ATOM 0 HH TYR A 71 -0.862 -16.207 6.028 1.00 0.00 H new ATOM 1145 N SER A 72 0.334 -10.138 9.939 1.00 0.00 N ATOM 1146 CA SER A 72 0.005 -10.894 11.181 1.00 0.00 C ATOM 1147 C SER A 72 -1.297 -11.669 10.969 1.00 0.00 C ATOM 1148 O SER A 72 -2.097 -11.337 10.116 1.00 0.00 O ATOM 1149 CB SER A 72 -0.160 -9.915 12.344 1.00 0.00 C ATOM 1150 OG SER A 72 1.123 -9.480 12.777 1.00 0.00 O ATOM 0 H SER A 72 0.074 -9.152 9.949 1.00 0.00 H new ATOM 0 HA SER A 72 0.810 -11.592 11.411 1.00 0.00 H new ATOM 0 HB2 SER A 72 -0.761 -9.060 12.033 1.00 0.00 H new ATOM 0 HB3 SER A 72 -0.691 -10.395 13.166 1.00 0.00 H new ATOM 0 HG SER A 72 1.021 -8.851 13.521 1.00 0.00 H new ATOM 1156 N SER A 73 -1.518 -12.700 11.736 1.00 0.00 N ATOM 1157 CA SER A 73 -2.768 -13.495 11.575 1.00 0.00 C ATOM 1158 C SER A 73 -3.971 -12.656 12.013 1.00 0.00 C ATOM 1159 O SER A 73 -4.997 -12.639 11.362 1.00 0.00 O ATOM 1160 CB SER A 73 -2.685 -14.755 12.438 1.00 0.00 C ATOM 1161 OG SER A 73 -2.535 -14.381 13.801 1.00 0.00 O ATOM 0 H SER A 73 -0.887 -13.027 12.468 1.00 0.00 H new ATOM 0 HA SER A 73 -2.885 -13.777 10.529 1.00 0.00 H new ATOM 0 HB2 SER A 73 -3.585 -15.357 12.311 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.843 -15.371 12.123 1.00 0.00 H new ATOM 0 HG SER A 73 -2.483 -15.186 14.357 1.00 0.00 H new ATOM 1167 N GLU A 74 -3.855 -11.962 13.111 1.00 0.00 N ATOM 1168 CA GLU A 74 -4.994 -11.128 13.590 1.00 0.00 C ATOM 1169 C GLU A 74 -5.359 -10.092 12.525 1.00 0.00 C ATOM 1170 O GLU A 74 -6.519 -9.845 12.256 1.00 0.00 O ATOM 1171 CB GLU A 74 -4.590 -10.411 14.878 1.00 0.00 C ATOM 1172 CG GLU A 74 -5.835 -9.829 15.551 1.00 0.00 C ATOM 1173 CD GLU A 74 -5.448 -9.208 16.893 1.00 0.00 C ATOM 1174 OE1 GLU A 74 -4.623 -9.789 17.578 1.00 0.00 O ATOM 1175 OE2 GLU A 74 -5.985 -8.160 17.215 1.00 0.00 O ATOM 0 H GLU A 74 -3.021 -11.936 13.698 1.00 0.00 H new ATOM 0 HA GLU A 74 -5.855 -11.768 13.781 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -4.091 -11.107 15.553 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -3.878 -9.616 14.656 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -6.290 -9.076 14.908 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -6.579 -10.611 15.702 1.00 0.00 H new ATOM 1182 N ARG A 75 -4.380 -9.476 11.920 1.00 0.00 N ATOM 1183 CA ARG A 75 -4.671 -8.450 10.878 1.00 0.00 C ATOM 1184 C ARG A 75 -5.272 -9.120 9.640 1.00 0.00 C ATOM 1185 O ARG A 75 -6.282 -8.689 9.120 1.00 0.00 O ATOM 1186 CB ARG A 75 -3.370 -7.738 10.493 1.00 0.00 C ATOM 1187 CG ARG A 75 -2.723 -7.129 11.744 1.00 0.00 C ATOM 1188 CD ARG A 75 -3.539 -5.927 12.238 1.00 0.00 C ATOM 1189 NE ARG A 75 -2.683 -5.078 13.114 1.00 0.00 N ATOM 1190 CZ ARG A 75 -3.209 -4.079 13.769 1.00 0.00 C ATOM 1191 NH1 ARG A 75 -4.485 -3.825 13.657 1.00 0.00 N ATOM 1192 NH2 ARG A 75 -2.461 -3.337 14.538 1.00 0.00 N ATOM 0 H ARG A 75 -3.390 -9.639 12.103 1.00 0.00 H new ATOM 0 HA ARG A 75 -5.384 -7.726 11.273 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.684 -8.443 10.024 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.575 -6.957 9.761 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -2.659 -7.881 12.531 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -1.704 -6.816 11.518 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.901 -5.346 11.390 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -4.416 -6.269 12.788 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.687 -5.277 13.202 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -5.070 -4.407 13.058 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -4.896 -3.044 14.169 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -1.465 -3.537 14.628 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -2.872 -2.556 15.050 1.00 0.00 H new ATOM 1206 N TRP A 76 -4.660 -10.167 9.160 1.00 0.00 N ATOM 1207 CA TRP A 76 -5.197 -10.856 7.952 1.00 0.00 C ATOM 1208 C TRP A 76 -6.558 -11.480 8.277 1.00 0.00 C ATOM 1209 O TRP A 76 -7.421 -11.581 7.429 1.00 0.00 O ATOM 1210 CB TRP A 76 -4.211 -11.944 7.509 1.00 0.00 C ATOM 1211 CG TRP A 76 -4.828 -12.794 6.440 1.00 0.00 C ATOM 1212 CD1 TRP A 76 -5.084 -14.118 6.556 1.00 0.00 C ATOM 1213 CD2 TRP A 76 -5.266 -12.408 5.104 1.00 0.00 C ATOM 1214 NE1 TRP A 76 -5.652 -14.568 5.378 1.00 0.00 N ATOM 1215 CE2 TRP A 76 -5.785 -13.553 4.453 1.00 0.00 C ATOM 1216 CE3 TRP A 76 -5.266 -11.190 4.399 1.00 0.00 C ATOM 1217 CZ2 TRP A 76 -6.285 -13.492 3.152 1.00 0.00 C ATOM 1218 CZ3 TRP A 76 -5.768 -11.126 3.089 1.00 0.00 C ATOM 1219 CH2 TRP A 76 -6.276 -12.274 2.467 1.00 0.00 C ATOM 0 H TRP A 76 -3.811 -10.576 9.552 1.00 0.00 H new ATOM 0 HA TRP A 76 -5.323 -10.135 7.144 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -3.295 -11.486 7.136 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -3.933 -12.563 8.362 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -4.878 -14.724 7.426 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -5.938 -15.533 5.213 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -4.877 -10.298 4.869 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -6.676 -14.380 2.678 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -5.762 -10.186 2.558 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -6.660 -12.218 1.459 1.00 0.00 H new