USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 597 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 34 SER OG : rot -49:sc= 0.158 USER MOD Set 1.2: A 37 GLN : amide:sc= -1.04 K(o=-0.88,f=-1.4) USER MOD Set 2.1: A 23 GLN : amide:sc= 0.201 K(o=0.89,f=-0.049) USER MOD Set 2.2: A 55 GLN : amide:sc= 0.687 K(o=0.89,f=0.2) USER MOD Set 3.1: A 10 GLN : amide:sc= -2.28! C(o=-4.7!,f=-5!) USER MOD Set 3.2: A 11 GLN : amide:sc= -2.39! X(o=-4.7!,f=-5) USER MOD Set 4.1: A 2 HIS : no HD1:sc= 0 X(o=0,f=-0.053) USER MOD Set 4.2: A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -165:sc= 1.25 (180deg=1.16) USER MOD Single : A 5 HIS : no HD1:sc= -1.53 K(o=-1.5,f=-0.87) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 170:sc= -0.519 USER MOD Single : A 14 HIS : no HD1:sc= -2.32! K(o=-2.3!,f=-1.3) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot -163:sc= -0.0539 USER MOD Single : A 26 SER OG : rot 102:sc= 1.02 USER MOD Single : A 29 SER OG : rot -99:sc= 1.26 USER MOD Single : A 31 GLN : amide:sc= 0.325 K(o=0.32,f=-1.4) USER MOD Single : A 32 ASN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 40 GLN : amide:sc= -1.12 K(o=-1.1,f=-0.34) USER MOD Single : A 44 ASN : amide:sc=-0.00665 K(o=-0.0066,f=-1) USER MOD Single : A 45 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00132) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 5:sc= 0.796 USER MOD Single : A 53 SER OG : rot -153:sc= 1.08 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 159:sc= 1.17 (180deg=0.968) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0352) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl 149:sc= -2.92! (180deg=-5.46!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 161:sc= -0.141 (180deg=-0.572) USER MOD Single : A 70 SER OG : rot 75:sc= 0.905 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.470 -3.990 -2.893 1.00 0.00 N ATOM 2 CA GLY A 1 18.202 -2.753 -2.174 1.00 0.00 C ATOM 3 C GLY A 1 17.162 -2.947 -1.108 1.00 0.00 C ATOM 4 O GLY A 1 16.728 -4.067 -0.865 1.00 0.00 O ATOM 0 H1 GLY A 1 19.352 -3.892 -3.435 1.00 0.00 H new ATOM 0 H2 GLY A 1 18.565 -4.772 -2.214 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.684 -4.190 -3.544 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.124 -2.388 -1.721 1.00 0.00 H new ATOM 0 HA3 GLY A 1 17.867 -1.989 -2.876 1.00 0.00 H new ATOM 10 N HIS A 2 16.750 -1.862 -0.481 1.00 0.00 N ATOM 11 CA HIS A 2 15.754 -1.908 0.606 1.00 0.00 C ATOM 12 C HIS A 2 14.466 -1.215 0.172 1.00 0.00 C ATOM 13 O HIS A 2 13.536 -1.038 0.968 1.00 0.00 O ATOM 14 CB HIS A 2 16.313 -1.214 1.882 1.00 0.00 C ATOM 15 CG HIS A 2 16.588 0.267 1.708 1.00 0.00 C ATOM 16 ND1 HIS A 2 15.676 1.256 2.008 1.00 0.00 N ATOM 17 CD2 HIS A 2 17.668 0.901 1.202 1.00 0.00 C ATOM 18 CE1 HIS A 2 16.205 2.427 1.664 1.00 0.00 C ATOM 19 NE2 HIS A 2 17.420 2.270 1.173 1.00 0.00 N ATOM 0 H HIS A 2 17.085 -0.923 -0.698 1.00 0.00 H new ATOM 0 HA HIS A 2 15.541 -2.953 0.832 1.00 0.00 H new ATOM 0 HB2 HIS A 2 15.602 -1.348 2.697 1.00 0.00 H new ATOM 0 HB3 HIS A 2 17.236 -1.712 2.179 1.00 0.00 H new ATOM 0 HD2 HIS A 2 18.578 0.422 0.873 1.00 0.00 H new ATOM 0 HE1 HIS A 2 15.707 3.379 1.772 1.00 0.00 H new ATOM 0 HE2 HIS A 2 18.048 3.002 0.841 1.00 0.00 H new ATOM 27 N MET A 3 14.428 -0.812 -1.085 1.00 0.00 N ATOM 28 CA MET A 3 13.315 -0.075 -1.628 1.00 0.00 C ATOM 29 C MET A 3 12.094 -0.970 -1.815 1.00 0.00 C ATOM 30 O MET A 3 12.178 -2.178 -1.668 1.00 0.00 O ATOM 31 CB MET A 3 13.706 0.636 -2.924 1.00 0.00 C ATOM 32 CG MET A 3 14.890 1.605 -2.790 1.00 0.00 C ATOM 33 SD MET A 3 16.493 0.771 -2.599 1.00 0.00 S ATOM 34 CE MET A 3 17.585 2.194 -2.465 1.00 0.00 C ATOM 0 H MET A 3 15.175 -0.990 -1.756 1.00 0.00 H new ATOM 0 HA MET A 3 13.038 0.694 -0.907 1.00 0.00 H new ATOM 0 HB2 MET A 3 13.951 -0.115 -3.675 1.00 0.00 H new ATOM 0 HB3 MET A 3 12.842 1.188 -3.295 1.00 0.00 H new ATOM 0 HG2 MET A 3 14.926 2.246 -3.671 1.00 0.00 H new ATOM 0 HG3 MET A 3 14.722 2.254 -1.930 1.00 0.00 H new ATOM 0 HE1 MET A 3 18.613 1.853 -2.342 1.00 0.00 H new ATOM 0 HE2 MET A 3 17.508 2.798 -3.369 1.00 0.00 H new ATOM 0 HE3 MET A 3 17.296 2.794 -1.602 1.00 0.00 H new ATOM 44 N VAL A 4 10.988 -0.387 -2.204 1.00 0.00 N ATOM 45 CA VAL A 4 9.704 -1.096 -2.195 1.00 0.00 C ATOM 46 C VAL A 4 9.623 -2.206 -3.222 1.00 0.00 C ATOM 47 O VAL A 4 8.985 -3.215 -2.995 1.00 0.00 O ATOM 48 CB VAL A 4 8.521 -0.131 -2.342 1.00 0.00 C ATOM 49 CG1 VAL A 4 8.715 1.007 -1.404 1.00 0.00 C ATOM 50 CG2 VAL A 4 8.347 0.370 -3.753 1.00 0.00 C ATOM 0 H VAL A 4 10.936 0.577 -2.534 1.00 0.00 H new ATOM 0 HA VAL A 4 9.641 -1.572 -1.217 1.00 0.00 H new ATOM 0 HB VAL A 4 7.608 -0.675 -2.099 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.881 1.702 -1.498 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.762 0.632 -0.382 1.00 0.00 H new ATOM 0 HG13 VAL A 4 9.645 1.522 -1.644 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.495 1.049 -3.796 1.00 0.00 H new ATOM 0 HG22 VAL A 4 9.248 0.898 -4.065 1.00 0.00 H new ATOM 0 HG23 VAL A 4 8.172 -0.474 -4.420 1.00 0.00 H new ATOM 60 N HIS A 5 10.327 -2.044 -4.314 1.00 0.00 N ATOM 61 CA HIS A 5 10.349 -3.041 -5.382 1.00 0.00 C ATOM 62 C HIS A 5 11.153 -4.282 -4.959 1.00 0.00 C ATOM 63 O HIS A 5 11.193 -5.294 -5.663 1.00 0.00 O ATOM 64 CB HIS A 5 10.898 -2.430 -6.687 1.00 0.00 C ATOM 65 CG HIS A 5 12.184 -1.683 -6.538 1.00 0.00 C ATOM 66 ND1 HIS A 5 12.244 -0.336 -6.319 1.00 0.00 N ATOM 67 CD2 HIS A 5 13.461 -2.115 -6.543 1.00 0.00 C ATOM 68 CE1 HIS A 5 13.510 0.010 -6.190 1.00 0.00 C ATOM 69 NE2 HIS A 5 14.303 -1.033 -6.321 1.00 0.00 N ATOM 0 H HIS A 5 10.904 -1.223 -4.498 1.00 0.00 H new ATOM 0 HA HIS A 5 9.325 -3.363 -5.571 1.00 0.00 H new ATOM 0 HB2 HIS A 5 11.041 -3.230 -7.414 1.00 0.00 H new ATOM 0 HB3 HIS A 5 10.148 -1.755 -7.099 1.00 0.00 H new ATOM 0 HD2 HIS A 5 13.778 -3.136 -6.695 1.00 0.00 H new ATOM 0 HE1 HIS A 5 13.852 1.017 -6.002 1.00 0.00 H new ATOM 0 HE2 HIS A 5 15.322 -1.044 -6.270 1.00 0.00 H new ATOM 77 N GLU A 6 11.774 -4.178 -3.801 1.00 0.00 N ATOM 78 CA GLU A 6 12.563 -5.235 -3.209 1.00 0.00 C ATOM 79 C GLU A 6 11.746 -5.894 -2.085 1.00 0.00 C ATOM 80 O GLU A 6 12.160 -6.906 -1.494 1.00 0.00 O ATOM 81 CB GLU A 6 13.825 -4.620 -2.603 1.00 0.00 C ATOM 82 CG GLU A 6 14.642 -3.781 -3.576 1.00 0.00 C ATOM 83 CD GLU A 6 15.333 -4.602 -4.615 1.00 0.00 C ATOM 84 OE1 GLU A 6 14.744 -4.894 -5.652 1.00 0.00 O ATOM 85 OE2 GLU A 6 16.503 -4.959 -4.396 1.00 0.00 O ATOM 0 H GLU A 6 11.742 -3.332 -3.232 1.00 0.00 H new ATOM 0 HA GLU A 6 12.828 -5.976 -3.963 1.00 0.00 H new ATOM 0 HB2 GLU A 6 13.540 -3.997 -1.755 1.00 0.00 H new ATOM 0 HB3 GLU A 6 14.455 -5.420 -2.214 1.00 0.00 H new ATOM 0 HG2 GLU A 6 13.986 -3.061 -4.066 1.00 0.00 H new ATOM 0 HG3 GLU A 6 15.384 -3.209 -3.020 1.00 0.00 H new ATOM 92 N TRP A 7 10.594 -5.304 -1.783 1.00 0.00 N ATOM 93 CA TRP A 7 9.736 -5.785 -0.722 1.00 0.00 C ATOM 94 C TRP A 7 8.935 -6.943 -1.155 1.00 0.00 C ATOM 95 O TRP A 7 8.676 -7.149 -2.351 1.00 0.00 O ATOM 96 CB TRP A 7 8.771 -4.718 -0.198 1.00 0.00 C ATOM 97 CG TRP A 7 9.415 -3.579 0.504 1.00 0.00 C ATOM 98 CD1 TRP A 7 10.702 -3.494 0.932 1.00 0.00 C ATOM 99 CD2 TRP A 7 8.776 -2.379 0.905 1.00 0.00 C ATOM 100 NE1 TRP A 7 10.924 -2.280 1.511 1.00 0.00 N ATOM 101 CE2 TRP A 7 9.747 -1.578 1.522 1.00 0.00 C ATOM 102 CE3 TRP A 7 7.473 -1.898 0.782 1.00 0.00 C ATOM 103 CZ2 TRP A 7 9.459 -0.318 2.017 1.00 0.00 C ATOM 104 CZ3 TRP A 7 7.182 -0.650 1.276 1.00 0.00 C ATOM 105 CH2 TRP A 7 8.171 0.132 1.889 1.00 0.00 C ATOM 0 H TRP A 7 10.236 -4.482 -2.269 1.00 0.00 H new ATOM 0 HA TRP A 7 10.417 -6.070 0.080 1.00 0.00 H new ATOM 0 HB2 TRP A 7 8.194 -4.329 -1.037 1.00 0.00 H new ATOM 0 HB3 TRP A 7 8.064 -5.192 0.483 1.00 0.00 H new ATOM 0 HD1 TRP A 7 11.441 -4.275 0.829 1.00 0.00 H new ATOM 0 HE1 TRP A 7 11.817 -1.949 1.875 1.00 0.00 H new ATOM 0 HE3 TRP A 7 6.708 -2.495 0.308 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 10.220 0.287 2.486 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 6.176 -0.265 1.191 1.00 0.00 H new ATOM 0 HH2 TRP A 7 7.912 1.110 2.268 1.00 0.00 H new ATOM 116 N SER A 8 8.539 -7.684 -0.186 1.00 0.00 N ATOM 117 CA SER A 8 7.733 -8.778 -0.361 1.00 0.00 C ATOM 118 C SER A 8 6.367 -8.436 0.279 1.00 0.00 C ATOM 119 O SER A 8 5.877 -7.330 0.124 1.00 0.00 O ATOM 120 CB SER A 8 8.420 -9.947 0.323 1.00 0.00 C ATOM 121 OG SER A 8 9.794 -10.012 -0.043 1.00 0.00 O ATOM 0 H SER A 8 8.794 -7.514 0.787 1.00 0.00 H new ATOM 0 HA SER A 8 7.567 -9.041 -1.406 1.00 0.00 H new ATOM 0 HB2 SER A 8 8.332 -9.844 1.405 1.00 0.00 H new ATOM 0 HB3 SER A 8 7.922 -10.877 0.050 1.00 0.00 H new ATOM 0 HG SER A 8 10.218 -10.771 0.410 1.00 0.00 H new ATOM 127 N VAL A 9 5.865 -9.315 1.079 1.00 0.00 N ATOM 128 CA VAL A 9 4.512 -9.246 1.598 1.00 0.00 C ATOM 129 C VAL A 9 4.497 -8.589 2.967 1.00 0.00 C ATOM 130 O VAL A 9 3.810 -7.616 3.198 1.00 0.00 O ATOM 131 CB VAL A 9 3.941 -10.672 1.699 1.00 0.00 C ATOM 132 CG1 VAL A 9 2.524 -10.659 2.211 1.00 0.00 C ATOM 133 CG2 VAL A 9 4.018 -11.356 0.348 1.00 0.00 C ATOM 0 H VAL A 9 6.386 -10.128 1.407 1.00 0.00 H new ATOM 0 HA VAL A 9 3.901 -8.647 0.923 1.00 0.00 H new ATOM 0 HB VAL A 9 4.542 -11.233 2.414 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.149 -11.681 2.271 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.499 -10.205 3.202 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.897 -10.082 1.531 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.612 -12.365 0.427 1.00 0.00 H new ATOM 0 HG22 VAL A 9 3.439 -10.788 -0.381 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.058 -11.408 0.025 1.00 0.00 H new ATOM 143 N GLN A 10 5.315 -9.095 3.852 1.00 0.00 N ATOM 144 CA GLN A 10 5.399 -8.569 5.219 1.00 0.00 C ATOM 145 C GLN A 10 6.065 -7.207 5.206 1.00 0.00 C ATOM 146 O GLN A 10 5.898 -6.391 6.095 1.00 0.00 O ATOM 147 CB GLN A 10 6.164 -9.542 6.160 1.00 0.00 C ATOM 148 CG GLN A 10 7.651 -9.811 5.813 1.00 0.00 C ATOM 149 CD GLN A 10 7.864 -10.516 4.475 1.00 0.00 C ATOM 150 OE1 GLN A 10 7.017 -11.276 4.025 1.00 0.00 O ATOM 151 NE2 GLN A 10 8.961 -10.256 3.813 1.00 0.00 N ATOM 0 H GLN A 10 5.943 -9.876 3.664 1.00 0.00 H new ATOM 0 HA GLN A 10 4.386 -8.469 5.608 1.00 0.00 H new ATOM 0 HB2 GLN A 10 6.116 -9.145 7.174 1.00 0.00 H new ATOM 0 HB3 GLN A 10 5.637 -10.496 6.166 1.00 0.00 H new ATOM 0 HG2 GLN A 10 8.187 -8.862 5.800 1.00 0.00 H new ATOM 0 HG3 GLN A 10 8.093 -10.416 6.604 1.00 0.00 H new ATOM 0 HE21 GLN A 10 9.655 -9.620 4.205 1.00 0.00 H new ATOM 0 HE22 GLN A 10 9.123 -10.690 2.904 1.00 0.00 H new ATOM 160 N GLN A 11 6.765 -6.968 4.139 1.00 0.00 N ATOM 161 CA GLN A 11 7.519 -5.787 3.956 1.00 0.00 C ATOM 162 C GLN A 11 6.676 -4.664 3.378 1.00 0.00 C ATOM 163 O GLN A 11 6.992 -3.500 3.542 1.00 0.00 O ATOM 164 CB GLN A 11 8.696 -6.149 3.099 1.00 0.00 C ATOM 165 CG GLN A 11 9.655 -7.055 3.842 1.00 0.00 C ATOM 166 CD GLN A 11 10.783 -7.573 3.010 1.00 0.00 C ATOM 167 OE1 GLN A 11 11.279 -8.657 3.241 1.00 0.00 O ATOM 168 NE2 GLN A 11 11.204 -6.819 2.075 1.00 0.00 N ATOM 0 H GLN A 11 6.822 -7.616 3.353 1.00 0.00 H new ATOM 0 HA GLN A 11 7.872 -5.395 4.910 1.00 0.00 H new ATOM 0 HB2 GLN A 11 8.350 -6.646 2.193 1.00 0.00 H new ATOM 0 HB3 GLN A 11 9.215 -5.243 2.787 1.00 0.00 H new ATOM 0 HG2 GLN A 11 10.066 -6.510 4.692 1.00 0.00 H new ATOM 0 HG3 GLN A 11 9.098 -7.901 4.245 1.00 0.00 H new ATOM 0 HE21 GLN A 11 10.762 -5.915 1.911 1.00 0.00 H new ATOM 0 HE22 GLN A 11 11.984 -7.119 1.490 1.00 0.00 H new ATOM 177 N VAL A 12 5.557 -5.021 2.778 1.00 0.00 N ATOM 178 CA VAL A 12 4.669 -4.042 2.172 1.00 0.00 C ATOM 179 C VAL A 12 3.838 -3.364 3.280 1.00 0.00 C ATOM 180 O VAL A 12 3.354 -2.233 3.133 1.00 0.00 O ATOM 181 CB VAL A 12 3.725 -4.730 1.125 1.00 0.00 C ATOM 182 CG1 VAL A 12 2.469 -5.323 1.758 1.00 0.00 C ATOM 183 CG2 VAL A 12 3.377 -3.795 -0.007 1.00 0.00 C ATOM 0 H VAL A 12 5.238 -5.986 2.696 1.00 0.00 H new ATOM 0 HA VAL A 12 5.261 -3.291 1.649 1.00 0.00 H new ATOM 0 HB VAL A 12 4.289 -5.566 0.711 1.00 0.00 H new ATOM 0 HG11 VAL A 12 1.855 -5.785 0.985 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.753 -6.075 2.494 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.901 -4.533 2.248 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.722 -4.306 -0.713 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.868 -2.917 0.390 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.289 -3.486 -0.517 1.00 0.00 H new ATOM 193 N SER A 13 3.745 -4.046 4.418 1.00 0.00 N ATOM 194 CA SER A 13 2.943 -3.592 5.514 1.00 0.00 C ATOM 195 C SER A 13 3.624 -2.421 6.241 1.00 0.00 C ATOM 196 O SER A 13 2.945 -1.576 6.820 1.00 0.00 O ATOM 197 CB SER A 13 2.654 -4.776 6.449 1.00 0.00 C ATOM 198 OG SER A 13 2.402 -5.957 5.665 1.00 0.00 O ATOM 0 H SER A 13 4.229 -4.927 4.591 1.00 0.00 H new ATOM 0 HA SER A 13 1.991 -3.211 5.145 1.00 0.00 H new ATOM 0 HB2 SER A 13 3.501 -4.942 7.115 1.00 0.00 H new ATOM 0 HB3 SER A 13 1.792 -4.554 7.079 1.00 0.00 H new ATOM 0 HG SER A 13 2.378 -6.741 6.253 1.00 0.00 H new ATOM 204 N HIS A 14 4.967 -2.331 6.117 1.00 0.00 N ATOM 205 CA HIS A 14 5.748 -1.267 6.781 1.00 0.00 C ATOM 206 C HIS A 14 5.312 0.102 6.282 1.00 0.00 C ATOM 207 O HIS A 14 5.270 1.073 7.044 1.00 0.00 O ATOM 208 CB HIS A 14 7.271 -1.433 6.563 1.00 0.00 C ATOM 209 CG HIS A 14 7.867 -2.726 7.069 1.00 0.00 C ATOM 210 ND1 HIS A 14 7.799 -3.152 8.372 1.00 0.00 N ATOM 211 CD2 HIS A 14 8.539 -3.692 6.403 1.00 0.00 C ATOM 212 CE1 HIS A 14 8.409 -4.331 8.465 1.00 0.00 C ATOM 213 NE2 HIS A 14 8.883 -4.714 7.291 1.00 0.00 N ATOM 0 H HIS A 14 5.529 -2.980 5.566 1.00 0.00 H new ATOM 0 HA HIS A 14 5.551 -1.352 7.850 1.00 0.00 H new ATOM 0 HB2 HIS A 14 7.478 -1.352 5.496 1.00 0.00 H new ATOM 0 HB3 HIS A 14 7.782 -0.603 7.051 1.00 0.00 H new ATOM 0 HD2 HIS A 14 8.773 -3.676 5.349 1.00 0.00 H new ATOM 0 HE1 HIS A 14 8.504 -4.900 9.378 1.00 0.00 H new ATOM 0 HE2 HIS A 14 9.391 -5.573 7.079 1.00 0.00 H new ATOM 221 N TRP A 15 4.982 0.170 5.001 1.00 0.00 N ATOM 222 CA TRP A 15 4.473 1.385 4.408 1.00 0.00 C ATOM 223 C TRP A 15 3.098 1.689 4.967 1.00 0.00 C ATOM 224 O TRP A 15 2.920 2.701 5.610 1.00 0.00 O ATOM 225 CB TRP A 15 4.442 1.278 2.868 1.00 0.00 C ATOM 226 CG TRP A 15 3.598 2.327 2.177 1.00 0.00 C ATOM 227 CD1 TRP A 15 3.848 3.664 2.056 1.00 0.00 C ATOM 228 CD2 TRP A 15 2.364 2.094 1.504 1.00 0.00 C ATOM 229 NE1 TRP A 15 2.833 4.274 1.363 1.00 0.00 N ATOM 230 CE2 TRP A 15 1.910 3.327 1.010 1.00 0.00 C ATOM 231 CE3 TRP A 15 1.597 0.958 1.276 1.00 0.00 C ATOM 232 CZ2 TRP A 15 0.718 3.441 0.306 1.00 0.00 C ATOM 233 CZ3 TRP A 15 0.425 1.088 0.572 1.00 0.00 C ATOM 234 CH2 TRP A 15 0.005 2.308 0.107 1.00 0.00 C ATOM 0 H TRP A 15 5.061 -0.613 4.352 1.00 0.00 H new ATOM 0 HA TRP A 15 5.141 2.209 4.661 1.00 0.00 H new ATOM 0 HB2 TRP A 15 5.463 1.347 2.492 1.00 0.00 H new ATOM 0 HB3 TRP A 15 4.068 0.292 2.594 1.00 0.00 H new ATOM 0 HD1 TRP A 15 4.719 4.168 2.449 1.00 0.00 H new ATOM 0 HE1 TRP A 15 2.776 5.269 1.147 1.00 0.00 H new ATOM 0 HE3 TRP A 15 1.916 -0.006 1.644 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 0.374 4.394 -0.067 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -0.178 0.212 0.381 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -0.926 2.367 -0.436 1.00 0.00 H new ATOM 245 N LEU A 16 2.164 0.749 4.771 1.00 0.00 N ATOM 246 CA LEU A 16 0.756 0.877 5.190 1.00 0.00 C ATOM 247 C LEU A 16 0.622 1.389 6.613 1.00 0.00 C ATOM 248 O LEU A 16 -0.081 2.369 6.864 1.00 0.00 O ATOM 249 CB LEU A 16 0.076 -0.476 5.094 1.00 0.00 C ATOM 250 CG LEU A 16 -0.135 -1.043 3.685 1.00 0.00 C ATOM 251 CD1 LEU A 16 -0.393 -2.516 3.742 1.00 0.00 C ATOM 252 CD2 LEU A 16 -1.317 -0.379 3.017 1.00 0.00 C ATOM 0 H LEU A 16 2.366 -0.138 4.309 1.00 0.00 H new ATOM 0 HA LEU A 16 0.284 1.600 4.525 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.665 -1.194 5.665 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.897 -0.403 5.580 1.00 0.00 H new ATOM 0 HG LEU A 16 0.772 -0.848 3.113 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.540 -2.899 2.732 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.460 -3.017 4.200 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.287 -2.706 4.336 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.451 -0.794 2.018 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.216 -0.557 3.608 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.138 0.694 2.943 1.00 0.00 H new ATOM 264 N VAL A 17 1.331 0.761 7.527 1.00 0.00 N ATOM 265 CA VAL A 17 1.278 1.107 8.939 1.00 0.00 C ATOM 266 C VAL A 17 1.727 2.577 9.178 1.00 0.00 C ATOM 267 O VAL A 17 1.251 3.242 10.102 1.00 0.00 O ATOM 268 CB VAL A 17 2.142 0.118 9.773 1.00 0.00 C ATOM 269 CG1 VAL A 17 2.147 0.475 11.244 1.00 0.00 C ATOM 270 CG2 VAL A 17 1.663 -1.318 9.601 1.00 0.00 C ATOM 0 H VAL A 17 1.965 -0.009 7.314 1.00 0.00 H new ATOM 0 HA VAL A 17 0.243 1.023 9.269 1.00 0.00 H new ATOM 0 HB VAL A 17 3.160 0.201 9.394 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.762 -0.241 11.790 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.555 1.477 11.374 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.128 0.446 11.629 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.288 -1.984 10.197 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.628 -1.398 9.933 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.730 -1.601 8.550 1.00 0.00 H new ATOM 280 N GLY A 18 2.551 3.094 8.281 1.00 0.00 N ATOM 281 CA GLY A 18 3.067 4.442 8.404 1.00 0.00 C ATOM 282 C GLY A 18 2.001 5.492 8.156 1.00 0.00 C ATOM 283 O GLY A 18 1.976 6.543 8.812 1.00 0.00 O ATOM 0 H GLY A 18 2.877 2.593 7.454 1.00 0.00 H new ATOM 0 HA2 GLY A 18 3.484 4.579 9.402 1.00 0.00 H new ATOM 0 HA3 GLY A 18 3.883 4.582 7.696 1.00 0.00 H new ATOM 287 N LEU A 19 1.087 5.192 7.257 1.00 0.00 N ATOM 288 CA LEU A 19 0.016 6.127 6.926 1.00 0.00 C ATOM 289 C LEU A 19 -1.282 5.753 7.626 1.00 0.00 C ATOM 290 O LEU A 19 -2.350 6.254 7.268 1.00 0.00 O ATOM 291 CB LEU A 19 -0.205 6.273 5.394 1.00 0.00 C ATOM 292 CG LEU A 19 -0.331 4.988 4.577 1.00 0.00 C ATOM 293 CD1 LEU A 19 -1.100 5.234 3.310 1.00 0.00 C ATOM 294 CD2 LEU A 19 1.021 4.496 4.187 1.00 0.00 C ATOM 0 H LEU A 19 1.058 4.313 6.740 1.00 0.00 H new ATOM 0 HA LEU A 19 0.338 7.102 7.293 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.109 6.861 5.239 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.625 6.851 4.987 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.849 4.256 5.196 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.177 4.305 2.745 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.099 5.594 3.555 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.582 5.982 2.710 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.921 3.580 3.605 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.525 5.254 3.587 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.607 4.294 5.083 1.00 0.00 H new ATOM 306 N SER A 20 -1.166 4.885 8.641 1.00 0.00 N ATOM 307 CA SER A 20 -2.299 4.382 9.442 1.00 0.00 C ATOM 308 C SER A 20 -3.181 3.440 8.629 1.00 0.00 C ATOM 309 O SER A 20 -4.274 3.086 9.022 1.00 0.00 O ATOM 310 CB SER A 20 -3.114 5.529 10.069 1.00 0.00 C ATOM 311 OG SER A 20 -2.288 6.367 10.889 1.00 0.00 O ATOM 0 H SER A 20 -0.267 4.504 8.936 1.00 0.00 H new ATOM 0 HA SER A 20 -1.880 3.805 10.267 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.572 6.126 9.280 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.925 5.116 10.668 1.00 0.00 H new ATOM 0 HG SER A 20 -2.831 7.087 11.272 1.00 0.00 H new ATOM 317 N LEU A 21 -2.629 2.948 7.559 1.00 0.00 N ATOM 318 CA LEU A 21 -3.299 2.044 6.635 1.00 0.00 C ATOM 319 C LEU A 21 -2.980 0.624 7.006 1.00 0.00 C ATOM 320 O LEU A 21 -3.140 -0.290 6.212 1.00 0.00 O ATOM 321 CB LEU A 21 -2.860 2.331 5.202 1.00 0.00 C ATOM 322 CG LEU A 21 -3.661 3.363 4.389 1.00 0.00 C ATOM 323 CD1 LEU A 21 -4.876 2.732 3.812 1.00 0.00 C ATOM 324 CD2 LEU A 21 -4.077 4.555 5.224 1.00 0.00 C ATOM 0 H LEU A 21 -1.670 3.164 7.286 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.376 2.197 6.699 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.822 2.664 5.232 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.877 1.389 4.654 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.004 3.717 3.595 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.434 3.473 3.239 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.584 1.912 3.157 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.503 2.348 4.616 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.639 5.254 4.605 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.702 4.219 6.052 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.190 5.051 5.617 1.00 0.00 H new ATOM 336 N ASP A 22 -2.530 0.454 8.242 1.00 0.00 N ATOM 337 CA ASP A 22 -2.306 -0.854 8.869 1.00 0.00 C ATOM 338 C ASP A 22 -3.542 -1.744 8.748 1.00 0.00 C ATOM 339 O ASP A 22 -3.440 -2.961 8.681 1.00 0.00 O ATOM 340 CB ASP A 22 -1.902 -0.673 10.346 1.00 0.00 C ATOM 341 CG ASP A 22 -2.783 0.314 11.089 1.00 0.00 C ATOM 342 OD1 ASP A 22 -3.904 -0.031 11.503 1.00 0.00 O ATOM 343 OD2 ASP A 22 -2.371 1.486 11.228 1.00 0.00 O ATOM 0 H ASP A 22 -2.303 1.236 8.856 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.491 -1.351 8.343 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.945 -1.639 10.849 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -0.867 -0.334 10.394 1.00 0.00 H new ATOM 348 N GLN A 23 -4.684 -1.105 8.647 1.00 0.00 N ATOM 349 CA GLN A 23 -5.962 -1.754 8.466 1.00 0.00 C ATOM 350 C GLN A 23 -6.012 -2.537 7.133 1.00 0.00 C ATOM 351 O GLN A 23 -6.685 -3.564 7.025 1.00 0.00 O ATOM 352 CB GLN A 23 -7.065 -0.689 8.561 1.00 0.00 C ATOM 353 CG GLN A 23 -7.102 0.322 7.416 1.00 0.00 C ATOM 354 CD GLN A 23 -7.644 1.672 7.847 1.00 0.00 C ATOM 355 OE1 GLN A 23 -8.854 1.897 7.881 1.00 0.00 O ATOM 356 NE2 GLN A 23 -6.761 2.596 8.106 1.00 0.00 N ATOM 0 H GLN A 23 -4.752 -0.088 8.690 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.118 -2.494 9.251 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -8.030 -1.193 8.609 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -6.942 -0.146 9.498 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.096 0.449 7.016 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -7.719 -0.072 6.608 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -5.766 2.375 8.069 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -7.065 3.539 8.346 1.00 0.00 H new ATOM 365 N TYR A 24 -5.224 -2.091 6.164 1.00 0.00 N ATOM 366 CA TYR A 24 -5.192 -2.695 4.843 1.00 0.00 C ATOM 367 C TYR A 24 -4.244 -3.885 4.793 1.00 0.00 C ATOM 368 O TYR A 24 -4.362 -4.743 3.908 1.00 0.00 O ATOM 369 CB TYR A 24 -4.805 -1.665 3.785 1.00 0.00 C ATOM 370 CG TYR A 24 -5.966 -1.133 2.959 1.00 0.00 C ATOM 371 CD1 TYR A 24 -6.766 -0.076 3.390 1.00 0.00 C ATOM 372 CD2 TYR A 24 -6.243 -1.690 1.719 1.00 0.00 C ATOM 373 CE1 TYR A 24 -7.800 0.394 2.594 1.00 0.00 C ATOM 374 CE2 TYR A 24 -7.271 -1.225 0.931 1.00 0.00 C ATOM 375 CZ TYR A 24 -8.044 -0.189 1.364 1.00 0.00 C ATOM 376 OH TYR A 24 -9.069 0.273 0.554 1.00 0.00 O ATOM 0 H TYR A 24 -4.590 -1.300 6.274 1.00 0.00 H new ATOM 0 HA TYR A 24 -6.197 -3.058 4.627 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -4.313 -0.826 4.277 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.074 -2.113 3.112 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -6.579 0.380 4.351 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -5.636 -2.510 1.363 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -8.414 1.215 2.934 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -7.465 -1.680 -0.029 1.00 0.00 H new ATOM 0 HH TYR A 24 -9.275 -0.399 -0.129 1.00 0.00 H new ATOM 386 N VAL A 25 -3.318 -3.947 5.755 1.00 0.00 N ATOM 387 CA VAL A 25 -2.342 -5.052 5.858 1.00 0.00 C ATOM 388 C VAL A 25 -3.052 -6.405 5.898 1.00 0.00 C ATOM 389 O VAL A 25 -2.568 -7.377 5.330 1.00 0.00 O ATOM 390 CB VAL A 25 -1.362 -4.908 7.084 1.00 0.00 C ATOM 391 CG1 VAL A 25 -0.428 -6.093 7.195 1.00 0.00 C ATOM 392 CG2 VAL A 25 -0.582 -3.615 6.991 1.00 0.00 C ATOM 0 H VAL A 25 -3.219 -3.240 6.484 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.727 -4.996 4.960 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.967 -4.884 7.990 1.00 0.00 H new ATOM 0 HG11 VAL A 25 0.232 -5.957 8.052 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -1.011 -7.005 7.327 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.169 -6.172 6.286 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.089 -3.533 7.846 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.001 -3.607 6.070 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.273 -2.772 6.990 1.00 0.00 H new ATOM 402 N SER A 26 -4.230 -6.414 6.504 1.00 0.00 N ATOM 403 CA SER A 26 -5.101 -7.580 6.635 1.00 0.00 C ATOM 404 C SER A 26 -5.298 -8.322 5.285 1.00 0.00 C ATOM 405 O SER A 26 -5.294 -9.553 5.227 1.00 0.00 O ATOM 406 CB SER A 26 -6.452 -7.078 7.126 1.00 0.00 C ATOM 407 OG SER A 26 -6.278 -6.130 8.178 1.00 0.00 O ATOM 0 H SER A 26 -4.624 -5.578 6.936 1.00 0.00 H new ATOM 0 HA SER A 26 -4.646 -8.288 7.328 1.00 0.00 H new ATOM 0 HB2 SER A 26 -6.998 -6.620 6.302 1.00 0.00 H new ATOM 0 HB3 SER A 26 -7.052 -7.917 7.479 1.00 0.00 H new ATOM 0 HG SER A 26 -6.392 -5.223 7.824 1.00 0.00 H new ATOM 413 N GLU A 27 -5.433 -7.568 4.214 1.00 0.00 N ATOM 414 CA GLU A 27 -5.679 -8.142 2.910 1.00 0.00 C ATOM 415 C GLU A 27 -4.434 -8.007 2.025 1.00 0.00 C ATOM 416 O GLU A 27 -4.181 -8.858 1.183 1.00 0.00 O ATOM 417 CB GLU A 27 -6.895 -7.476 2.278 1.00 0.00 C ATOM 418 CG GLU A 27 -7.296 -7.993 0.901 1.00 0.00 C ATOM 419 CD GLU A 27 -7.870 -9.377 0.873 1.00 0.00 C ATOM 420 OE1 GLU A 27 -8.903 -9.625 1.522 1.00 0.00 O ATOM 421 OE2 GLU A 27 -7.327 -10.235 0.147 1.00 0.00 O ATOM 0 H GLU A 27 -5.376 -6.550 4.223 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.891 -9.206 3.014 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.743 -7.598 2.952 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.700 -6.406 2.201 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -8.027 -7.307 0.473 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -6.419 -7.969 0.254 1.00 0.00 H new ATOM 428 N PHE A 28 -3.633 -6.952 2.246 1.00 0.00 N ATOM 429 CA PHE A 28 -2.366 -6.767 1.516 1.00 0.00 C ATOM 430 C PHE A 28 -1.478 -8.008 1.645 1.00 0.00 C ATOM 431 O PHE A 28 -0.836 -8.441 0.684 1.00 0.00 O ATOM 432 CB PHE A 28 -1.625 -5.519 2.021 1.00 0.00 C ATOM 433 CG PHE A 28 -1.815 -4.282 1.166 1.00 0.00 C ATOM 434 CD1 PHE A 28 -3.051 -3.673 1.039 1.00 0.00 C ATOM 435 CD2 PHE A 28 -0.736 -3.728 0.490 1.00 0.00 C ATOM 436 CE1 PHE A 28 -3.201 -2.541 0.252 1.00 0.00 C ATOM 437 CE2 PHE A 28 -0.885 -2.601 -0.289 1.00 0.00 C ATOM 438 CZ PHE A 28 -2.119 -2.009 -0.406 1.00 0.00 C ATOM 0 H PHE A 28 -3.838 -6.216 2.922 1.00 0.00 H new ATOM 0 HA PHE A 28 -2.601 -6.623 0.461 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -1.960 -5.299 3.034 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -0.560 -5.744 2.079 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -3.906 -4.082 1.557 1.00 0.00 H new ATOM 0 HD2 PHE A 28 0.237 -4.188 0.576 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -4.171 -2.076 0.156 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.034 -2.184 -0.806 1.00 0.00 H new ATOM 0 HZ PHE A 28 -2.238 -1.125 -1.015 1.00 0.00 H new ATOM 448 N SER A 29 -1.519 -8.609 2.814 1.00 0.00 N ATOM 449 CA SER A 29 -0.768 -9.803 3.105 1.00 0.00 C ATOM 450 C SER A 29 -1.369 -11.026 2.402 1.00 0.00 C ATOM 451 O SER A 29 -0.649 -11.928 1.957 1.00 0.00 O ATOM 452 CB SER A 29 -0.759 -10.013 4.613 1.00 0.00 C ATOM 453 OG SER A 29 -2.077 -9.932 5.136 1.00 0.00 O ATOM 0 H SER A 29 -2.083 -8.276 3.596 1.00 0.00 H new ATOM 0 HA SER A 29 0.250 -9.683 2.735 1.00 0.00 H new ATOM 0 HB2 SER A 29 -0.328 -10.986 4.848 1.00 0.00 H new ATOM 0 HB3 SER A 29 -0.127 -9.262 5.087 1.00 0.00 H new ATOM 0 HG SER A 29 -2.223 -9.042 5.518 1.00 0.00 H new ATOM 459 N ALA A 30 -2.676 -11.010 2.247 1.00 0.00 N ATOM 460 CA ALA A 30 -3.412 -12.131 1.714 1.00 0.00 C ATOM 461 C ALA A 30 -3.236 -12.260 0.214 1.00 0.00 C ATOM 462 O ALA A 30 -3.261 -13.366 -0.323 1.00 0.00 O ATOM 463 CB ALA A 30 -4.884 -12.012 2.085 1.00 0.00 C ATOM 0 H ALA A 30 -3.260 -10.210 2.490 1.00 0.00 H new ATOM 0 HA ALA A 30 -3.009 -13.041 2.159 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -5.432 -12.862 1.679 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -4.986 -12.000 3.170 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -5.290 -11.088 1.672 1.00 0.00 H new ATOM 469 N GLN A 31 -3.049 -11.140 -0.470 1.00 0.00 N ATOM 470 CA GLN A 31 -2.873 -11.192 -1.928 1.00 0.00 C ATOM 471 C GLN A 31 -1.405 -11.170 -2.278 1.00 0.00 C ATOM 472 O GLN A 31 -1.043 -11.177 -3.457 1.00 0.00 O ATOM 473 CB GLN A 31 -3.578 -10.041 -2.655 1.00 0.00 C ATOM 474 CG GLN A 31 -4.706 -9.419 -1.884 1.00 0.00 C ATOM 475 CD GLN A 31 -5.676 -8.640 -2.752 1.00 0.00 C ATOM 476 OE1 GLN A 31 -5.303 -8.064 -3.784 1.00 0.00 O ATOM 477 NE2 GLN A 31 -6.921 -8.630 -2.355 1.00 0.00 N ATOM 0 H GLN A 31 -3.015 -10.206 -0.061 1.00 0.00 H new ATOM 0 HA GLN A 31 -3.330 -12.124 -2.261 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -2.844 -9.270 -2.887 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -3.964 -10.410 -3.606 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -5.251 -10.202 -1.357 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -4.294 -8.753 -1.126 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.187 -9.117 -1.499 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -7.626 -8.135 -2.901 1.00 0.00 H new ATOM 486 N ASN A 32 -0.560 -11.129 -1.234 1.00 0.00 N ATOM 487 CA ASN A 32 0.887 -11.123 -1.379 1.00 0.00 C ATOM 488 C ASN A 32 1.326 -9.884 -2.120 1.00 0.00 C ATOM 489 O ASN A 32 2.247 -9.921 -2.949 1.00 0.00 O ATOM 490 CB ASN A 32 1.382 -12.406 -2.076 1.00 0.00 C ATOM 491 CG ASN A 32 1.031 -13.659 -1.296 1.00 0.00 C ATOM 492 OD1 ASN A 32 1.802 -14.123 -0.440 1.00 0.00 O ATOM 493 ND2 ASN A 32 -0.118 -14.230 -1.583 1.00 0.00 N ATOM 0 H ASN A 32 -0.874 -11.099 -0.264 1.00 0.00 H new ATOM 0 HA ASN A 32 1.338 -11.105 -0.387 1.00 0.00 H new ATOM 0 HB2 ASN A 32 0.945 -12.467 -3.073 1.00 0.00 H new ATOM 0 HB3 ASN A 32 2.463 -12.352 -2.205 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -0.400 -15.081 -1.097 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -0.727 -13.822 -2.292 1.00 0.00 H new ATOM 500 N ILE A 33 0.679 -8.771 -1.791 1.00 0.00 N ATOM 501 CA ILE A 33 0.976 -7.504 -2.399 1.00 0.00 C ATOM 502 C ILE A 33 2.395 -7.092 -1.999 1.00 0.00 C ATOM 503 O ILE A 33 2.743 -7.152 -0.828 1.00 0.00 O ATOM 504 CB ILE A 33 -0.011 -6.385 -1.917 1.00 0.00 C ATOM 505 CG1 ILE A 33 -1.478 -6.739 -2.238 1.00 0.00 C ATOM 506 CG2 ILE A 33 0.350 -5.031 -2.540 1.00 0.00 C ATOM 507 CD1 ILE A 33 -1.794 -6.834 -3.719 1.00 0.00 C ATOM 0 H ILE A 33 -0.064 -8.735 -1.094 1.00 0.00 H new ATOM 0 HA ILE A 33 0.877 -7.614 -3.479 1.00 0.00 H new ATOM 0 HB ILE A 33 0.090 -6.314 -0.834 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.720 -7.691 -1.766 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.126 -5.987 -1.789 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.349 -4.272 -2.190 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.363 -4.754 -2.247 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.293 -5.104 -3.626 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.846 -7.087 -3.851 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.588 -5.876 -4.197 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.175 -7.607 -4.174 1.00 0.00 H new ATOM 519 N SER A 34 3.212 -6.759 -2.957 1.00 0.00 N ATOM 520 CA SER A 34 4.519 -6.253 -2.681 1.00 0.00 C ATOM 521 C SER A 34 4.639 -4.852 -3.283 1.00 0.00 C ATOM 522 O SER A 34 3.630 -4.290 -3.757 1.00 0.00 O ATOM 523 CB SER A 34 5.560 -7.197 -3.258 1.00 0.00 C ATOM 524 OG SER A 34 5.379 -7.352 -4.656 1.00 0.00 O ATOM 0 H SER A 34 2.988 -6.832 -3.949 1.00 0.00 H new ATOM 0 HA SER A 34 4.687 -6.187 -1.606 1.00 0.00 H new ATOM 0 HB2 SER A 34 6.559 -6.811 -3.057 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.489 -8.168 -2.768 1.00 0.00 H new ATOM 0 HG SER A 34 4.437 -7.545 -4.844 1.00 0.00 H new ATOM 530 N GLY A 35 5.856 -4.314 -3.325 1.00 0.00 N ATOM 531 CA GLY A 35 6.095 -2.976 -3.829 1.00 0.00 C ATOM 532 C GLY A 35 5.712 -2.846 -5.275 1.00 0.00 C ATOM 533 O GLY A 35 5.290 -1.773 -5.719 1.00 0.00 O ATOM 0 H GLY A 35 6.698 -4.797 -3.010 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.527 -2.258 -3.237 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.149 -2.726 -3.709 1.00 0.00 H new ATOM 537 N GLU A 36 5.824 -3.958 -5.995 1.00 0.00 N ATOM 538 CA GLU A 36 5.425 -4.048 -7.387 1.00 0.00 C ATOM 539 C GLU A 36 3.984 -3.603 -7.534 1.00 0.00 C ATOM 540 O GLU A 36 3.669 -2.754 -8.349 1.00 0.00 O ATOM 541 CB GLU A 36 5.567 -5.483 -7.878 1.00 0.00 C ATOM 542 CG GLU A 36 5.324 -5.644 -9.365 1.00 0.00 C ATOM 543 CD GLU A 36 6.310 -4.869 -10.207 1.00 0.00 C ATOM 544 OE1 GLU A 36 7.474 -5.271 -10.304 1.00 0.00 O ATOM 545 OE2 GLU A 36 5.931 -3.854 -10.818 1.00 0.00 O ATOM 0 H GLU A 36 6.199 -4.829 -5.620 1.00 0.00 H new ATOM 0 HA GLU A 36 6.068 -3.401 -7.983 1.00 0.00 H new ATOM 0 HB2 GLU A 36 6.569 -5.841 -7.642 1.00 0.00 H new ATOM 0 HB3 GLU A 36 4.866 -6.115 -7.333 1.00 0.00 H new ATOM 0 HG2 GLU A 36 5.383 -6.701 -9.626 1.00 0.00 H new ATOM 0 HG3 GLU A 36 4.313 -5.313 -9.601 1.00 0.00 H new ATOM 552 N GLN A 37 3.121 -4.111 -6.687 1.00 0.00 N ATOM 553 CA GLN A 37 1.728 -3.768 -6.802 1.00 0.00 C ATOM 554 C GLN A 37 1.406 -2.504 -6.048 1.00 0.00 C ATOM 555 O GLN A 37 0.423 -1.851 -6.351 1.00 0.00 O ATOM 556 CB GLN A 37 0.751 -4.912 -6.429 1.00 0.00 C ATOM 557 CG GLN A 37 1.359 -6.191 -5.856 1.00 0.00 C ATOM 558 CD GLN A 37 2.240 -6.969 -6.825 1.00 0.00 C ATOM 559 OE1 GLN A 37 3.155 -7.671 -6.413 1.00 0.00 O ATOM 560 NE2 GLN A 37 2.023 -6.802 -8.098 1.00 0.00 N ATOM 0 H GLN A 37 3.353 -4.750 -5.927 1.00 0.00 H new ATOM 0 HA GLN A 37 1.568 -3.590 -7.865 1.00 0.00 H new ATOM 0 HB2 GLN A 37 0.037 -4.523 -5.703 1.00 0.00 H new ATOM 0 HB3 GLN A 37 0.185 -5.178 -7.322 1.00 0.00 H new ATOM 0 HG2 GLN A 37 1.949 -5.934 -4.977 1.00 0.00 H new ATOM 0 HG3 GLN A 37 0.552 -6.841 -5.519 1.00 0.00 H new ATOM 0 HE21 GLN A 37 1.253 -6.211 -8.411 1.00 0.00 H new ATOM 0 HE22 GLN A 37 2.623 -7.262 -8.782 1.00 0.00 H new ATOM 569 N LEU A 38 2.268 -2.155 -5.114 1.00 0.00 N ATOM 570 CA LEU A 38 2.111 -0.986 -4.259 1.00 0.00 C ATOM 571 C LEU A 38 2.249 0.303 -5.105 1.00 0.00 C ATOM 572 O LEU A 38 1.393 1.172 -5.075 1.00 0.00 O ATOM 573 CB LEU A 38 3.206 -1.037 -3.166 1.00 0.00 C ATOM 574 CG LEU A 38 2.991 -0.254 -1.855 1.00 0.00 C ATOM 575 CD1 LEU A 38 4.181 -0.452 -0.936 1.00 0.00 C ATOM 576 CD2 LEU A 38 2.775 1.223 -2.090 1.00 0.00 C ATOM 0 H LEU A 38 3.118 -2.685 -4.921 1.00 0.00 H new ATOM 0 HA LEU A 38 1.126 -0.983 -3.793 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.360 -2.084 -2.903 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.134 -0.681 -3.613 1.00 0.00 H new ATOM 0 HG LEU A 38 2.086 -0.647 -1.392 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.023 0.104 -0.012 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.292 -1.512 -0.708 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.084 -0.090 -1.427 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.629 1.726 -1.134 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.647 1.643 -2.591 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.893 1.367 -2.714 1.00 0.00 H new ATOM 588 N LEU A 39 3.316 0.386 -5.874 1.00 0.00 N ATOM 589 CA LEU A 39 3.614 1.573 -6.693 1.00 0.00 C ATOM 590 C LEU A 39 2.540 1.817 -7.732 1.00 0.00 C ATOM 591 O LEU A 39 2.219 2.958 -8.070 1.00 0.00 O ATOM 592 CB LEU A 39 4.949 1.380 -7.382 1.00 0.00 C ATOM 593 CG LEU A 39 6.150 1.261 -6.462 1.00 0.00 C ATOM 594 CD1 LEU A 39 7.332 0.700 -7.227 1.00 0.00 C ATOM 595 CD2 LEU A 39 6.485 2.626 -5.863 1.00 0.00 C ATOM 0 H LEU A 39 4.008 -0.359 -5.958 1.00 0.00 H new ATOM 0 HA LEU A 39 3.648 2.441 -6.035 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.894 0.481 -7.996 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.113 2.219 -8.058 1.00 0.00 H new ATOM 0 HG LEU A 39 5.914 0.578 -5.646 1.00 0.00 H new ATOM 0 HD11 LEU A 39 8.191 0.617 -6.561 1.00 0.00 H new ATOM 0 HD12 LEU A 39 7.079 -0.286 -7.616 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.578 1.365 -8.055 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.348 2.532 -5.204 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.715 3.328 -6.664 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.631 2.993 -5.293 1.00 0.00 H new ATOM 607 N GLN A 40 1.997 0.753 -8.230 1.00 0.00 N ATOM 608 CA GLN A 40 0.952 0.835 -9.232 1.00 0.00 C ATOM 609 C GLN A 40 -0.442 0.598 -8.648 1.00 0.00 C ATOM 610 O GLN A 40 -1.369 0.202 -9.356 1.00 0.00 O ATOM 611 CB GLN A 40 1.282 -0.063 -10.436 1.00 0.00 C ATOM 612 CG GLN A 40 1.554 -1.531 -10.134 1.00 0.00 C ATOM 613 CD GLN A 40 0.364 -2.429 -10.233 1.00 0.00 C ATOM 614 OE1 GLN A 40 0.046 -2.923 -11.301 1.00 0.00 O ATOM 615 NE2 GLN A 40 -0.243 -2.728 -9.139 1.00 0.00 N ATOM 0 H GLN A 40 2.254 -0.197 -7.964 1.00 0.00 H new ATOM 0 HA GLN A 40 0.921 1.859 -9.605 1.00 0.00 H new ATOM 0 HB2 GLN A 40 0.452 -0.008 -11.141 1.00 0.00 H new ATOM 0 HB3 GLN A 40 2.156 0.349 -10.940 1.00 0.00 H new ATOM 0 HG2 GLN A 40 2.320 -1.891 -10.821 1.00 0.00 H new ATOM 0 HG3 GLN A 40 1.966 -1.609 -9.128 1.00 0.00 H new ATOM 0 HE21 GLN A 40 0.047 -2.297 -8.261 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -1.014 -3.396 -9.150 1.00 0.00 H new ATOM 624 N LEU A 41 -0.588 0.865 -7.349 1.00 0.00 N ATOM 625 CA LEU A 41 -1.875 0.813 -6.706 1.00 0.00 C ATOM 626 C LEU A 41 -2.807 1.841 -7.280 1.00 0.00 C ATOM 627 O LEU A 41 -2.377 2.888 -7.767 1.00 0.00 O ATOM 628 CB LEU A 41 -1.780 1.016 -5.214 1.00 0.00 C ATOM 629 CG LEU A 41 -1.363 -0.177 -4.393 1.00 0.00 C ATOM 630 CD1 LEU A 41 -1.141 0.268 -2.993 1.00 0.00 C ATOM 631 CD2 LEU A 41 -2.437 -1.255 -4.417 1.00 0.00 C ATOM 0 H LEU A 41 0.182 1.119 -6.730 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.268 -0.186 -6.893 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.072 1.823 -5.025 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.752 1.354 -4.854 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.449 -0.597 -4.812 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.838 -0.584 -2.384 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.358 1.026 -2.972 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.064 0.689 -2.594 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.112 -2.105 -3.817 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.364 -0.854 -4.007 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.605 -1.578 -5.444 1.00 0.00 H new ATOM 643 N ASP A 42 -4.060 1.559 -7.201 1.00 0.00 N ATOM 644 CA ASP A 42 -5.088 2.399 -7.733 1.00 0.00 C ATOM 645 C ASP A 42 -6.345 2.065 -6.982 1.00 0.00 C ATOM 646 O ASP A 42 -6.328 1.107 -6.191 1.00 0.00 O ATOM 647 CB ASP A 42 -5.254 2.145 -9.250 1.00 0.00 C ATOM 648 CG ASP A 42 -6.360 2.958 -9.863 1.00 0.00 C ATOM 649 OD1 ASP A 42 -6.452 4.161 -9.569 1.00 0.00 O ATOM 650 OD2 ASP A 42 -7.214 2.388 -10.549 1.00 0.00 O ATOM 0 H ASP A 42 -4.414 0.714 -6.752 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.844 3.455 -7.615 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.317 2.376 -9.756 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.453 1.086 -9.416 1.00 0.00 H new ATOM 655 N GLY A 43 -7.419 2.821 -7.196 1.00 0.00 N ATOM 656 CA GLY A 43 -8.657 2.562 -6.520 1.00 0.00 C ATOM 657 C GLY A 43 -9.139 1.184 -6.818 1.00 0.00 C ATOM 658 O GLY A 43 -9.579 0.492 -5.936 1.00 0.00 O ATOM 0 H GLY A 43 -7.442 3.615 -7.836 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.522 2.681 -5.445 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.406 3.290 -6.830 1.00 0.00 H new ATOM 662 N ASN A 44 -8.992 0.783 -8.074 1.00 0.00 N ATOM 663 CA ASN A 44 -9.343 -0.552 -8.540 1.00 0.00 C ATOM 664 C ASN A 44 -8.720 -1.620 -7.679 1.00 0.00 C ATOM 665 O ASN A 44 -9.389 -2.553 -7.248 1.00 0.00 O ATOM 666 CB ASN A 44 -8.932 -0.723 -9.992 1.00 0.00 C ATOM 667 CG ASN A 44 -9.834 0.035 -10.950 1.00 0.00 C ATOM 668 OD1 ASN A 44 -11.028 0.183 -10.712 1.00 0.00 O ATOM 669 ND2 ASN A 44 -9.280 0.539 -12.011 1.00 0.00 N ATOM 0 H ASN A 44 -8.620 1.385 -8.809 1.00 0.00 H new ATOM 0 HA ASN A 44 -10.425 -0.663 -8.464 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -7.905 -0.379 -10.117 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -8.947 -1.783 -10.247 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -9.841 1.075 -12.673 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -8.284 0.399 -12.182 1.00 0.00 H new ATOM 676 N LYS A 45 -7.444 -1.467 -7.399 1.00 0.00 N ATOM 677 CA LYS A 45 -6.758 -2.388 -6.530 1.00 0.00 C ATOM 678 C LYS A 45 -7.286 -2.283 -5.106 1.00 0.00 C ATOM 679 O LYS A 45 -7.575 -3.271 -4.503 1.00 0.00 O ATOM 680 CB LYS A 45 -5.251 -2.181 -6.565 1.00 0.00 C ATOM 681 CG LYS A 45 -4.702 -2.129 -7.971 1.00 0.00 C ATOM 682 CD LYS A 45 -3.243 -2.582 -8.055 1.00 0.00 C ATOM 683 CE LYS A 45 -3.016 -4.040 -7.621 1.00 0.00 C ATOM 684 NZ LYS A 45 -3.753 -5.022 -8.446 1.00 0.00 N ATOM 0 H LYS A 45 -6.863 -0.712 -7.763 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.957 -3.394 -6.898 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.004 -1.254 -6.048 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.765 -2.989 -6.019 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.311 -2.760 -8.618 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.784 -1.111 -8.351 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.894 -2.460 -9.080 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.634 -1.929 -7.431 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.950 -4.264 -7.669 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.318 -4.152 -6.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.543 -5.984 -8.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -4.775 -4.844 -8.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -3.460 -4.930 -9.440 1.00 0.00 H new ATOM 698 N LEU A 46 -7.481 -1.064 -4.613 1.00 0.00 N ATOM 699 CA LEU A 46 -8.000 -0.822 -3.241 1.00 0.00 C ATOM 700 C LEU A 46 -9.381 -1.450 -3.041 1.00 0.00 C ATOM 701 O LEU A 46 -9.791 -1.795 -1.905 1.00 0.00 O ATOM 702 CB LEU A 46 -8.086 0.679 -2.977 1.00 0.00 C ATOM 703 CG LEU A 46 -6.755 1.444 -3.010 1.00 0.00 C ATOM 704 CD1 LEU A 46 -6.976 2.932 -2.826 1.00 0.00 C ATOM 705 CD2 LEU A 46 -5.787 0.906 -1.962 1.00 0.00 C ATOM 0 H LEU A 46 -7.290 -0.210 -5.138 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.308 -1.287 -2.539 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.755 1.120 -3.716 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.546 0.831 -2.000 1.00 0.00 H new ATOM 0 HG LEU A 46 -6.308 1.289 -3.992 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.017 3.448 -2.854 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -7.613 3.307 -3.627 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.457 3.112 -1.865 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.853 1.466 -2.008 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.227 1.015 -0.971 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.588 -0.148 -2.157 1.00 0.00 H new ATOM 717 N LYS A 47 -10.093 -1.574 -4.129 1.00 0.00 N ATOM 718 CA LYS A 47 -11.394 -2.175 -4.149 1.00 0.00 C ATOM 719 C LYS A 47 -11.270 -3.701 -4.251 1.00 0.00 C ATOM 720 O LYS A 47 -12.049 -4.440 -3.642 1.00 0.00 O ATOM 721 CB LYS A 47 -12.223 -1.575 -5.290 1.00 0.00 C ATOM 722 CG LYS A 47 -12.405 -0.057 -5.148 1.00 0.00 C ATOM 723 CD LYS A 47 -12.953 0.598 -6.413 1.00 0.00 C ATOM 724 CE LYS A 47 -14.384 0.154 -6.701 1.00 0.00 C ATOM 725 NZ LYS A 47 -14.922 0.765 -7.930 1.00 0.00 N ATOM 0 H LYS A 47 -9.776 -1.253 -5.044 1.00 0.00 H new ATOM 0 HA LYS A 47 -11.917 -1.960 -3.217 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -11.737 -1.792 -6.241 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -13.202 -2.054 -5.315 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -13.081 0.146 -4.318 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -11.446 0.397 -4.897 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -12.923 1.682 -6.304 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -12.315 0.345 -7.260 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -14.414 -0.932 -6.794 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -15.021 0.419 -5.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -15.896 0.434 -8.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -14.919 1.800 -7.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -14.331 0.492 -8.741 1.00 0.00 H new ATOM 739 N ALA A 48 -10.249 -4.156 -4.973 1.00 0.00 N ATOM 740 CA ALA A 48 -9.942 -5.588 -5.121 1.00 0.00 C ATOM 741 C ALA A 48 -9.287 -6.126 -3.842 1.00 0.00 C ATOM 742 O ALA A 48 -9.153 -7.330 -3.641 1.00 0.00 O ATOM 743 CB ALA A 48 -9.041 -5.827 -6.327 1.00 0.00 C ATOM 0 H ALA A 48 -9.605 -3.545 -5.476 1.00 0.00 H new ATOM 0 HA ALA A 48 -10.876 -6.125 -5.286 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -8.828 -6.892 -6.416 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.543 -5.480 -7.230 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.107 -5.279 -6.198 1.00 0.00 H new ATOM 749 N LEU A 49 -8.884 -5.204 -2.981 1.00 0.00 N ATOM 750 CA LEU A 49 -8.361 -5.510 -1.665 1.00 0.00 C ATOM 751 C LEU A 49 -9.527 -5.736 -0.707 1.00 0.00 C ATOM 752 O LEU A 49 -9.340 -5.886 0.480 1.00 0.00 O ATOM 753 CB LEU A 49 -7.457 -4.360 -1.147 1.00 0.00 C ATOM 754 CG LEU A 49 -5.915 -4.465 -1.365 1.00 0.00 C ATOM 755 CD1 LEU A 49 -5.337 -5.621 -0.605 1.00 0.00 C ATOM 756 CD2 LEU A 49 -5.535 -4.592 -2.821 1.00 0.00 C ATOM 0 H LEU A 49 -8.913 -4.205 -3.184 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.752 -6.412 -1.725 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.795 -3.436 -1.616 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.634 -4.257 -0.076 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.499 -3.531 -0.988 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.262 -5.668 -0.777 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.529 -5.489 0.460 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.800 -6.548 -0.945 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.451 -4.661 -2.909 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -5.991 -5.489 -3.239 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.888 -3.717 -3.367 1.00 0.00 H new ATOM 768 N GLY A 50 -10.743 -5.659 -1.248 1.00 0.00 N ATOM 769 CA GLY A 50 -11.965 -5.945 -0.510 1.00 0.00 C ATOM 770 C GLY A 50 -12.227 -5.014 0.650 1.00 0.00 C ATOM 771 O GLY A 50 -13.167 -5.217 1.412 1.00 0.00 O ATOM 0 H GLY A 50 -10.905 -5.394 -2.220 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -12.810 -5.896 -1.197 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -11.918 -6.968 -0.136 1.00 0.00 H new ATOM 775 N MET A 51 -11.420 -4.000 0.794 1.00 0.00 N ATOM 776 CA MET A 51 -11.575 -3.101 1.908 1.00 0.00 C ATOM 777 C MET A 51 -12.547 -2.019 1.502 1.00 0.00 C ATOM 778 O MET A 51 -13.504 -1.732 2.198 1.00 0.00 O ATOM 779 CB MET A 51 -10.236 -2.511 2.296 1.00 0.00 C ATOM 780 CG MET A 51 -10.122 -2.088 3.758 1.00 0.00 C ATOM 781 SD MET A 51 -10.124 -3.512 4.873 1.00 0.00 S ATOM 782 CE MET A 51 -9.818 -2.716 6.449 1.00 0.00 C ATOM 0 H MET A 51 -10.653 -3.775 0.160 1.00 0.00 H new ATOM 0 HA MET A 51 -11.960 -3.634 2.777 1.00 0.00 H new ATOM 0 HB2 MET A 51 -9.457 -3.243 2.082 1.00 0.00 H new ATOM 0 HB3 MET A 51 -10.040 -1.644 1.665 1.00 0.00 H new ATOM 0 HG2 MET A 51 -9.205 -1.517 3.900 1.00 0.00 H new ATOM 0 HG3 MET A 51 -10.951 -1.428 4.011 1.00 0.00 H new ATOM 0 HE1 MET A 51 -9.791 -3.468 7.237 1.00 0.00 H new ATOM 0 HE2 MET A 51 -8.862 -2.194 6.413 1.00 0.00 H new ATOM 0 HE3 MET A 51 -10.614 -2.001 6.656 1.00 0.00 H new ATOM 792 N THR A 52 -12.294 -1.449 0.318 1.00 0.00 N ATOM 793 CA THR A 52 -13.154 -0.454 -0.356 1.00 0.00 C ATOM 794 C THR A 52 -13.504 0.787 0.506 1.00 0.00 C ATOM 795 O THR A 52 -14.455 1.517 0.207 1.00 0.00 O ATOM 796 CB THR A 52 -14.438 -1.131 -0.917 1.00 0.00 C ATOM 797 OG1 THR A 52 -15.232 -1.732 0.131 1.00 0.00 O ATOM 798 CG2 THR A 52 -14.060 -2.206 -1.909 1.00 0.00 C ATOM 0 H THR A 52 -11.457 -1.672 -0.221 1.00 0.00 H new ATOM 0 HA THR A 52 -12.560 -0.063 -1.182 1.00 0.00 H new ATOM 0 HB THR A 52 -15.029 -0.353 -1.399 1.00 0.00 H new ATOM 0 HG1 THR A 52 -14.837 -1.521 1.003 1.00 0.00 H new ATOM 0 HG21 THR A 52 -14.963 -2.676 -2.298 1.00 0.00 H new ATOM 0 HG22 THR A 52 -13.499 -1.761 -2.731 1.00 0.00 H new ATOM 0 HG23 THR A 52 -13.444 -2.957 -1.414 1.00 0.00 H new ATOM 806 N SER A 53 -12.701 1.039 1.507 1.00 0.00 N ATOM 807 CA SER A 53 -12.880 2.146 2.412 1.00 0.00 C ATOM 808 C SER A 53 -12.679 3.463 1.672 1.00 0.00 C ATOM 809 O SER A 53 -11.592 3.731 1.162 1.00 0.00 O ATOM 810 CB SER A 53 -11.876 1.982 3.546 1.00 0.00 C ATOM 811 OG SER A 53 -11.804 3.102 4.417 1.00 0.00 O ATOM 0 H SER A 53 -11.884 0.467 1.721 1.00 0.00 H new ATOM 0 HA SER A 53 -13.891 2.159 2.820 1.00 0.00 H new ATOM 0 HB2 SER A 53 -12.140 1.098 4.127 1.00 0.00 H new ATOM 0 HB3 SER A 53 -10.889 1.801 3.121 1.00 0.00 H new ATOM 0 HG SER A 53 -10.914 3.142 4.826 1.00 0.00 H new ATOM 817 N SER A 54 -13.722 4.274 1.617 1.00 0.00 N ATOM 818 CA SER A 54 -13.692 5.538 0.912 1.00 0.00 C ATOM 819 C SER A 54 -12.746 6.519 1.612 1.00 0.00 C ATOM 820 O SER A 54 -12.159 7.406 0.974 1.00 0.00 O ATOM 821 CB SER A 54 -15.105 6.088 0.803 1.00 0.00 C ATOM 822 OG SER A 54 -15.953 5.116 0.195 1.00 0.00 O ATOM 0 H SER A 54 -14.616 4.070 2.063 1.00 0.00 H new ATOM 0 HA SER A 54 -13.307 5.389 -0.097 1.00 0.00 H new ATOM 0 HB2 SER A 54 -15.482 6.346 1.792 1.00 0.00 H new ATOM 0 HB3 SER A 54 -15.104 7.004 0.213 1.00 0.00 H new ATOM 0 HG SER A 54 -16.863 5.472 0.128 1.00 0.00 H new ATOM 828 N GLN A 55 -12.583 6.318 2.916 1.00 0.00 N ATOM 829 CA GLN A 55 -11.629 7.055 3.725 1.00 0.00 C ATOM 830 C GLN A 55 -10.243 6.848 3.144 1.00 0.00 C ATOM 831 O GLN A 55 -9.520 7.800 2.805 1.00 0.00 O ATOM 832 CB GLN A 55 -11.627 6.475 5.138 1.00 0.00 C ATOM 833 CG GLN A 55 -10.545 7.044 6.037 1.00 0.00 C ATOM 834 CD GLN A 55 -10.260 6.146 7.209 1.00 0.00 C ATOM 835 OE1 GLN A 55 -10.873 6.269 8.266 1.00 0.00 O ATOM 836 NE2 GLN A 55 -9.328 5.229 7.035 1.00 0.00 N ATOM 0 H GLN A 55 -13.119 5.629 3.444 1.00 0.00 H new ATOM 0 HA GLN A 55 -11.895 8.112 3.741 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -12.599 6.658 5.596 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -11.502 5.394 5.076 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -9.632 7.188 5.460 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -10.852 8.026 6.398 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -8.842 5.159 6.141 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -9.094 4.589 7.794 1.00 0.00 H new ATOM 845 N ASP A 56 -9.909 5.597 2.994 1.00 0.00 N ATOM 846 CA ASP A 56 -8.620 5.195 2.532 1.00 0.00 C ATOM 847 C ASP A 56 -8.455 5.510 1.080 1.00 0.00 C ATOM 848 O ASP A 56 -7.416 5.975 0.678 1.00 0.00 O ATOM 849 CB ASP A 56 -8.375 3.739 2.835 1.00 0.00 C ATOM 850 CG ASP A 56 -8.396 3.499 4.326 1.00 0.00 C ATOM 851 OD1 ASP A 56 -7.646 4.181 5.057 1.00 0.00 O ATOM 852 OD2 ASP A 56 -9.231 2.709 4.790 1.00 0.00 O ATOM 0 H ASP A 56 -10.538 4.819 3.194 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.862 5.765 3.069 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -9.137 3.127 2.351 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -7.413 3.433 2.425 1.00 0.00 H new ATOM 857 N ARG A 57 -9.526 5.350 0.313 1.00 0.00 N ATOM 858 CA ARG A 57 -9.555 5.667 -1.133 1.00 0.00 C ATOM 859 C ARG A 57 -9.078 7.081 -1.436 1.00 0.00 C ATOM 860 O ARG A 57 -8.577 7.348 -2.529 1.00 0.00 O ATOM 861 CB ARG A 57 -10.960 5.451 -1.705 1.00 0.00 C ATOM 862 CG ARG A 57 -11.318 3.989 -1.897 1.00 0.00 C ATOM 863 CD ARG A 57 -10.650 3.425 -3.136 1.00 0.00 C ATOM 864 NE ARG A 57 -11.331 3.886 -4.364 1.00 0.00 N ATOM 865 CZ ARG A 57 -10.863 4.747 -5.291 1.00 0.00 C ATOM 866 NH1 ARG A 57 -9.738 5.446 -5.089 1.00 0.00 N ATOM 867 NH2 ARG A 57 -11.561 4.947 -6.398 1.00 0.00 N ATOM 0 H ARG A 57 -10.413 4.994 0.668 1.00 0.00 H new ATOM 0 HA ARG A 57 -8.858 4.982 -1.616 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -11.690 5.911 -1.038 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -11.036 5.964 -2.664 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -11.010 3.417 -1.021 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -12.400 3.884 -1.983 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.604 3.731 -3.160 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.663 2.336 -3.096 1.00 0.00 H new ATOM 0 HE ARG A 57 -12.264 3.509 -4.530 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.216 5.333 -4.220 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -9.403 6.091 -5.804 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -12.442 4.453 -6.542 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -11.218 5.595 -7.107 1.00 0.00 H new ATOM 881 N ALA A 58 -9.237 7.968 -0.485 1.00 0.00 N ATOM 882 CA ALA A 58 -8.764 9.327 -0.619 1.00 0.00 C ATOM 883 C ALA A 58 -7.328 9.463 -0.095 1.00 0.00 C ATOM 884 O ALA A 58 -6.493 10.133 -0.711 1.00 0.00 O ATOM 885 CB ALA A 58 -9.690 10.279 0.124 1.00 0.00 C ATOM 0 H ALA A 58 -9.697 7.770 0.404 1.00 0.00 H new ATOM 0 HA ALA A 58 -8.764 9.587 -1.678 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -9.324 11.300 0.017 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.695 10.208 -0.292 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -9.715 10.012 1.180 1.00 0.00 H new ATOM 891 N LEU A 59 -7.035 8.752 0.987 1.00 0.00 N ATOM 892 CA LEU A 59 -5.768 8.891 1.700 1.00 0.00 C ATOM 893 C LEU A 59 -4.643 8.108 1.042 1.00 0.00 C ATOM 894 O LEU A 59 -3.663 8.700 0.577 1.00 0.00 O ATOM 895 CB LEU A 59 -5.911 8.463 3.180 1.00 0.00 C ATOM 896 CG LEU A 59 -4.725 8.810 4.139 1.00 0.00 C ATOM 897 CD1 LEU A 59 -3.490 7.973 3.917 1.00 0.00 C ATOM 898 CD2 LEU A 59 -4.404 10.295 4.107 1.00 0.00 C ATOM 0 H LEU A 59 -7.667 8.063 1.396 1.00 0.00 H new ATOM 0 HA LEU A 59 -5.506 9.948 1.658 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.815 8.923 3.579 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.064 7.384 3.207 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.073 8.553 5.140 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.714 8.275 4.621 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.731 6.921 4.072 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.131 8.117 2.898 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.576 10.503 4.784 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.126 10.585 3.094 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.280 10.863 4.420 1.00 0.00 H new ATOM 910 N VAL A 60 -4.766 6.769 1.017 1.00 0.00 N ATOM 911 CA VAL A 60 -3.709 5.905 0.506 1.00 0.00 C ATOM 912 C VAL A 60 -3.379 6.235 -0.957 1.00 0.00 C ATOM 913 O VAL A 60 -2.262 6.080 -1.404 1.00 0.00 O ATOM 914 CB VAL A 60 -4.012 4.367 0.704 1.00 0.00 C ATOM 915 CG1 VAL A 60 -5.354 3.968 0.179 1.00 0.00 C ATOM 916 CG2 VAL A 60 -2.969 3.540 0.035 1.00 0.00 C ATOM 0 H VAL A 60 -5.592 6.270 1.347 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.824 6.114 1.107 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.005 4.191 1.780 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.506 2.901 0.343 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -6.130 4.529 0.699 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.405 4.182 -0.889 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.193 2.483 0.181 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.956 3.764 -1.032 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.994 3.767 0.465 1.00 0.00 H new ATOM 926 N LYS A 61 -4.336 6.833 -1.619 1.00 0.00 N ATOM 927 CA LYS A 61 -4.231 7.206 -3.019 1.00 0.00 C ATOM 928 C LYS A 61 -3.204 8.317 -3.181 1.00 0.00 C ATOM 929 O LYS A 61 -2.445 8.359 -4.148 1.00 0.00 O ATOM 930 CB LYS A 61 -5.613 7.640 -3.543 1.00 0.00 C ATOM 931 CG LYS A 61 -5.587 8.366 -4.886 1.00 0.00 C ATOM 932 CD LYS A 61 -5.060 7.525 -6.048 1.00 0.00 C ATOM 933 CE LYS A 61 -6.104 6.610 -6.654 1.00 0.00 C ATOM 934 NZ LYS A 61 -5.680 6.150 -8.004 1.00 0.00 N ATOM 0 H LYS A 61 -5.231 7.082 -1.198 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.897 6.350 -3.605 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.245 6.757 -3.635 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.079 8.290 -2.803 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.597 8.700 -5.124 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.970 9.259 -4.791 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -4.677 8.189 -6.823 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -4.220 6.924 -5.700 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.262 5.749 -6.004 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.057 7.134 -6.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -6.195 5.281 -8.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -5.891 6.889 -8.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -4.658 5.958 -8.000 1.00 0.00 H new ATOM 948 N LYS A 62 -3.136 9.145 -2.188 1.00 0.00 N ATOM 949 CA LYS A 62 -2.239 10.266 -2.198 1.00 0.00 C ATOM 950 C LYS A 62 -0.865 9.826 -1.733 1.00 0.00 C ATOM 951 O LYS A 62 0.159 10.324 -2.191 1.00 0.00 O ATOM 952 CB LYS A 62 -2.799 11.405 -1.326 1.00 0.00 C ATOM 953 CG LYS A 62 -1.842 12.565 -1.153 1.00 0.00 C ATOM 954 CD LYS A 62 -2.509 13.818 -0.591 1.00 0.00 C ATOM 955 CE LYS A 62 -3.074 13.616 0.812 1.00 0.00 C ATOM 956 NZ LYS A 62 -3.694 14.856 1.332 1.00 0.00 N ATOM 0 H LYS A 62 -3.701 9.066 -1.342 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.144 10.649 -3.214 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -3.723 11.772 -1.772 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -3.055 11.007 -0.344 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.032 12.263 -0.488 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.392 12.803 -2.117 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.783 14.631 -0.571 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -3.313 14.125 -1.259 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -3.815 12.817 0.795 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -2.277 13.297 1.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -4.068 14.683 2.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.980 15.611 1.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -4.470 15.146 0.704 1.00 0.00 H new ATOM 970 N LYS A 63 -0.860 8.851 -0.876 1.00 0.00 N ATOM 971 CA LYS A 63 0.354 8.352 -0.310 1.00 0.00 C ATOM 972 C LYS A 63 1.084 7.461 -1.290 1.00 0.00 C ATOM 973 O LYS A 63 2.277 7.544 -1.407 1.00 0.00 O ATOM 974 CB LYS A 63 0.080 7.554 0.941 1.00 0.00 C ATOM 975 CG LYS A 63 1.058 7.857 2.056 1.00 0.00 C ATOM 976 CD LYS A 63 0.852 9.251 2.620 1.00 0.00 C ATOM 977 CE LYS A 63 -0.508 9.409 3.310 1.00 0.00 C ATOM 978 NZ LYS A 63 -0.589 10.720 3.999 1.00 0.00 N ATOM 0 H LYS A 63 -1.702 8.378 -0.549 1.00 0.00 H new ATOM 0 HA LYS A 63 0.971 9.217 -0.068 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.933 7.763 1.285 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.123 6.491 0.705 1.00 0.00 H new ATOM 0 HG2 LYS A 63 0.942 7.122 2.852 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.077 7.763 1.682 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.646 9.472 3.334 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.935 9.981 1.815 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.308 9.328 2.574 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.654 8.603 4.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -1.429 10.739 4.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.264 10.862 4.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.659 11.480 3.292 1.00 0.00 H new ATOM 992 N LEU A 64 0.350 6.618 -1.996 1.00 0.00 N ATOM 993 CA LEU A 64 0.941 5.642 -2.914 1.00 0.00 C ATOM 994 C LEU A 64 1.716 6.314 -4.043 1.00 0.00 C ATOM 995 O LEU A 64 2.738 5.810 -4.495 1.00 0.00 O ATOM 996 CB LEU A 64 -0.143 4.656 -3.441 1.00 0.00 C ATOM 997 CG LEU A 64 -1.225 5.190 -4.417 1.00 0.00 C ATOM 998 CD1 LEU A 64 -0.725 5.223 -5.858 1.00 0.00 C ATOM 999 CD2 LEU A 64 -2.501 4.372 -4.312 1.00 0.00 C ATOM 0 H LEU A 64 -0.669 6.585 -1.954 1.00 0.00 H new ATOM 0 HA LEU A 64 1.672 5.057 -2.356 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.372 3.833 -3.937 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.656 4.236 -2.576 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.446 6.216 -4.123 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.513 5.603 -6.508 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.147 5.874 -5.926 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.451 4.216 -6.171 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.244 4.766 -5.006 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.288 3.332 -4.560 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -2.888 4.430 -3.295 1.00 0.00 H new ATOM 1011 N LYS A 65 1.260 7.471 -4.456 1.00 0.00 N ATOM 1012 CA LYS A 65 1.911 8.169 -5.551 1.00 0.00 C ATOM 1013 C LYS A 65 3.205 8.842 -5.084 1.00 0.00 C ATOM 1014 O LYS A 65 4.155 8.985 -5.848 1.00 0.00 O ATOM 1015 CB LYS A 65 0.957 9.177 -6.203 1.00 0.00 C ATOM 1016 CG LYS A 65 0.439 10.239 -5.252 1.00 0.00 C ATOM 1017 CD LYS A 65 -0.524 11.205 -5.917 1.00 0.00 C ATOM 1018 CE LYS A 65 0.136 11.966 -7.051 1.00 0.00 C ATOM 1019 NZ LYS A 65 -0.755 12.986 -7.618 1.00 0.00 N ATOM 0 H LYS A 65 0.451 7.949 -4.060 1.00 0.00 H new ATOM 0 HA LYS A 65 2.180 7.433 -6.308 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.471 9.665 -7.031 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.109 8.638 -6.627 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -0.060 9.756 -4.412 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.282 10.797 -4.844 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -1.384 10.655 -6.300 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -0.901 11.911 -5.176 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.047 12.441 -6.687 1.00 0.00 H new ATOM 0 HE3 LYS A 65 0.432 11.267 -7.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -0.267 13.483 -8.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -1.613 12.530 -7.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -1.017 13.668 -6.878 1.00 0.00 H new ATOM 1033 N GLU A 66 3.253 9.202 -3.813 1.00 0.00 N ATOM 1034 CA GLU A 66 4.409 9.879 -3.259 1.00 0.00 C ATOM 1035 C GLU A 66 5.251 8.905 -2.454 1.00 0.00 C ATOM 1036 O GLU A 66 6.303 9.262 -1.908 1.00 0.00 O ATOM 1037 CB GLU A 66 3.973 11.031 -2.356 1.00 0.00 C ATOM 1038 CG GLU A 66 3.243 10.584 -1.099 1.00 0.00 C ATOM 1039 CD GLU A 66 2.840 11.731 -0.232 1.00 0.00 C ATOM 1040 OE1 GLU A 66 3.685 12.240 0.523 1.00 0.00 O ATOM 1041 OE2 GLU A 66 1.686 12.164 -0.296 1.00 0.00 O ATOM 0 H GLU A 66 2.501 9.035 -3.144 1.00 0.00 H new ATOM 0 HA GLU A 66 5.000 10.275 -4.085 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.852 11.608 -2.069 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.325 11.699 -2.923 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.356 10.017 -1.381 1.00 0.00 H new ATOM 0 HG3 GLU A 66 3.885 9.911 -0.530 1.00 0.00 H new ATOM 1048 N MET A 67 4.814 7.662 -2.406 1.00 0.00 N ATOM 1049 CA MET A 67 5.468 6.655 -1.592 1.00 0.00 C ATOM 1050 C MET A 67 6.808 6.326 -2.168 1.00 0.00 C ATOM 1051 O MET A 67 7.708 5.965 -1.466 1.00 0.00 O ATOM 1052 CB MET A 67 4.572 5.411 -1.386 1.00 0.00 C ATOM 1053 CG MET A 67 4.594 4.339 -2.465 1.00 0.00 C ATOM 1054 SD MET A 67 6.022 3.242 -2.334 1.00 0.00 S ATOM 1055 CE MET A 67 5.858 2.702 -0.626 1.00 0.00 C ATOM 0 H MET A 67 4.004 7.323 -2.924 1.00 0.00 H new ATOM 0 HA MET A 67 5.632 7.060 -0.594 1.00 0.00 H new ATOM 0 HB2 MET A 67 4.857 4.944 -0.443 1.00 0.00 H new ATOM 0 HB3 MET A 67 3.543 5.753 -1.274 1.00 0.00 H new ATOM 0 HG2 MET A 67 3.681 3.748 -2.402 1.00 0.00 H new ATOM 0 HG3 MET A 67 4.597 4.816 -3.445 1.00 0.00 H new ATOM 0 HE1 MET A 67 6.249 1.689 -0.525 1.00 0.00 H new ATOM 0 HE2 MET A 67 6.419 3.374 0.023 1.00 0.00 H new ATOM 0 HE3 MET A 67 4.806 2.715 -0.340 1.00 0.00 H new ATOM 1065 N LYS A 68 6.956 6.579 -3.437 1.00 0.00 N ATOM 1066 CA LYS A 68 8.214 6.347 -4.111 1.00 0.00 C ATOM 1067 C LYS A 68 9.279 7.375 -3.701 1.00 0.00 C ATOM 1068 O LYS A 68 10.473 7.199 -3.949 1.00 0.00 O ATOM 1069 CB LYS A 68 8.005 6.271 -5.608 1.00 0.00 C ATOM 1070 CG LYS A 68 7.261 7.444 -6.207 1.00 0.00 C ATOM 1071 CD LYS A 68 6.998 7.207 -7.676 1.00 0.00 C ATOM 1072 CE LYS A 68 6.239 8.355 -8.297 1.00 0.00 C ATOM 1073 NZ LYS A 68 5.927 8.101 -9.713 1.00 0.00 N ATOM 0 H LYS A 68 6.218 6.949 -4.035 1.00 0.00 H new ATOM 0 HA LYS A 68 8.604 5.380 -3.793 1.00 0.00 H new ATOM 0 HB2 LYS A 68 8.978 6.191 -6.093 1.00 0.00 H new ATOM 0 HB3 LYS A 68 7.458 5.357 -5.838 1.00 0.00 H new ATOM 0 HG2 LYS A 68 6.318 7.591 -5.681 1.00 0.00 H new ATOM 0 HG3 LYS A 68 7.843 8.356 -6.078 1.00 0.00 H new ATOM 0 HD2 LYS A 68 7.945 7.071 -8.198 1.00 0.00 H new ATOM 0 HD3 LYS A 68 6.430 6.285 -7.800 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.314 8.520 -7.745 1.00 0.00 H new ATOM 0 HE3 LYS A 68 6.828 9.268 -8.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 5.406 8.911 -10.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 6.811 7.968 -10.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 5.344 7.244 -9.792 1.00 0.00 H new ATOM 1087 N MET A 69 8.830 8.437 -3.070 1.00 0.00 N ATOM 1088 CA MET A 69 9.708 9.437 -2.511 1.00 0.00 C ATOM 1089 C MET A 69 9.837 9.182 -1.014 1.00 0.00 C ATOM 1090 O MET A 69 10.875 9.427 -0.405 1.00 0.00 O ATOM 1091 CB MET A 69 9.088 10.823 -2.709 1.00 0.00 C ATOM 1092 CG MET A 69 8.639 11.095 -4.126 1.00 0.00 C ATOM 1093 SD MET A 69 7.913 12.737 -4.355 1.00 0.00 S ATOM 1094 CE MET A 69 9.297 13.796 -3.909 1.00 0.00 C ATOM 0 H MET A 69 7.838 8.631 -2.930 1.00 0.00 H new ATOM 0 HA MET A 69 10.681 9.390 -2.999 1.00 0.00 H new ATOM 0 HB2 MET A 69 8.233 10.927 -2.041 1.00 0.00 H new ATOM 0 HB3 MET A 69 9.815 11.581 -2.417 1.00 0.00 H new ATOM 0 HG2 MET A 69 9.493 10.988 -4.795 1.00 0.00 H new ATOM 0 HG3 MET A 69 7.909 10.340 -4.418 1.00 0.00 H new ATOM 0 HE1 MET A 69 9.134 14.796 -4.310 1.00 0.00 H new ATOM 0 HE2 MET A 69 9.379 13.849 -2.823 1.00 0.00 H new ATOM 0 HE3 MET A 69 10.218 13.385 -4.323 1.00 0.00 H new ATOM 1104 N SER A 70 8.794 8.612 -0.452 1.00 0.00 N ATOM 1105 CA SER A 70 8.673 8.484 0.991 1.00 0.00 C ATOM 1106 C SER A 70 9.231 7.163 1.536 1.00 0.00 C ATOM 1107 O SER A 70 9.658 7.114 2.686 1.00 0.00 O ATOM 1108 CB SER A 70 7.210 8.671 1.386 1.00 0.00 C ATOM 1109 OG SER A 70 6.706 9.890 0.837 1.00 0.00 O ATOM 0 H SER A 70 8.008 8.225 -0.975 1.00 0.00 H new ATOM 0 HA SER A 70 9.285 9.263 1.445 1.00 0.00 H new ATOM 0 HB2 SER A 70 6.618 7.829 1.027 1.00 0.00 H new ATOM 0 HB3 SER A 70 7.117 8.686 2.472 1.00 0.00 H new ATOM 0 HG SER A 70 6.551 9.776 -0.124 1.00 0.00 H new ATOM 1115 N LEU A 71 9.273 6.120 0.683 1.00 0.00 N ATOM 1116 CA LEU A 71 9.731 4.752 1.043 1.00 0.00 C ATOM 1117 C LEU A 71 11.068 4.735 1.747 1.00 0.00 C ATOM 1118 O LEU A 71 11.348 3.867 2.569 1.00 0.00 O ATOM 1119 CB LEU A 71 9.775 3.878 -0.229 1.00 0.00 C ATOM 1120 CG LEU A 71 10.704 4.329 -1.417 1.00 0.00 C ATOM 1121 CD1 LEU A 71 12.171 3.959 -1.204 1.00 0.00 C ATOM 1122 CD2 LEU A 71 10.226 3.755 -2.725 1.00 0.00 C ATOM 0 H LEU A 71 8.986 6.200 -0.293 1.00 0.00 H new ATOM 0 HA LEU A 71 9.013 4.345 1.755 1.00 0.00 H new ATOM 0 HB2 LEU A 71 10.080 2.875 0.068 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.758 3.801 -0.614 1.00 0.00 H new ATOM 0 HG LEU A 71 10.641 5.417 -1.448 1.00 0.00 H new ATOM 0 HD11 LEU A 71 12.759 4.297 -2.057 1.00 0.00 H new ATOM 0 HD12 LEU A 71 12.539 4.438 -0.297 1.00 0.00 H new ATOM 0 HD13 LEU A 71 12.263 2.877 -1.106 1.00 0.00 H new ATOM 0 HD21 LEU A 71 10.886 4.082 -3.529 1.00 0.00 H new ATOM 0 HD22 LEU A 71 10.234 2.666 -2.669 1.00 0.00 H new ATOM 0 HD23 LEU A 71 9.212 4.100 -2.925 1.00 0.00 H new ATOM 1134 N GLU A 72 11.866 5.700 1.405 1.00 0.00 N ATOM 1135 CA GLU A 72 13.179 5.861 1.914 1.00 0.00 C ATOM 1136 C GLU A 72 13.158 6.227 3.378 1.00 0.00 C ATOM 1137 O GLU A 72 13.890 5.660 4.194 1.00 0.00 O ATOM 1138 CB GLU A 72 13.863 6.966 1.112 1.00 0.00 C ATOM 1139 CG GLU A 72 15.011 7.653 1.824 1.00 0.00 C ATOM 1140 CD GLU A 72 15.669 8.687 0.975 1.00 0.00 C ATOM 1141 OE1 GLU A 72 16.552 8.342 0.175 1.00 0.00 O ATOM 1142 OE2 GLU A 72 15.314 9.870 1.087 1.00 0.00 O ATOM 0 H GLU A 72 11.602 6.423 0.735 1.00 0.00 H new ATOM 0 HA GLU A 72 13.722 4.921 1.819 1.00 0.00 H new ATOM 0 HB2 GLU A 72 14.235 6.541 0.180 1.00 0.00 H new ATOM 0 HB3 GLU A 72 13.118 7.716 0.846 1.00 0.00 H new ATOM 0 HG2 GLU A 72 14.642 8.118 2.738 1.00 0.00 H new ATOM 0 HG3 GLU A 72 15.749 6.908 2.121 1.00 0.00 H new ATOM 1149 N LYS A 73 12.297 7.142 3.702 1.00 0.00 N ATOM 1150 CA LYS A 73 12.280 7.738 4.997 1.00 0.00 C ATOM 1151 C LYS A 73 11.622 6.817 5.991 1.00 0.00 C ATOM 1152 O LYS A 73 12.201 6.480 7.024 1.00 0.00 O ATOM 1153 CB LYS A 73 11.531 9.067 4.941 1.00 0.00 C ATOM 1154 CG LYS A 73 12.116 10.063 3.951 1.00 0.00 C ATOM 1155 CD LYS A 73 11.253 11.315 3.820 1.00 0.00 C ATOM 1156 CE LYS A 73 11.118 12.071 5.137 1.00 0.00 C ATOM 1157 NZ LYS A 73 10.305 13.291 4.984 1.00 0.00 N ATOM 0 H LYS A 73 11.581 7.497 3.068 1.00 0.00 H new ATOM 0 HA LYS A 73 13.307 7.916 5.317 1.00 0.00 H new ATOM 0 HB2 LYS A 73 10.491 8.876 4.677 1.00 0.00 H new ATOM 0 HB3 LYS A 73 11.531 9.515 5.935 1.00 0.00 H new ATOM 0 HG2 LYS A 73 13.119 10.346 4.272 1.00 0.00 H new ATOM 0 HG3 LYS A 73 12.216 9.588 2.975 1.00 0.00 H new ATOM 0 HD2 LYS A 73 11.687 11.975 3.069 1.00 0.00 H new ATOM 0 HD3 LYS A 73 10.262 11.034 3.463 1.00 0.00 H new ATOM 0 HE2 LYS A 73 10.663 11.421 5.885 1.00 0.00 H new ATOM 0 HE3 LYS A 73 12.108 12.337 5.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 10.235 13.779 5.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 10.753 13.922 4.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 9.352 13.034 4.655 1.00 0.00 H new ATOM 1171 N ALA A 74 10.433 6.392 5.663 1.00 0.00 N ATOM 1172 CA ALA A 74 9.649 5.585 6.531 1.00 0.00 C ATOM 1173 C ALA A 74 8.666 4.817 5.710 1.00 0.00 C ATOM 1174 O ALA A 74 8.543 3.593 5.900 1.00 0.00 O ATOM 1175 CB ALA A 74 8.934 6.445 7.548 1.00 0.00 C ATOM 1176 OXT ALA A 74 8.066 5.413 4.809 1.00 0.00 O ATOM 0 H ALA A 74 9.984 6.604 4.772 1.00 0.00 H new ATOM 0 HA ALA A 74 10.293 4.893 7.073 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.338 5.812 8.205 1.00 0.00 H new ATOM 0 HB2 ALA A 74 9.667 6.994 8.140 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.281 7.150 7.034 1.00 0.00 H new TER 1182 ALA A 74