USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 757 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 49 ASN : amide:sc= -2.59 K(o=-4.6,f=-13!) USER MOD Set 1.2: A 52 ASN : amide:sc= -2.02 K(o=-4.6,f=-13!) USER MOD Set 2.1: A 19 THR OG1 : rot 71:sc= 1.63 USER MOD Set 2.2: A 62 HIS : no HD1:sc= 0.468 K(o=2.1,f=-3.4!) USER MOD Set 3.1: A 13 SER OG : rot 180:sc= -0.867 USER MOD Set 3.2: A 16 LYS NZ :NH3+ -164:sc= 0.0323 (180deg=-0.00306) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 140:sc= 0.0196 (180deg=-0.4) USER MOD Single : A 2 HIS : no HE2:sc= 0.875 K(o=0.87,f=-6.1!) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 5 HIS : no HD1:sc= -0.0263 X(o=-0.026,f=0) USER MOD Single : A 6 HIS : no HE2:sc= 0.185 K(o=0.19,f=-3.1!) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.0026) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -164:sc= -0.0323 (180deg=-0.253) USER MOD Single : A 35 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00949) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HD1:sc= -0.943 K(o=-0.94,f=-2.5!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS :FLIP no HD1:sc= -0.277 F(o=-1.1,f=-0.28) USER MOD Single : A 57 ASN : amide:sc= -0.116 X(o=-0.12,f=-0.49) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -0.0765 X(o=-0.076,f=-0.026) USER MOD Single : A 65 ASN : amide:sc= -0.372 X(o=-0.37,f=0) USER MOD Single : A 68 ASN : amide:sc= -0.848 K(o=-0.85,f=-3.2!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -1.39 K(o=-1.4,f=-1.9!) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 ASN : amide:sc=-0.00623 K(o=-0.0062,f=-0.87) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 169.015 8.320 0.595 1.00 0.00 N ATOM 2 CA MET A 1 168.982 9.780 0.319 1.00 0.00 C ATOM 3 C MET A 1 170.349 10.288 -0.125 1.00 0.00 C ATOM 4 O MET A 1 171.374 9.663 0.149 1.00 0.00 O ATOM 5 CB MET A 1 168.535 10.506 1.589 1.00 0.00 C ATOM 6 CG MET A 1 169.390 10.186 2.805 1.00 0.00 C ATOM 7 SD MET A 1 168.486 9.281 4.077 1.00 0.00 S ATOM 8 CE MET A 1 169.399 9.753 5.543 1.00 0.00 C ATOM 0 H1 MET A 1 168.445 8.114 1.440 1.00 0.00 H new ATOM 0 H2 MET A 1 168.625 7.804 -0.219 1.00 0.00 H new ATOM 0 H3 MET A 1 169.997 8.020 0.758 1.00 0.00 H new ATOM 0 HA MET A 1 168.281 9.975 -0.492 1.00 0.00 H new ATOM 0 HB2 MET A 1 168.559 11.581 1.411 1.00 0.00 H new ATOM 0 HB3 MET A 1 167.499 10.242 1.803 1.00 0.00 H new ATOM 0 HG2 MET A 1 170.253 9.599 2.492 1.00 0.00 H new ATOM 0 HG3 MET A 1 169.773 11.114 3.229 1.00 0.00 H new ATOM 0 HE1 MET A 1 168.959 9.272 6.416 1.00 0.00 H new ATOM 0 HE2 MET A 1 170.438 9.440 5.441 1.00 0.00 H new ATOM 0 HE3 MET A 1 169.357 10.835 5.665 1.00 0.00 H new ATOM 20 N HIS A 2 170.358 11.424 -0.814 1.00 0.00 N ATOM 21 CA HIS A 2 171.601 12.017 -1.295 1.00 0.00 C ATOM 22 C HIS A 2 171.694 13.487 -0.899 1.00 0.00 C ATOM 23 O HIS A 2 170.751 14.254 -1.094 1.00 0.00 O ATOM 24 CB HIS A 2 171.702 11.879 -2.816 1.00 0.00 C ATOM 25 CG HIS A 2 170.434 12.221 -3.535 1.00 0.00 C ATOM 26 ND1 HIS A 2 169.479 13.071 -3.017 1.00 0.00 N ATOM 27 CD2 HIS A 2 169.964 11.821 -4.741 1.00 0.00 C ATOM 28 CE1 HIS A 2 168.478 13.179 -3.872 1.00 0.00 C ATOM 29 NE2 HIS A 2 168.747 12.431 -4.926 1.00 0.00 N ATOM 0 H HIS A 2 169.519 11.953 -1.052 1.00 0.00 H new ATOM 0 HA HIS A 2 172.431 11.483 -0.832 1.00 0.00 H new ATOM 0 HB2 HIS A 2 172.501 12.526 -3.179 1.00 0.00 H new ATOM 0 HB3 HIS A 2 171.984 10.855 -3.062 1.00 0.00 H new ATOM 0 HD1 HIS A 2 169.537 13.543 -2.114 1.00 0.00 H new ATOM 0 HD2 HIS A 2 170.455 11.148 -5.429 1.00 0.00 H new ATOM 0 HE1 HIS A 2 167.590 13.778 -3.732 1.00 0.00 H new ATOM 38 N HIS A 3 172.837 13.872 -0.339 1.00 0.00 N ATOM 39 CA HIS A 3 173.054 15.250 0.086 1.00 0.00 C ATOM 40 C HIS A 3 172.017 15.674 1.122 1.00 0.00 C ATOM 41 O HIS A 3 171.713 16.858 1.262 1.00 0.00 O ATOM 42 CB HIS A 3 173.005 16.190 -1.121 1.00 0.00 C ATOM 43 CG HIS A 3 174.347 16.710 -1.531 1.00 0.00 C ATOM 44 ND1 HIS A 3 175.014 17.700 -0.841 1.00 0.00 N ATOM 45 CD2 HIS A 3 175.151 16.370 -2.568 1.00 0.00 C ATOM 46 CE1 HIS A 3 176.169 17.947 -1.436 1.00 0.00 C ATOM 47 NE2 HIS A 3 176.274 17.153 -2.485 1.00 0.00 N ATOM 0 H HIS A 3 173.627 13.249 -0.169 1.00 0.00 H new ATOM 0 HA HIS A 3 174.040 15.311 0.546 1.00 0.00 H new ATOM 0 HB2 HIS A 3 172.556 15.663 -1.963 1.00 0.00 H new ATOM 0 HB3 HIS A 3 172.354 17.033 -0.888 1.00 0.00 H new ATOM 0 HD2 HIS A 3 174.946 15.622 -3.319 1.00 0.00 H new ATOM 0 HE1 HIS A 3 176.901 18.674 -1.118 1.00 0.00 H new ATOM 0 HE2 HIS A 3 177.063 17.126 -3.130 1.00 0.00 H new ATOM 56 N HIS A 4 171.477 14.699 1.850 1.00 0.00 N ATOM 57 CA HIS A 4 170.474 14.973 2.873 1.00 0.00 C ATOM 58 C HIS A 4 169.286 15.731 2.288 1.00 0.00 C ATOM 59 O HIS A 4 168.634 16.513 2.979 1.00 0.00 O ATOM 60 CB HIS A 4 171.092 15.775 4.020 1.00 0.00 C ATOM 61 CG HIS A 4 171.556 14.925 5.162 1.00 0.00 C ATOM 62 ND1 HIS A 4 172.262 13.753 4.990 1.00 0.00 N ATOM 63 CD2 HIS A 4 171.414 15.083 6.500 1.00 0.00 C ATOM 64 CE1 HIS A 4 172.532 13.226 6.171 1.00 0.00 C ATOM 65 NE2 HIS A 4 172.028 14.014 7.104 1.00 0.00 N ATOM 0 H HIS A 4 171.718 13.713 1.750 1.00 0.00 H new ATOM 0 HA HIS A 4 170.115 14.018 3.257 1.00 0.00 H new ATOM 0 HB2 HIS A 4 171.937 16.348 3.638 1.00 0.00 H new ATOM 0 HB3 HIS A 4 170.359 16.493 4.387 1.00 0.00 H new ATOM 0 HD2 HIS A 4 170.911 15.898 6.999 1.00 0.00 H new ATOM 0 HE1 HIS A 4 173.073 12.307 6.344 1.00 0.00 H new ATOM 0 HE2 HIS A 4 172.086 13.854 8.110 1.00 0.00 H new ATOM 74 N HIS A 5 169.010 15.493 1.009 1.00 0.00 N ATOM 75 CA HIS A 5 167.901 16.153 0.331 1.00 0.00 C ATOM 76 C HIS A 5 166.600 15.385 0.541 1.00 0.00 C ATOM 77 O HIS A 5 166.531 14.182 0.289 1.00 0.00 O ATOM 78 CB HIS A 5 168.199 16.287 -1.164 1.00 0.00 C ATOM 79 CG HIS A 5 168.161 17.701 -1.657 1.00 0.00 C ATOM 80 ND1 HIS A 5 169.165 18.258 -2.422 1.00 0.00 N ATOM 81 CD2 HIS A 5 167.234 18.674 -1.490 1.00 0.00 C ATOM 82 CE1 HIS A 5 168.857 19.512 -2.703 1.00 0.00 C ATOM 83 NE2 HIS A 5 167.690 19.787 -2.151 1.00 0.00 N ATOM 0 H HIS A 5 169.539 14.848 0.422 1.00 0.00 H new ATOM 0 HA HIS A 5 167.784 17.148 0.760 1.00 0.00 H new ATOM 0 HB2 HIS A 5 169.183 15.865 -1.369 1.00 0.00 H new ATOM 0 HB3 HIS A 5 167.475 15.696 -1.725 1.00 0.00 H new ATOM 0 HD2 HIS A 5 166.309 18.590 -0.939 1.00 0.00 H new ATOM 0 HE1 HIS A 5 169.458 20.195 -3.285 1.00 0.00 H new ATOM 0 HE2 HIS A 5 167.205 20.683 -2.207 1.00 0.00 H new ATOM 92 N HIS A 6 165.571 16.088 1.002 1.00 0.00 N ATOM 93 CA HIS A 6 164.271 15.473 1.243 1.00 0.00 C ATOM 94 C HIS A 6 163.214 16.048 0.307 1.00 0.00 C ATOM 95 O HIS A 6 163.339 17.176 -0.169 1.00 0.00 O ATOM 96 CB HIS A 6 163.848 15.682 2.698 1.00 0.00 C ATOM 97 CG HIS A 6 162.994 14.577 3.236 1.00 0.00 C ATOM 98 ND1 HIS A 6 161.684 14.381 2.851 1.00 0.00 N ATOM 99 CD2 HIS A 6 163.269 13.602 4.135 1.00 0.00 C ATOM 100 CE1 HIS A 6 161.190 13.336 3.489 1.00 0.00 C ATOM 101 NE2 HIS A 6 162.131 12.844 4.274 1.00 0.00 N ATOM 0 H HIS A 6 165.612 17.084 1.216 1.00 0.00 H new ATOM 0 HA HIS A 6 164.361 14.405 1.047 1.00 0.00 H new ATOM 0 HB2 HIS A 6 164.740 15.776 3.317 1.00 0.00 H new ATOM 0 HB3 HIS A 6 163.304 16.623 2.778 1.00 0.00 H new ATOM 0 HD1 HIS A 6 161.176 14.954 2.178 1.00 0.00 H new ATOM 0 HD2 HIS A 6 164.207 13.449 4.647 1.00 0.00 H new ATOM 0 HE1 HIS A 6 160.187 12.949 3.386 1.00 0.00 H new ATOM 110 N HIS A 7 162.171 15.266 0.047 1.00 0.00 N ATOM 111 CA HIS A 7 161.092 15.698 -0.832 1.00 0.00 C ATOM 112 C HIS A 7 159.929 16.267 -0.026 1.00 0.00 C ATOM 113 O HIS A 7 159.847 16.073 1.186 1.00 0.00 O ATOM 114 CB HIS A 7 160.608 14.530 -1.693 1.00 0.00 C ATOM 115 CG HIS A 7 161.588 14.115 -2.746 1.00 0.00 C ATOM 116 ND1 HIS A 7 162.387 12.996 -2.632 1.00 0.00 N ATOM 117 CD2 HIS A 7 161.896 14.675 -3.940 1.00 0.00 C ATOM 118 CE1 HIS A 7 163.143 12.887 -3.709 1.00 0.00 C ATOM 119 NE2 HIS A 7 162.864 13.892 -4.518 1.00 0.00 N ATOM 0 H HIS A 7 162.051 14.330 0.433 1.00 0.00 H new ATOM 0 HA HIS A 7 161.479 16.483 -1.482 1.00 0.00 H new ATOM 0 HB2 HIS A 7 160.398 13.677 -1.048 1.00 0.00 H new ATOM 0 HB3 HIS A 7 159.669 14.807 -2.172 1.00 0.00 H new ATOM 0 HD2 HIS A 7 161.461 15.570 -4.359 1.00 0.00 H new ATOM 0 HE1 HIS A 7 163.867 12.108 -3.896 1.00 0.00 H new ATOM 0 HE2 HIS A 7 163.298 14.060 -5.426 1.00 0.00 H new ATOM 128 N LEU A 8 159.032 16.972 -0.708 1.00 0.00 N ATOM 129 CA LEU A 8 157.874 17.570 -0.056 1.00 0.00 C ATOM 130 C LEU A 8 156.841 18.016 -1.086 1.00 0.00 C ATOM 131 O LEU A 8 157.100 17.998 -2.288 1.00 0.00 O ATOM 132 CB LEU A 8 158.307 18.760 0.806 1.00 0.00 C ATOM 133 CG LEU A 8 157.874 18.688 2.273 1.00 0.00 C ATOM 134 CD1 LEU A 8 159.059 18.931 3.195 1.00 0.00 C ATOM 135 CD2 LEU A 8 156.766 19.692 2.554 1.00 0.00 C ATOM 0 H LEU A 8 159.085 17.143 -1.712 1.00 0.00 H new ATOM 0 HA LEU A 8 157.416 16.816 0.585 1.00 0.00 H new ATOM 0 HB2 LEU A 8 159.393 18.841 0.767 1.00 0.00 H new ATOM 0 HB3 LEU A 8 157.903 19.673 0.368 1.00 0.00 H new ATOM 0 HG LEU A 8 157.489 17.687 2.466 1.00 0.00 H new ATOM 0 HD11 LEU A 8 158.730 18.876 4.233 1.00 0.00 H new ATOM 0 HD12 LEU A 8 159.821 18.173 3.015 1.00 0.00 H new ATOM 0 HD13 LEU A 8 159.476 19.919 2.999 1.00 0.00 H new ATOM 0 HD21 LEU A 8 156.472 19.626 3.601 1.00 0.00 H new ATOM 0 HD22 LEU A 8 157.125 20.699 2.341 1.00 0.00 H new ATOM 0 HD23 LEU A 8 155.906 19.472 1.921 1.00 0.00 H new ATOM 147 N VAL A 9 155.668 18.418 -0.605 1.00 0.00 N ATOM 148 CA VAL A 9 154.596 18.869 -1.484 1.00 0.00 C ATOM 149 C VAL A 9 154.105 17.735 -2.381 1.00 0.00 C ATOM 150 O VAL A 9 154.732 17.419 -3.392 1.00 0.00 O ATOM 151 CB VAL A 9 155.053 20.044 -2.369 1.00 0.00 C ATOM 152 CG1 VAL A 9 153.875 20.628 -3.132 1.00 0.00 C ATOM 153 CG2 VAL A 9 155.735 21.112 -1.527 1.00 0.00 C ATOM 0 H VAL A 9 155.437 18.440 0.388 1.00 0.00 H new ATOM 0 HA VAL A 9 153.780 19.201 -0.842 1.00 0.00 H new ATOM 0 HB VAL A 9 155.775 19.669 -3.094 1.00 0.00 H new ATOM 0 HG11 VAL A 9 154.218 21.457 -3.752 1.00 0.00 H new ATOM 0 HG12 VAL A 9 153.435 19.859 -3.766 1.00 0.00 H new ATOM 0 HG13 VAL A 9 153.127 20.988 -2.426 1.00 0.00 H new ATOM 0 HG21 VAL A 9 156.051 21.934 -2.169 1.00 0.00 H new ATOM 0 HG22 VAL A 9 155.037 21.485 -0.777 1.00 0.00 H new ATOM 0 HG23 VAL A 9 156.606 20.683 -1.031 1.00 0.00 H new ATOM 163 N PRO A 10 152.970 17.104 -2.025 1.00 0.00 N ATOM 164 CA PRO A 10 152.402 16.001 -2.807 1.00 0.00 C ATOM 165 C PRO A 10 152.274 16.347 -4.287 1.00 0.00 C ATOM 166 O PRO A 10 152.627 17.448 -4.710 1.00 0.00 O ATOM 167 CB PRO A 10 151.020 15.800 -2.184 1.00 0.00 C ATOM 168 CG PRO A 10 151.165 16.282 -0.783 1.00 0.00 C ATOM 169 CD PRO A 10 152.154 17.413 -0.833 1.00 0.00 C ATOM 0 HA PRO A 10 153.032 15.112 -2.776 1.00 0.00 H new ATOM 0 HB2 PRO A 10 150.258 16.365 -2.720 1.00 0.00 H new ATOM 0 HB3 PRO A 10 150.721 14.752 -2.214 1.00 0.00 H new ATOM 0 HG2 PRO A 10 150.208 16.619 -0.385 1.00 0.00 H new ATOM 0 HG3 PRO A 10 151.518 15.484 -0.130 1.00 0.00 H new ATOM 0 HD2 PRO A 10 151.656 18.378 -0.927 1.00 0.00 H new ATOM 0 HD3 PRO A 10 152.762 17.455 0.070 1.00 0.00 H new ATOM 177 N ARG A 11 151.768 15.400 -5.070 1.00 0.00 N ATOM 178 CA ARG A 11 151.594 15.607 -6.504 1.00 0.00 C ATOM 179 C ARG A 11 150.256 15.048 -6.978 1.00 0.00 C ATOM 180 O ARG A 11 149.432 15.773 -7.534 1.00 0.00 O ATOM 181 CB ARG A 11 152.742 14.951 -7.277 1.00 0.00 C ATOM 182 CG ARG A 11 153.418 15.884 -8.268 1.00 0.00 C ATOM 183 CD ARG A 11 153.928 15.130 -9.484 1.00 0.00 C ATOM 184 NE ARG A 11 155.115 14.334 -9.177 1.00 0.00 N ATOM 185 CZ ARG A 11 155.958 13.875 -10.099 1.00 0.00 C ATOM 186 NH1 ARG A 11 155.749 14.127 -11.385 1.00 0.00 N ATOM 187 NH2 ARG A 11 157.014 13.160 -9.734 1.00 0.00 N ATOM 0 H ARG A 11 151.471 14.483 -4.737 1.00 0.00 H new ATOM 0 HA ARG A 11 151.603 16.680 -6.696 1.00 0.00 H new ATOM 0 HB2 ARG A 11 153.485 14.587 -6.568 1.00 0.00 H new ATOM 0 HB3 ARG A 11 152.359 14.082 -7.812 1.00 0.00 H new ATOM 0 HG2 ARG A 11 152.713 16.653 -8.585 1.00 0.00 H new ATOM 0 HG3 ARG A 11 154.249 16.394 -7.780 1.00 0.00 H new ATOM 0 HD2 ARG A 11 153.141 14.477 -9.862 1.00 0.00 H new ATOM 0 HD3 ARG A 11 154.162 15.839 -10.278 1.00 0.00 H new ATOM 0 HE ARG A 11 155.308 14.118 -8.199 1.00 0.00 H new ATOM 0 HH11 ARG A 11 154.938 14.676 -11.672 1.00 0.00 H new ATOM 0 HH12 ARG A 11 156.399 13.772 -12.086 1.00 0.00 H new ATOM 0 HH21 ARG A 11 157.180 12.962 -8.747 1.00 0.00 H new ATOM 0 HH22 ARG A 11 157.660 12.808 -10.440 1.00 0.00 H new ATOM 201 N GLY A 12 150.050 13.754 -6.758 1.00 0.00 N ATOM 202 CA GLY A 12 148.810 13.121 -7.170 1.00 0.00 C ATOM 203 C GLY A 12 148.248 12.197 -6.109 1.00 0.00 C ATOM 204 O GLY A 12 147.562 11.224 -6.422 1.00 0.00 O ATOM 0 H GLY A 12 150.718 13.133 -6.302 1.00 0.00 H new ATOM 0 HA2 GLY A 12 148.074 13.890 -7.404 1.00 0.00 H new ATOM 0 HA3 GLY A 12 148.982 12.555 -8.086 1.00 0.00 H new ATOM 208 N SER A 13 148.539 12.499 -4.847 1.00 0.00 N ATOM 209 CA SER A 13 148.059 11.688 -3.736 1.00 0.00 C ATOM 210 C SER A 13 148.563 10.253 -3.851 1.00 0.00 C ATOM 211 O SER A 13 147.845 9.304 -3.537 1.00 0.00 O ATOM 212 CB SER A 13 146.530 11.702 -3.691 1.00 0.00 C ATOM 213 OG SER A 13 146.049 12.872 -3.051 1.00 0.00 O ATOM 0 H SER A 13 149.106 13.301 -4.570 1.00 0.00 H new ATOM 0 HA SER A 13 148.447 12.117 -2.812 1.00 0.00 H new ATOM 0 HB2 SER A 13 146.133 11.649 -4.705 1.00 0.00 H new ATOM 0 HB3 SER A 13 146.171 10.820 -3.161 1.00 0.00 H new ATOM 0 HG SER A 13 145.069 12.858 -3.037 1.00 0.00 H new ATOM 219 N ILE A 14 149.804 10.102 -4.303 1.00 0.00 N ATOM 220 CA ILE A 14 150.405 8.784 -4.460 1.00 0.00 C ATOM 221 C ILE A 14 151.311 8.449 -3.280 1.00 0.00 C ATOM 222 O ILE A 14 151.285 7.333 -2.763 1.00 0.00 O ATOM 223 CB ILE A 14 151.223 8.690 -5.763 1.00 0.00 C ATOM 224 CG1 ILE A 14 150.400 9.205 -6.945 1.00 0.00 C ATOM 225 CG2 ILE A 14 151.670 7.257 -6.006 1.00 0.00 C ATOM 226 CD1 ILE A 14 149.172 8.371 -7.237 1.00 0.00 C ATOM 0 H ILE A 14 150.412 10.877 -4.567 1.00 0.00 H new ATOM 0 HA ILE A 14 149.586 8.066 -4.502 1.00 0.00 H new ATOM 0 HB ILE A 14 152.111 9.314 -5.663 1.00 0.00 H new ATOM 0 HG12 ILE A 14 150.093 10.231 -6.743 1.00 0.00 H new ATOM 0 HG13 ILE A 14 151.031 9.230 -7.833 1.00 0.00 H new ATOM 0 HG21 ILE A 14 152.246 7.207 -6.930 1.00 0.00 H new ATOM 0 HG22 ILE A 14 152.289 6.923 -5.174 1.00 0.00 H new ATOM 0 HG23 ILE A 14 150.795 6.612 -6.089 1.00 0.00 H new ATOM 0 HD11 ILE A 14 148.638 8.795 -8.087 1.00 0.00 H new ATOM 0 HD12 ILE A 14 149.473 7.350 -7.471 1.00 0.00 H new ATOM 0 HD13 ILE A 14 148.519 8.366 -6.364 1.00 0.00 H new ATOM 238 N LEU A 15 152.113 9.422 -2.861 1.00 0.00 N ATOM 239 CA LEU A 15 153.028 9.230 -1.742 1.00 0.00 C ATOM 240 C LEU A 15 152.276 9.246 -0.414 1.00 0.00 C ATOM 241 O LEU A 15 152.496 8.393 0.444 1.00 0.00 O ATOM 242 CB LEU A 15 154.105 10.317 -1.745 1.00 0.00 C ATOM 243 CG LEU A 15 155.088 10.251 -2.915 1.00 0.00 C ATOM 244 CD1 LEU A 15 155.722 8.873 -3.004 1.00 0.00 C ATOM 245 CD2 LEU A 15 154.387 10.604 -4.218 1.00 0.00 C ATOM 0 H LEU A 15 152.148 10.352 -3.280 1.00 0.00 H new ATOM 0 HA LEU A 15 153.504 8.256 -1.857 1.00 0.00 H new ATOM 0 HB2 LEU A 15 153.616 11.291 -1.755 1.00 0.00 H new ATOM 0 HB3 LEU A 15 154.667 10.252 -0.814 1.00 0.00 H new ATOM 0 HG LEU A 15 155.880 10.980 -2.742 1.00 0.00 H new ATOM 0 HD11 LEU A 15 156.418 8.846 -3.842 1.00 0.00 H new ATOM 0 HD12 LEU A 15 156.259 8.659 -2.080 1.00 0.00 H new ATOM 0 HD13 LEU A 15 154.945 8.124 -3.154 1.00 0.00 H new ATOM 0 HD21 LEU A 15 155.100 10.552 -5.041 1.00 0.00 H new ATOM 0 HD22 LEU A 15 153.575 9.899 -4.397 1.00 0.00 H new ATOM 0 HD23 LEU A 15 153.982 11.614 -4.152 1.00 0.00 H new ATOM 257 N LYS A 16 151.389 10.222 -0.254 1.00 0.00 N ATOM 258 CA LYS A 16 150.605 10.348 0.970 1.00 0.00 C ATOM 259 C LYS A 16 149.764 9.098 1.208 1.00 0.00 C ATOM 260 O LYS A 16 149.581 8.668 2.347 1.00 0.00 O ATOM 261 CB LYS A 16 149.700 11.579 0.898 1.00 0.00 C ATOM 262 CG LYS A 16 148.913 11.682 -0.399 1.00 0.00 C ATOM 263 CD LYS A 16 147.807 12.722 -0.300 1.00 0.00 C ATOM 264 CE LYS A 16 146.645 12.218 0.541 1.00 0.00 C ATOM 265 NZ LYS A 16 145.787 11.262 -0.212 1.00 0.00 N ATOM 0 H LYS A 16 151.195 10.937 -0.955 1.00 0.00 H new ATOM 0 HA LYS A 16 151.297 10.464 1.804 1.00 0.00 H new ATOM 0 HB2 LYS A 16 149.003 11.556 1.735 1.00 0.00 H new ATOM 0 HB3 LYS A 16 150.310 12.475 1.015 1.00 0.00 H new ATOM 0 HG2 LYS A 16 149.587 11.943 -1.215 1.00 0.00 H new ATOM 0 HG3 LYS A 16 148.480 10.711 -0.641 1.00 0.00 H new ATOM 0 HD2 LYS A 16 148.205 13.638 0.138 1.00 0.00 H new ATOM 0 HD3 LYS A 16 147.452 12.974 -1.299 1.00 0.00 H new ATOM 0 HE2 LYS A 16 147.030 11.732 1.437 1.00 0.00 H new ATOM 0 HE3 LYS A 16 146.042 13.064 0.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 144.877 11.151 0.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 145.621 11.626 -1.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 146.263 10.339 -0.270 1.00 0.00 H new ATOM 279 N GLU A 17 149.255 8.518 0.126 1.00 0.00 N ATOM 280 CA GLU A 17 148.434 7.316 0.218 1.00 0.00 C ATOM 281 C GLU A 17 149.257 6.135 0.720 1.00 0.00 C ATOM 282 O GLU A 17 148.771 5.313 1.497 1.00 0.00 O ATOM 283 CB GLU A 17 147.823 6.986 -1.145 1.00 0.00 C ATOM 284 CG GLU A 17 146.800 5.862 -1.097 1.00 0.00 C ATOM 285 CD GLU A 17 146.237 5.528 -2.465 1.00 0.00 C ATOM 286 OE1 GLU A 17 146.057 6.460 -3.276 1.00 0.00 O ATOM 287 OE2 GLU A 17 145.974 4.335 -2.724 1.00 0.00 O ATOM 0 H GLU A 17 149.396 8.861 -0.824 1.00 0.00 H new ATOM 0 HA GLU A 17 147.632 7.506 0.931 1.00 0.00 H new ATOM 0 HB2 GLU A 17 147.349 7.881 -1.548 1.00 0.00 H new ATOM 0 HB3 GLU A 17 148.621 6.711 -1.835 1.00 0.00 H new ATOM 0 HG2 GLU A 17 147.263 4.972 -0.671 1.00 0.00 H new ATOM 0 HG3 GLU A 17 145.984 6.146 -0.432 1.00 0.00 H new ATOM 294 N VAL A 18 150.505 6.058 0.271 1.00 0.00 N ATOM 295 CA VAL A 18 151.398 4.978 0.676 1.00 0.00 C ATOM 296 C VAL A 18 151.837 5.143 2.128 1.00 0.00 C ATOM 297 O VAL A 18 152.171 4.168 2.801 1.00 0.00 O ATOM 298 CB VAL A 18 152.648 4.915 -0.223 1.00 0.00 C ATOM 299 CG1 VAL A 18 153.488 3.692 0.114 1.00 0.00 C ATOM 300 CG2 VAL A 18 152.253 4.909 -1.692 1.00 0.00 C ATOM 0 H VAL A 18 150.921 6.730 -0.373 1.00 0.00 H new ATOM 0 HA VAL A 18 150.838 4.049 0.572 1.00 0.00 H new ATOM 0 HB VAL A 18 153.250 5.805 -0.036 1.00 0.00 H new ATOM 0 HG11 VAL A 18 154.366 3.665 -0.531 1.00 0.00 H new ATOM 0 HG12 VAL A 18 153.805 3.744 1.156 1.00 0.00 H new ATOM 0 HG13 VAL A 18 152.896 2.790 -0.041 1.00 0.00 H new ATOM 0 HG21 VAL A 18 153.150 4.864 -2.310 1.00 0.00 H new ATOM 0 HG22 VAL A 18 151.627 4.040 -1.897 1.00 0.00 H new ATOM 0 HG23 VAL A 18 151.698 5.818 -1.923 1.00 0.00 H new ATOM 310 N THR A 19 151.833 6.384 2.607 1.00 0.00 N ATOM 311 CA THR A 19 152.230 6.675 3.980 1.00 0.00 C ATOM 312 C THR A 19 151.091 6.390 4.955 1.00 0.00 C ATOM 313 O THR A 19 151.318 6.206 6.152 1.00 0.00 O ATOM 314 CB THR A 19 152.670 8.135 4.104 1.00 0.00 C ATOM 315 OG1 THR A 19 153.525 8.495 3.034 1.00 0.00 O ATOM 316 CG2 THR A 19 153.402 8.431 5.396 1.00 0.00 C ATOM 0 H THR A 19 151.559 7.203 2.065 1.00 0.00 H new ATOM 0 HA THR A 19 153.067 6.024 4.234 1.00 0.00 H new ATOM 0 HB THR A 19 151.748 8.717 4.085 1.00 0.00 H new ATOM 0 HG1 THR A 19 153.005 8.553 2.205 1.00 0.00 H new ATOM 0 HG21 THR A 19 153.686 9.483 5.420 1.00 0.00 H new ATOM 0 HG22 THR A 19 152.751 8.211 6.242 1.00 0.00 H new ATOM 0 HG23 THR A 19 154.297 7.812 5.457 1.00 0.00 H new ATOM 324 N SER A 20 149.865 6.355 4.440 1.00 0.00 N ATOM 325 CA SER A 20 148.695 6.093 5.273 1.00 0.00 C ATOM 326 C SER A 20 148.438 4.594 5.397 1.00 0.00 C ATOM 327 O SER A 20 147.925 4.126 6.412 1.00 0.00 O ATOM 328 CB SER A 20 147.462 6.786 4.689 1.00 0.00 C ATOM 329 OG SER A 20 146.394 6.796 5.619 1.00 0.00 O ATOM 0 H SER A 20 149.656 6.504 3.453 1.00 0.00 H new ATOM 0 HA SER A 20 148.892 6.493 6.268 1.00 0.00 H new ATOM 0 HB2 SER A 20 147.714 7.809 4.409 1.00 0.00 H new ATOM 0 HB3 SER A 20 147.151 6.274 3.778 1.00 0.00 H new ATOM 0 HG SER A 20 145.619 7.246 5.222 1.00 0.00 H new ATOM 335 N VAL A 21 148.796 3.848 4.357 1.00 0.00 N ATOM 336 CA VAL A 21 148.603 2.405 4.351 1.00 0.00 C ATOM 337 C VAL A 21 149.612 1.710 5.261 1.00 0.00 C ATOM 338 O VAL A 21 149.284 0.731 5.932 1.00 0.00 O ATOM 339 CB VAL A 21 148.728 1.831 2.928 1.00 0.00 C ATOM 340 CG1 VAL A 21 147.625 2.377 2.034 1.00 0.00 C ATOM 341 CG2 VAL A 21 150.099 2.139 2.344 1.00 0.00 C ATOM 0 H VAL A 21 149.221 4.220 3.508 1.00 0.00 H new ATOM 0 HA VAL A 21 147.596 2.217 4.724 1.00 0.00 H new ATOM 0 HB VAL A 21 148.618 0.748 2.983 1.00 0.00 H new ATOM 0 HG11 VAL A 21 147.729 1.961 1.032 1.00 0.00 H new ATOM 0 HG12 VAL A 21 146.654 2.099 2.443 1.00 0.00 H new ATOM 0 HG13 VAL A 21 147.701 3.463 1.985 1.00 0.00 H new ATOM 0 HG21 VAL A 21 150.167 1.725 1.338 1.00 0.00 H new ATOM 0 HG22 VAL A 21 150.243 3.219 2.303 1.00 0.00 H new ATOM 0 HG23 VAL A 21 150.870 1.694 2.973 1.00 0.00 H new ATOM 351 N VAL A 22 150.838 2.222 5.278 1.00 0.00 N ATOM 352 CA VAL A 22 151.892 1.650 6.106 1.00 0.00 C ATOM 353 C VAL A 22 151.544 1.756 7.587 1.00 0.00 C ATOM 354 O VAL A 22 151.707 0.797 8.343 1.00 0.00 O ATOM 355 CB VAL A 22 153.247 2.341 5.849 1.00 0.00 C ATOM 356 CG1 VAL A 22 153.177 3.816 6.216 1.00 0.00 C ATOM 357 CG2 VAL A 22 154.360 1.643 6.618 1.00 0.00 C ATOM 0 H VAL A 22 151.126 3.031 4.728 1.00 0.00 H new ATOM 0 HA VAL A 22 151.976 0.598 5.833 1.00 0.00 H new ATOM 0 HB VAL A 22 153.472 2.268 4.785 1.00 0.00 H new ATOM 0 HG11 VAL A 22 154.143 4.284 6.027 1.00 0.00 H new ATOM 0 HG12 VAL A 22 152.412 4.305 5.613 1.00 0.00 H new ATOM 0 HG13 VAL A 22 152.925 3.917 7.272 1.00 0.00 H new ATOM 0 HG21 VAL A 22 155.307 2.146 6.423 1.00 0.00 H new ATOM 0 HG22 VAL A 22 154.143 1.679 7.686 1.00 0.00 H new ATOM 0 HG23 VAL A 22 154.428 0.604 6.297 1.00 0.00 H new ATOM 367 N GLU A 23 151.062 2.926 7.996 1.00 0.00 N ATOM 368 CA GLU A 23 150.690 3.154 9.386 1.00 0.00 C ATOM 369 C GLU A 23 149.414 2.394 9.740 1.00 0.00 C ATOM 370 O GLU A 23 149.205 2.015 10.892 1.00 0.00 O ATOM 371 CB GLU A 23 150.498 4.649 9.649 1.00 0.00 C ATOM 372 CG GLU A 23 149.352 5.266 8.861 1.00 0.00 C ATOM 373 CD GLU A 23 148.489 6.181 9.707 1.00 0.00 C ATOM 374 OE1 GLU A 23 147.621 5.665 10.443 1.00 0.00 O ATOM 375 OE2 GLU A 23 148.679 7.413 9.634 1.00 0.00 O ATOM 0 H GLU A 23 150.920 3.730 7.384 1.00 0.00 H new ATOM 0 HA GLU A 23 151.499 2.784 10.016 1.00 0.00 H new ATOM 0 HB2 GLU A 23 150.319 4.802 10.713 1.00 0.00 H new ATOM 0 HB3 GLU A 23 151.421 5.174 9.402 1.00 0.00 H new ATOM 0 HG2 GLU A 23 149.756 5.829 8.020 1.00 0.00 H new ATOM 0 HG3 GLU A 23 148.733 4.471 8.445 1.00 0.00 H new ATOM 382 N GLN A 24 148.567 2.171 8.739 1.00 0.00 N ATOM 383 CA GLN A 24 147.314 1.454 8.942 1.00 0.00 C ATOM 384 C GLN A 24 147.518 -0.054 8.814 1.00 0.00 C ATOM 385 O GLN A 24 146.708 -0.842 9.303 1.00 0.00 O ATOM 386 CB GLN A 24 146.264 1.924 7.934 1.00 0.00 C ATOM 387 CG GLN A 24 145.830 3.368 8.135 1.00 0.00 C ATOM 388 CD GLN A 24 144.455 3.483 8.763 1.00 0.00 C ATOM 389 OE1 GLN A 24 143.492 3.880 8.109 1.00 0.00 O ATOM 390 NE2 GLN A 24 144.359 3.135 10.042 1.00 0.00 N ATOM 0 H GLN A 24 148.727 2.477 7.779 1.00 0.00 H new ATOM 0 HA GLN A 24 146.963 1.670 9.951 1.00 0.00 H new ATOM 0 HB2 GLN A 24 146.664 1.810 6.926 1.00 0.00 H new ATOM 0 HB3 GLN A 24 145.389 1.277 8.005 1.00 0.00 H new ATOM 0 HG2 GLN A 24 146.557 3.877 8.767 1.00 0.00 H new ATOM 0 HG3 GLN A 24 145.830 3.880 7.173 1.00 0.00 H new ATOM 0 HE21 GLN A 24 145.185 2.811 10.546 1.00 0.00 H new ATOM 0 HE22 GLN A 24 143.460 3.192 10.520 1.00 0.00 H new ATOM 399 N ALA A 25 148.601 -0.450 8.151 1.00 0.00 N ATOM 400 CA ALA A 25 148.906 -1.863 7.959 1.00 0.00 C ATOM 401 C ALA A 25 149.829 -2.393 9.056 1.00 0.00 C ATOM 402 O ALA A 25 150.040 -3.600 9.165 1.00 0.00 O ATOM 403 CB ALA A 25 149.533 -2.083 6.591 1.00 0.00 C ATOM 0 H ALA A 25 149.281 0.188 7.738 1.00 0.00 H new ATOM 0 HA ALA A 25 147.969 -2.417 8.017 1.00 0.00 H new ATOM 0 HB1 ALA A 25 149.756 -3.142 6.459 1.00 0.00 H new ATOM 0 HB2 ALA A 25 148.838 -1.759 5.816 1.00 0.00 H new ATOM 0 HB3 ALA A 25 150.455 -1.506 6.516 1.00 0.00 H new ATOM 409 N TRP A 26 150.379 -1.489 9.863 1.00 0.00 N ATOM 410 CA TRP A 26 151.278 -1.883 10.944 1.00 0.00 C ATOM 411 C TRP A 26 150.525 -2.034 12.264 1.00 0.00 C ATOM 412 O TRP A 26 151.104 -1.884 13.339 1.00 0.00 O ATOM 413 CB TRP A 26 152.404 -0.860 11.094 1.00 0.00 C ATOM 414 CG TRP A 26 153.765 -1.485 11.138 1.00 0.00 C ATOM 415 CD1 TRP A 26 154.580 -1.595 12.226 1.00 0.00 C ATOM 416 CD2 TRP A 26 154.468 -2.089 10.047 1.00 0.00 C ATOM 417 NE1 TRP A 26 155.749 -2.228 11.878 1.00 0.00 N ATOM 418 CE2 TRP A 26 155.702 -2.542 10.545 1.00 0.00 C ATOM 419 CE3 TRP A 26 154.176 -2.293 8.696 1.00 0.00 C ATOM 420 CZ2 TRP A 26 156.637 -3.183 9.736 1.00 0.00 C ATOM 421 CZ3 TRP A 26 155.107 -2.929 7.904 1.00 0.00 C ATOM 422 CH2 TRP A 26 156.319 -3.366 8.425 1.00 0.00 C ATOM 0 H TRP A 26 150.219 -0.484 9.790 1.00 0.00 H new ATOM 0 HA TRP A 26 151.707 -2.852 10.688 1.00 0.00 H new ATOM 0 HB2 TRP A 26 152.361 -0.157 10.262 1.00 0.00 H new ATOM 0 HB3 TRP A 26 152.245 -0.285 12.006 1.00 0.00 H new ATOM 0 HD1 TRP A 26 154.341 -1.237 13.217 1.00 0.00 H new ATOM 0 HE1 TRP A 26 156.525 -2.431 12.509 1.00 0.00 H new ATOM 0 HE3 TRP A 26 153.237 -1.958 8.280 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 157.581 -3.523 10.135 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 154.891 -3.091 6.858 1.00 0.00 H new ATOM 0 HH2 TRP A 26 157.025 -3.862 7.775 1.00 0.00 H new ATOM 433 N LYS A 27 149.235 -2.338 12.175 1.00 0.00 N ATOM 434 CA LYS A 27 148.407 -2.517 13.363 1.00 0.00 C ATOM 435 C LYS A 27 147.606 -3.816 13.282 1.00 0.00 C ATOM 436 O LYS A 27 146.731 -4.068 14.112 1.00 0.00 O ATOM 437 CB LYS A 27 147.460 -1.328 13.534 1.00 0.00 C ATOM 438 CG LYS A 27 146.624 -1.035 12.299 1.00 0.00 C ATOM 439 CD LYS A 27 145.324 -1.825 12.305 1.00 0.00 C ATOM 440 CE LYS A 27 144.151 -0.965 12.747 1.00 0.00 C ATOM 441 NZ LYS A 27 142.855 -1.687 12.619 1.00 0.00 N ATOM 0 H LYS A 27 148.739 -2.466 11.293 1.00 0.00 H new ATOM 0 HA LYS A 27 149.067 -2.574 14.229 1.00 0.00 H new ATOM 0 HB2 LYS A 27 146.795 -1.522 14.375 1.00 0.00 H new ATOM 0 HB3 LYS A 27 148.043 -0.443 13.786 1.00 0.00 H new ATOM 0 HG2 LYS A 27 146.403 0.031 12.253 1.00 0.00 H new ATOM 0 HG3 LYS A 27 147.196 -1.281 11.404 1.00 0.00 H new ATOM 0 HD2 LYS A 27 145.132 -2.219 11.307 1.00 0.00 H new ATOM 0 HD3 LYS A 27 145.421 -2.681 12.973 1.00 0.00 H new ATOM 0 HE2 LYS A 27 144.295 -0.659 13.783 1.00 0.00 H new ATOM 0 HE3 LYS A 27 144.121 -0.056 12.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 142.080 -1.067 12.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 142.705 -1.957 11.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 142.874 -2.542 13.211 1.00 0.00 H new ATOM 455 N LEU A 28 147.909 -4.640 12.282 1.00 0.00 N ATOM 456 CA LEU A 28 147.220 -5.912 12.098 1.00 0.00 C ATOM 457 C LEU A 28 148.108 -7.073 12.536 1.00 0.00 C ATOM 458 O LEU A 28 149.334 -6.953 12.552 1.00 0.00 O ATOM 459 CB LEU A 28 146.815 -6.086 10.632 1.00 0.00 C ATOM 460 CG LEU A 28 146.253 -4.830 9.959 1.00 0.00 C ATOM 461 CD1 LEU A 28 146.827 -4.667 8.560 1.00 0.00 C ATOM 462 CD2 LEU A 28 144.732 -4.888 9.907 1.00 0.00 C ATOM 0 H LEU A 28 148.629 -4.448 11.586 1.00 0.00 H new ATOM 0 HA LEU A 28 146.323 -5.909 12.717 1.00 0.00 H new ATOM 0 HB2 LEU A 28 147.685 -6.423 10.068 1.00 0.00 H new ATOM 0 HB3 LEU A 28 146.069 -6.878 10.569 1.00 0.00 H new ATOM 0 HG LEU A 28 146.546 -3.964 10.552 1.00 0.00 H new ATOM 0 HD11 LEU A 28 146.415 -3.769 8.100 1.00 0.00 H new ATOM 0 HD12 LEU A 28 147.912 -4.579 8.620 1.00 0.00 H new ATOM 0 HD13 LEU A 28 146.566 -5.536 7.956 1.00 0.00 H new ATOM 0 HD21 LEU A 28 144.350 -3.988 9.426 1.00 0.00 H new ATOM 0 HD22 LEU A 28 144.421 -5.764 9.338 1.00 0.00 H new ATOM 0 HD23 LEU A 28 144.336 -4.954 10.920 1.00 0.00 H new ATOM 474 N PRO A 29 147.505 -8.220 12.894 1.00 0.00 N ATOM 475 CA PRO A 29 148.255 -9.403 13.330 1.00 0.00 C ATOM 476 C PRO A 29 149.324 -9.810 12.322 1.00 0.00 C ATOM 477 O PRO A 29 150.517 -9.780 12.623 1.00 0.00 O ATOM 478 CB PRO A 29 147.182 -10.496 13.455 1.00 0.00 C ATOM 479 CG PRO A 29 145.980 -9.953 12.758 1.00 0.00 C ATOM 480 CD PRO A 29 146.058 -8.463 12.904 1.00 0.00 C ATOM 0 HA PRO A 29 148.794 -9.221 14.260 1.00 0.00 H new ATOM 0 HB2 PRO A 29 147.515 -11.427 12.997 1.00 0.00 H new ATOM 0 HB3 PRO A 29 146.964 -10.715 14.500 1.00 0.00 H new ATOM 0 HG2 PRO A 29 145.974 -10.243 11.707 1.00 0.00 H new ATOM 0 HG3 PRO A 29 145.063 -10.341 13.201 1.00 0.00 H new ATOM 0 HD2 PRO A 29 145.554 -7.948 12.086 1.00 0.00 H new ATOM 0 HD3 PRO A 29 145.595 -8.121 13.830 1.00 0.00 H new ATOM 488 N GLU A 30 148.890 -10.187 11.123 1.00 0.00 N ATOM 489 CA GLU A 30 149.814 -10.596 10.071 1.00 0.00 C ATOM 490 C GLU A 30 149.066 -10.926 8.783 1.00 0.00 C ATOM 491 O GLU A 30 149.527 -10.606 7.686 1.00 0.00 O ATOM 492 CB GLU A 30 150.631 -11.809 10.519 1.00 0.00 C ATOM 493 CG GLU A 30 149.790 -13.051 10.767 1.00 0.00 C ATOM 494 CD GLU A 30 150.625 -14.246 11.185 1.00 0.00 C ATOM 495 OE1 GLU A 30 151.189 -14.215 12.299 1.00 0.00 O ATOM 496 OE2 GLU A 30 150.714 -15.212 10.400 1.00 0.00 O ATOM 0 H GLU A 30 147.906 -10.218 10.856 1.00 0.00 H new ATOM 0 HA GLU A 30 150.489 -9.762 9.877 1.00 0.00 H new ATOM 0 HB2 GLU A 30 151.380 -12.033 9.759 1.00 0.00 H new ATOM 0 HB3 GLU A 30 151.170 -11.557 11.432 1.00 0.00 H new ATOM 0 HG2 GLU A 30 149.054 -12.838 11.542 1.00 0.00 H new ATOM 0 HG3 GLU A 30 149.237 -13.298 9.861 1.00 0.00 H new ATOM 503 N SER A 31 147.910 -11.568 8.922 1.00 0.00 N ATOM 504 CA SER A 31 147.099 -11.943 7.767 1.00 0.00 C ATOM 505 C SER A 31 146.788 -10.728 6.900 1.00 0.00 C ATOM 506 O SER A 31 147.232 -10.639 5.756 1.00 0.00 O ATOM 507 CB SER A 31 145.797 -12.603 8.226 1.00 0.00 C ATOM 508 OG SER A 31 146.028 -13.926 8.681 1.00 0.00 O ATOM 0 H SER A 31 147.514 -11.839 9.822 1.00 0.00 H new ATOM 0 HA SER A 31 147.670 -12.654 7.170 1.00 0.00 H new ATOM 0 HB2 SER A 31 145.349 -12.013 9.026 1.00 0.00 H new ATOM 0 HB3 SER A 31 145.083 -12.618 7.402 1.00 0.00 H new ATOM 0 HG SER A 31 145.181 -14.325 8.970 1.00 0.00 H new ATOM 514 N GLU A 32 146.024 -9.792 7.454 1.00 0.00 N ATOM 515 CA GLU A 32 145.657 -8.581 6.731 1.00 0.00 C ATOM 516 C GLU A 32 146.861 -7.655 6.576 1.00 0.00 C ATOM 517 O GLU A 32 146.912 -6.838 5.658 1.00 0.00 O ATOM 518 CB GLU A 32 144.524 -7.852 7.459 1.00 0.00 C ATOM 519 CG GLU A 32 143.235 -7.779 6.656 1.00 0.00 C ATOM 520 CD GLU A 32 142.766 -6.353 6.432 1.00 0.00 C ATOM 521 OE1 GLU A 32 142.462 -5.665 7.430 1.00 0.00 O ATOM 522 OE2 GLU A 32 142.703 -5.926 5.262 1.00 0.00 O ATOM 0 H GLU A 32 145.648 -9.849 8.400 1.00 0.00 H new ATOM 0 HA GLU A 32 145.314 -8.868 5.737 1.00 0.00 H new ATOM 0 HB2 GLU A 32 144.326 -8.357 8.404 1.00 0.00 H new ATOM 0 HB3 GLU A 32 144.850 -6.840 7.701 1.00 0.00 H new ATOM 0 HG2 GLU A 32 143.384 -8.264 5.691 1.00 0.00 H new ATOM 0 HG3 GLU A 32 142.456 -8.336 7.176 1.00 0.00 H new ATOM 529 N ARG A 33 147.827 -7.789 7.480 1.00 0.00 N ATOM 530 CA ARG A 33 149.031 -6.965 7.444 1.00 0.00 C ATOM 531 C ARG A 33 149.763 -7.122 6.115 1.00 0.00 C ATOM 532 O ARG A 33 149.795 -6.200 5.299 1.00 0.00 O ATOM 533 CB ARG A 33 149.962 -7.341 8.597 1.00 0.00 C ATOM 534 CG ARG A 33 151.247 -6.529 8.634 1.00 0.00 C ATOM 535 CD ARG A 33 151.992 -6.722 9.946 1.00 0.00 C ATOM 536 NE ARG A 33 152.776 -7.955 9.953 1.00 0.00 N ATOM 537 CZ ARG A 33 153.785 -8.187 10.789 1.00 0.00 C ATOM 538 NH1 ARG A 33 154.135 -7.275 11.689 1.00 0.00 N ATOM 539 NH2 ARG A 33 154.447 -9.334 10.727 1.00 0.00 N ATOM 0 H ARG A 33 147.799 -8.461 8.247 1.00 0.00 H new ATOM 0 HA ARG A 33 148.730 -5.923 7.550 1.00 0.00 H new ATOM 0 HB2 ARG A 33 149.431 -7.208 9.540 1.00 0.00 H new ATOM 0 HB3 ARG A 33 150.213 -8.399 8.520 1.00 0.00 H new ATOM 0 HG2 ARG A 33 151.889 -6.824 7.804 1.00 0.00 H new ATOM 0 HG3 ARG A 33 151.015 -5.473 8.498 1.00 0.00 H new ATOM 0 HD2 ARG A 33 152.652 -5.872 10.117 1.00 0.00 H new ATOM 0 HD3 ARG A 33 151.278 -6.742 10.769 1.00 0.00 H new ATOM 0 HE ARG A 33 152.536 -8.680 9.277 1.00 0.00 H new ATOM 0 HH11 ARG A 33 153.629 -6.391 11.742 1.00 0.00 H new ATOM 0 HH12 ARG A 33 154.909 -7.459 12.327 1.00 0.00 H new ATOM 0 HH21 ARG A 33 154.183 -10.039 10.038 1.00 0.00 H new ATOM 0 HH22 ARG A 33 155.220 -9.512 11.368 1.00 0.00 H new ATOM 553 N LYS A 34 150.354 -8.294 5.906 1.00 0.00 N ATOM 554 CA LYS A 34 151.092 -8.574 4.677 1.00 0.00 C ATOM 555 C LYS A 34 150.222 -8.354 3.442 1.00 0.00 C ATOM 556 O LYS A 34 150.734 -8.119 2.347 1.00 0.00 O ATOM 557 CB LYS A 34 151.620 -10.010 4.695 1.00 0.00 C ATOM 558 CG LYS A 34 152.704 -10.246 5.733 1.00 0.00 C ATOM 559 CD LYS A 34 152.448 -11.513 6.534 1.00 0.00 C ATOM 560 CE LYS A 34 153.630 -11.857 7.425 1.00 0.00 C ATOM 561 NZ LYS A 34 154.831 -12.238 6.631 1.00 0.00 N ATOM 0 H LYS A 34 150.337 -9.067 6.572 1.00 0.00 H new ATOM 0 HA LYS A 34 151.932 -7.881 4.626 1.00 0.00 H new ATOM 0 HB2 LYS A 34 150.791 -10.691 4.887 1.00 0.00 H new ATOM 0 HB3 LYS A 34 152.013 -10.256 3.709 1.00 0.00 H new ATOM 0 HG2 LYS A 34 153.673 -10.318 5.238 1.00 0.00 H new ATOM 0 HG3 LYS A 34 152.753 -9.392 6.408 1.00 0.00 H new ATOM 0 HD2 LYS A 34 151.555 -11.384 7.146 1.00 0.00 H new ATOM 0 HD3 LYS A 34 152.251 -12.341 5.853 1.00 0.00 H new ATOM 0 HE2 LYS A 34 153.869 -11.002 8.057 1.00 0.00 H new ATOM 0 HE3 LYS A 34 153.358 -12.678 8.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 155.517 -12.718 7.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 154.550 -12.878 5.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 155.266 -11.384 6.229 1.00 0.00 H new ATOM 575 N LYS A 35 148.908 -8.435 3.620 1.00 0.00 N ATOM 576 CA LYS A 35 147.974 -8.248 2.515 1.00 0.00 C ATOM 577 C LYS A 35 148.070 -6.834 1.946 1.00 0.00 C ATOM 578 O LYS A 35 147.974 -6.637 0.735 1.00 0.00 O ATOM 579 CB LYS A 35 146.543 -8.530 2.975 1.00 0.00 C ATOM 580 CG LYS A 35 146.122 -9.979 2.795 1.00 0.00 C ATOM 581 CD LYS A 35 144.612 -10.108 2.660 1.00 0.00 C ATOM 582 CE LYS A 35 144.074 -11.257 3.497 1.00 0.00 C ATOM 583 NZ LYS A 35 144.599 -12.574 3.038 1.00 0.00 N ATOM 0 H LYS A 35 148.465 -8.629 4.518 1.00 0.00 H new ATOM 0 HA LYS A 35 148.241 -8.953 1.727 1.00 0.00 H new ATOM 0 HB2 LYS A 35 146.448 -8.261 4.027 1.00 0.00 H new ATOM 0 HB3 LYS A 35 145.858 -7.889 2.419 1.00 0.00 H new ATOM 0 HG2 LYS A 35 146.604 -10.392 1.909 1.00 0.00 H new ATOM 0 HG3 LYS A 35 146.464 -10.567 3.647 1.00 0.00 H new ATOM 0 HD2 LYS A 35 144.137 -9.177 2.970 1.00 0.00 H new ATOM 0 HD3 LYS A 35 144.351 -10.266 1.613 1.00 0.00 H new ATOM 0 HE2 LYS A 35 144.345 -11.103 4.542 1.00 0.00 H new ATOM 0 HE3 LYS A 35 142.985 -11.263 3.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 144.156 -13.336 3.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 144.378 -12.704 2.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 145.630 -12.603 3.173 1.00 0.00 H new ATOM 597 N ILE A 36 148.258 -5.854 2.824 1.00 0.00 N ATOM 598 CA ILE A 36 148.363 -4.462 2.402 1.00 0.00 C ATOM 599 C ILE A 36 149.602 -4.239 1.541 1.00 0.00 C ATOM 600 O ILE A 36 149.547 -3.547 0.525 1.00 0.00 O ATOM 601 CB ILE A 36 148.413 -3.506 3.611 1.00 0.00 C ATOM 602 CG1 ILE A 36 147.260 -3.800 4.572 1.00 0.00 C ATOM 603 CG2 ILE A 36 148.363 -2.058 3.145 1.00 0.00 C ATOM 604 CD1 ILE A 36 145.896 -3.733 3.919 1.00 0.00 C ATOM 0 H ILE A 36 148.341 -5.998 3.830 1.00 0.00 H new ATOM 0 HA ILE A 36 147.471 -4.245 1.815 1.00 0.00 H new ATOM 0 HB ILE A 36 149.352 -3.666 4.141 1.00 0.00 H new ATOM 0 HG12 ILE A 36 147.400 -4.792 5.002 1.00 0.00 H new ATOM 0 HG13 ILE A 36 147.294 -3.088 5.397 1.00 0.00 H new ATOM 0 HG21 ILE A 36 148.399 -1.396 4.010 1.00 0.00 H new ATOM 0 HG22 ILE A 36 149.215 -1.855 2.497 1.00 0.00 H new ATOM 0 HG23 ILE A 36 147.439 -1.885 2.594 1.00 0.00 H new ATOM 0 HD11 ILE A 36 145.127 -3.952 4.660 1.00 0.00 H new ATOM 0 HD12 ILE A 36 145.735 -2.734 3.514 1.00 0.00 H new ATOM 0 HD13 ILE A 36 145.842 -4.465 3.113 1.00 0.00 H new ATOM 616 N ILE A 37 150.720 -4.828 1.954 1.00 0.00 N ATOM 617 CA ILE A 37 151.971 -4.691 1.219 1.00 0.00 C ATOM 618 C ILE A 37 152.014 -5.640 0.026 1.00 0.00 C ATOM 619 O ILE A 37 152.645 -5.347 -0.990 1.00 0.00 O ATOM 620 CB ILE A 37 153.190 -4.959 2.126 1.00 0.00 C ATOM 621 CG1 ILE A 37 153.135 -4.068 3.368 1.00 0.00 C ATOM 622 CG2 ILE A 37 154.485 -4.728 1.361 1.00 0.00 C ATOM 623 CD1 ILE A 37 152.324 -4.658 4.502 1.00 0.00 C ATOM 0 H ILE A 37 150.784 -5.404 2.793 1.00 0.00 H new ATOM 0 HA ILE A 37 152.017 -3.663 0.861 1.00 0.00 H new ATOM 0 HB ILE A 37 153.161 -6.001 2.446 1.00 0.00 H new ATOM 0 HG12 ILE A 37 154.151 -3.883 3.717 1.00 0.00 H new ATOM 0 HG13 ILE A 37 152.711 -3.102 3.093 1.00 0.00 H new ATOM 0 HG21 ILE A 37 155.334 -4.922 2.016 1.00 0.00 H new ATOM 0 HG22 ILE A 37 154.527 -5.401 0.505 1.00 0.00 H new ATOM 0 HG23 ILE A 37 154.523 -3.696 1.013 1.00 0.00 H new ATOM 0 HD11 ILE A 37 152.329 -3.972 5.349 1.00 0.00 H new ATOM 0 HD12 ILE A 37 151.298 -4.818 4.171 1.00 0.00 H new ATOM 0 HD13 ILE A 37 152.760 -5.610 4.804 1.00 0.00 H new ATOM 635 N ARG A 38 151.341 -6.778 0.156 1.00 0.00 N ATOM 636 CA ARG A 38 151.303 -7.769 -0.912 1.00 0.00 C ATOM 637 C ARG A 38 150.624 -7.206 -2.157 1.00 0.00 C ATOM 638 O ARG A 38 150.946 -7.593 -3.280 1.00 0.00 O ATOM 639 CB ARG A 38 150.569 -9.027 -0.443 1.00 0.00 C ATOM 640 CG ARG A 38 150.521 -10.129 -1.488 1.00 0.00 C ATOM 641 CD ARG A 38 149.324 -11.044 -1.285 1.00 0.00 C ATOM 642 NE ARG A 38 149.724 -12.437 -1.099 1.00 0.00 N ATOM 643 CZ ARG A 38 150.067 -13.249 -2.095 1.00 0.00 C ATOM 644 NH1 ARG A 38 150.062 -12.811 -3.349 1.00 0.00 N ATOM 645 NH2 ARG A 38 150.417 -14.501 -1.839 1.00 0.00 N ATOM 0 H ARG A 38 150.815 -7.037 0.990 1.00 0.00 H new ATOM 0 HA ARG A 38 152.330 -8.028 -1.167 1.00 0.00 H new ATOM 0 HB2 ARG A 38 151.057 -9.409 0.454 1.00 0.00 H new ATOM 0 HB3 ARG A 38 149.550 -8.760 -0.162 1.00 0.00 H new ATOM 0 HG2 ARG A 38 150.476 -9.686 -2.483 1.00 0.00 H new ATOM 0 HG3 ARG A 38 151.439 -10.715 -1.442 1.00 0.00 H new ATOM 0 HD2 ARG A 38 148.757 -10.711 -0.416 1.00 0.00 H new ATOM 0 HD3 ARG A 38 148.661 -10.969 -2.147 1.00 0.00 H new ATOM 0 HE ARG A 38 149.741 -12.809 -0.149 1.00 0.00 H new ATOM 0 HH11 ARG A 38 149.794 -11.848 -3.552 1.00 0.00 H new ATOM 0 HH12 ARG A 38 150.326 -13.438 -4.109 1.00 0.00 H new ATOM 0 HH21 ARG A 38 150.423 -14.842 -0.878 1.00 0.00 H new ATOM 0 HH22 ARG A 38 150.680 -15.123 -2.603 1.00 0.00 H new ATOM 659 N ARG A 39 149.684 -6.291 -1.949 1.00 0.00 N ATOM 660 CA ARG A 39 148.959 -5.675 -3.056 1.00 0.00 C ATOM 661 C ARG A 39 149.782 -4.560 -3.693 1.00 0.00 C ATOM 662 O ARG A 39 149.906 -4.488 -4.916 1.00 0.00 O ATOM 663 CB ARG A 39 147.616 -5.123 -2.568 1.00 0.00 C ATOM 664 CG ARG A 39 146.427 -5.988 -2.954 1.00 0.00 C ATOM 665 CD ARG A 39 146.587 -7.413 -2.448 1.00 0.00 C ATOM 666 NE ARG A 39 145.694 -8.341 -3.139 1.00 0.00 N ATOM 667 CZ ARG A 39 144.398 -8.465 -2.864 1.00 0.00 C ATOM 668 NH1 ARG A 39 143.839 -7.723 -1.916 1.00 0.00 N ATOM 669 NH2 ARG A 39 143.658 -9.333 -3.540 1.00 0.00 N ATOM 0 H ARG A 39 149.406 -5.959 -1.026 1.00 0.00 H new ATOM 0 HA ARG A 39 148.777 -6.441 -3.810 1.00 0.00 H new ATOM 0 HB2 ARG A 39 147.646 -5.024 -1.483 1.00 0.00 H new ATOM 0 HB3 ARG A 39 147.474 -4.122 -2.976 1.00 0.00 H new ATOM 0 HG2 ARG A 39 145.514 -5.556 -2.545 1.00 0.00 H new ATOM 0 HG3 ARG A 39 146.318 -5.996 -4.039 1.00 0.00 H new ATOM 0 HD2 ARG A 39 147.620 -7.733 -2.585 1.00 0.00 H new ATOM 0 HD3 ARG A 39 146.384 -7.443 -1.378 1.00 0.00 H new ATOM 0 HE ARG A 39 146.087 -8.928 -3.875 1.00 0.00 H new ATOM 0 HH11 ARG A 39 144.403 -7.053 -1.394 1.00 0.00 H new ATOM 0 HH12 ARG A 39 142.845 -7.823 -1.710 1.00 0.00 H new ATOM 0 HH21 ARG A 39 144.082 -9.905 -4.270 1.00 0.00 H new ATOM 0 HH22 ARG A 39 142.664 -9.429 -3.330 1.00 0.00 H new ATOM 683 N LEU A 40 150.342 -3.691 -2.858 1.00 0.00 N ATOM 684 CA LEU A 40 151.151 -2.579 -3.341 1.00 0.00 C ATOM 685 C LEU A 40 152.362 -3.082 -4.119 1.00 0.00 C ATOM 686 O LEU A 40 152.682 -2.568 -5.192 1.00 0.00 O ATOM 687 CB LEU A 40 151.609 -1.706 -2.169 1.00 0.00 C ATOM 688 CG LEU A 40 150.655 -0.569 -1.798 1.00 0.00 C ATOM 689 CD1 LEU A 40 150.483 0.386 -2.968 1.00 0.00 C ATOM 690 CD2 LEU A 40 149.308 -1.126 -1.360 1.00 0.00 C ATOM 0 H LEU A 40 150.250 -3.736 -1.843 1.00 0.00 H new ATOM 0 HA LEU A 40 150.535 -1.981 -4.012 1.00 0.00 H new ATOM 0 HB2 LEU A 40 151.749 -2.342 -1.295 1.00 0.00 H new ATOM 0 HB3 LEU A 40 152.582 -1.279 -2.412 1.00 0.00 H new ATOM 0 HG LEU A 40 151.086 -0.015 -0.964 1.00 0.00 H new ATOM 0 HD11 LEU A 40 149.801 1.188 -2.686 1.00 0.00 H new ATOM 0 HD12 LEU A 40 151.451 0.810 -3.237 1.00 0.00 H new ATOM 0 HD13 LEU A 40 150.074 -0.154 -3.822 1.00 0.00 H new ATOM 0 HD21 LEU A 40 148.642 -0.304 -1.100 1.00 0.00 H new ATOM 0 HD22 LEU A 40 148.871 -1.704 -2.175 1.00 0.00 H new ATOM 0 HD23 LEU A 40 149.446 -1.770 -0.492 1.00 0.00 H new ATOM 702 N TYR A 41 153.035 -4.090 -3.573 1.00 0.00 N ATOM 703 CA TYR A 41 154.212 -4.662 -4.218 1.00 0.00 C ATOM 704 C TYR A 41 153.832 -5.375 -5.511 1.00 0.00 C ATOM 705 O TYR A 41 154.612 -5.413 -6.464 1.00 0.00 O ATOM 706 CB TYR A 41 154.915 -5.636 -3.272 1.00 0.00 C ATOM 707 CG TYR A 41 156.289 -6.054 -3.745 1.00 0.00 C ATOM 708 CD1 TYR A 41 156.441 -6.914 -4.825 1.00 0.00 C ATOM 709 CD2 TYR A 41 157.435 -5.589 -3.111 1.00 0.00 C ATOM 710 CE1 TYR A 41 157.694 -7.298 -5.261 1.00 0.00 C ATOM 711 CE2 TYR A 41 158.692 -5.968 -3.542 1.00 0.00 C ATOM 712 CZ TYR A 41 158.816 -6.823 -4.616 1.00 0.00 C ATOM 713 OH TYR A 41 160.066 -7.204 -5.048 1.00 0.00 O ATOM 0 H TYR A 41 152.786 -4.527 -2.686 1.00 0.00 H new ATOM 0 HA TYR A 41 154.894 -3.847 -4.461 1.00 0.00 H new ATOM 0 HB2 TYR A 41 155.003 -5.174 -2.289 1.00 0.00 H new ATOM 0 HB3 TYR A 41 154.295 -6.525 -3.152 1.00 0.00 H new ATOM 0 HD1 TYR A 41 155.564 -7.289 -5.333 1.00 0.00 H new ATOM 0 HD2 TYR A 41 157.342 -4.921 -2.268 1.00 0.00 H new ATOM 0 HE1 TYR A 41 157.794 -7.967 -6.103 1.00 0.00 H new ATOM 0 HE2 TYR A 41 159.573 -5.596 -3.040 1.00 0.00 H new ATOM 0 HH TYR A 41 160.749 -6.780 -4.487 1.00 0.00 H new ATOM 723 N LEU A 42 152.630 -5.940 -5.538 1.00 0.00 N ATOM 724 CA LEU A 42 152.145 -6.652 -6.716 1.00 0.00 C ATOM 725 C LEU A 42 151.240 -5.758 -7.557 1.00 0.00 C ATOM 726 O LEU A 42 150.278 -6.227 -8.164 1.00 0.00 O ATOM 727 CB LEU A 42 151.389 -7.915 -6.299 1.00 0.00 C ATOM 728 CG LEU A 42 152.264 -9.037 -5.738 1.00 0.00 C ATOM 729 CD1 LEU A 42 151.403 -10.193 -5.252 1.00 0.00 C ATOM 730 CD2 LEU A 42 153.256 -9.514 -6.789 1.00 0.00 C ATOM 0 H LEU A 42 151.973 -5.919 -4.758 1.00 0.00 H new ATOM 0 HA LEU A 42 153.007 -6.936 -7.319 1.00 0.00 H new ATOM 0 HB2 LEU A 42 150.646 -7.644 -5.549 1.00 0.00 H new ATOM 0 HB3 LEU A 42 150.845 -8.297 -7.163 1.00 0.00 H new ATOM 0 HG LEU A 42 152.824 -8.646 -4.889 1.00 0.00 H new ATOM 0 HD11 LEU A 42 152.043 -10.982 -4.856 1.00 0.00 H new ATOM 0 HD12 LEU A 42 150.732 -9.842 -4.468 1.00 0.00 H new ATOM 0 HD13 LEU A 42 150.816 -10.584 -6.083 1.00 0.00 H new ATOM 0 HD21 LEU A 42 153.871 -10.312 -6.373 1.00 0.00 H new ATOM 0 HD22 LEU A 42 152.714 -9.888 -7.658 1.00 0.00 H new ATOM 0 HD23 LEU A 42 153.895 -8.684 -7.090 1.00 0.00 H new ATOM 742 N LYS A 43 151.556 -4.468 -7.587 1.00 0.00 N ATOM 743 CA LYS A 43 150.772 -3.506 -8.353 1.00 0.00 C ATOM 744 C LYS A 43 151.654 -2.379 -8.886 1.00 0.00 C ATOM 745 O LYS A 43 151.514 -1.960 -10.034 1.00 0.00 O ATOM 746 CB LYS A 43 149.651 -2.927 -7.487 1.00 0.00 C ATOM 747 CG LYS A 43 148.584 -2.195 -8.285 1.00 0.00 C ATOM 748 CD LYS A 43 148.543 -0.715 -7.941 1.00 0.00 C ATOM 749 CE LYS A 43 147.893 0.098 -9.049 1.00 0.00 C ATOM 750 NZ LYS A 43 146.411 0.137 -8.913 1.00 0.00 N ATOM 0 H LYS A 43 152.350 -4.064 -7.090 1.00 0.00 H new ATOM 0 HA LYS A 43 150.334 -4.029 -9.203 1.00 0.00 H new ATOM 0 HB2 LYS A 43 149.183 -3.735 -6.925 1.00 0.00 H new ATOM 0 HB3 LYS A 43 150.083 -2.241 -6.758 1.00 0.00 H new ATOM 0 HG2 LYS A 43 148.779 -2.316 -9.351 1.00 0.00 H new ATOM 0 HG3 LYS A 43 147.610 -2.642 -8.087 1.00 0.00 H new ATOM 0 HD2 LYS A 43 147.991 -0.572 -7.012 1.00 0.00 H new ATOM 0 HD3 LYS A 43 149.556 -0.352 -7.769 1.00 0.00 H new ATOM 0 HE2 LYS A 43 148.286 1.115 -9.032 1.00 0.00 H new ATOM 0 HE3 LYS A 43 148.158 -0.330 -10.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 146.006 0.701 -9.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 146.033 -0.831 -8.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 146.157 0.568 -8.001 1.00 0.00 H new ATOM 764 N TRP A 44 152.561 -1.893 -8.044 1.00 0.00 N ATOM 765 CA TRP A 44 153.465 -0.815 -8.433 1.00 0.00 C ATOM 766 C TRP A 44 154.799 -1.368 -8.926 1.00 0.00 C ATOM 767 O TRP A 44 155.843 -0.739 -8.753 1.00 0.00 O ATOM 768 CB TRP A 44 153.701 0.130 -7.252 1.00 0.00 C ATOM 769 CG TRP A 44 152.553 1.056 -6.989 1.00 0.00 C ATOM 770 CD1 TRP A 44 151.495 0.834 -6.155 1.00 0.00 C ATOM 771 CD2 TRP A 44 152.347 2.351 -7.564 1.00 0.00 C ATOM 772 NE1 TRP A 44 150.645 1.913 -6.176 1.00 0.00 N ATOM 773 CE2 TRP A 44 151.147 2.857 -7.034 1.00 0.00 C ATOM 774 CE3 TRP A 44 153.062 3.132 -8.476 1.00 0.00 C ATOM 775 CZ2 TRP A 44 150.648 4.108 -7.386 1.00 0.00 C ATOM 776 CZ3 TRP A 44 152.563 4.374 -8.821 1.00 0.00 C ATOM 777 CH2 TRP A 44 151.367 4.850 -8.277 1.00 0.00 C ATOM 0 H TRP A 44 152.690 -2.228 -7.089 1.00 0.00 H new ATOM 0 HA TRP A 44 152.998 -0.263 -9.249 1.00 0.00 H new ATOM 0 HB2 TRP A 44 153.893 -0.461 -6.357 1.00 0.00 H new ATOM 0 HB3 TRP A 44 154.597 0.720 -7.443 1.00 0.00 H new ATOM 0 HD1 TRP A 44 151.348 -0.059 -5.565 1.00 0.00 H new ATOM 0 HE1 TRP A 44 149.781 1.998 -5.640 1.00 0.00 H new ATOM 0 HE3 TRP A 44 153.986 2.772 -8.903 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 149.724 4.478 -6.968 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 153.107 4.988 -9.524 1.00 0.00 H new ATOM 0 HH2 TRP A 44 151.005 5.825 -8.568 1.00 0.00 H new ATOM 788 N HIS A 45 154.760 -2.546 -9.541 1.00 0.00 N ATOM 789 CA HIS A 45 155.968 -3.177 -10.058 1.00 0.00 C ATOM 790 C HIS A 45 156.290 -2.663 -11.462 1.00 0.00 C ATOM 791 O HIS A 45 155.442 -2.709 -12.354 1.00 0.00 O ATOM 792 CB HIS A 45 155.802 -4.698 -10.082 1.00 0.00 C ATOM 793 CG HIS A 45 156.999 -5.438 -9.569 1.00 0.00 C ATOM 794 ND1 HIS A 45 158.251 -5.328 -10.135 1.00 0.00 N ATOM 795 CD2 HIS A 45 157.130 -6.303 -8.535 1.00 0.00 C ATOM 796 CE1 HIS A 45 159.101 -6.092 -9.473 1.00 0.00 C ATOM 797 NE2 HIS A 45 158.446 -6.693 -8.497 1.00 0.00 N ATOM 0 H HIS A 45 153.906 -3.082 -9.693 1.00 0.00 H new ATOM 0 HA HIS A 45 156.797 -2.920 -9.398 1.00 0.00 H new ATOM 0 HB2 HIS A 45 154.933 -4.970 -9.484 1.00 0.00 H new ATOM 0 HB3 HIS A 45 155.598 -5.017 -11.104 1.00 0.00 H new ATOM 0 HD2 HIS A 45 156.346 -6.626 -7.866 1.00 0.00 H new ATOM 0 HE1 HIS A 45 160.152 -6.206 -9.693 1.00 0.00 H new ATOM 0 HE2 HIS A 45 158.852 -7.342 -7.823 1.00 0.00 H new ATOM 806 N PRO A 46 157.521 -2.164 -11.680 1.00 0.00 N ATOM 807 CA PRO A 46 157.940 -1.644 -12.987 1.00 0.00 C ATOM 808 C PRO A 46 157.926 -2.717 -14.072 1.00 0.00 C ATOM 809 O PRO A 46 157.825 -2.410 -15.260 1.00 0.00 O ATOM 810 CB PRO A 46 159.369 -1.148 -12.742 1.00 0.00 C ATOM 811 CG PRO A 46 159.825 -1.870 -11.521 1.00 0.00 C ATOM 812 CD PRO A 46 158.598 -2.068 -10.680 1.00 0.00 C ATOM 0 HA PRO A 46 157.265 -0.867 -13.346 1.00 0.00 H new ATOM 0 HB2 PRO A 46 160.014 -1.366 -13.593 1.00 0.00 H new ATOM 0 HB3 PRO A 46 159.392 -0.068 -12.594 1.00 0.00 H new ATOM 0 HG2 PRO A 46 160.280 -2.826 -11.779 1.00 0.00 H new ATOM 0 HG3 PRO A 46 160.578 -1.293 -10.984 1.00 0.00 H new ATOM 0 HD2 PRO A 46 158.666 -2.971 -10.073 1.00 0.00 H new ATOM 0 HD3 PRO A 46 158.440 -1.235 -9.995 1.00 0.00 H new ATOM 820 N ASP A 47 158.030 -3.977 -13.658 1.00 0.00 N ATOM 821 CA ASP A 47 158.030 -5.095 -14.596 1.00 0.00 C ATOM 822 C ASP A 47 156.803 -5.050 -15.502 1.00 0.00 C ATOM 823 O ASP A 47 156.870 -5.418 -16.674 1.00 0.00 O ATOM 824 CB ASP A 47 158.074 -6.424 -13.836 1.00 0.00 C ATOM 825 CG ASP A 47 159.338 -7.211 -14.118 1.00 0.00 C ATOM 826 OD1 ASP A 47 159.495 -7.690 -15.260 1.00 0.00 O ATOM 827 OD2 ASP A 47 160.172 -7.344 -13.197 1.00 0.00 O ATOM 0 H ASP A 47 158.115 -4.249 -12.679 1.00 0.00 H new ATOM 0 HA ASP A 47 158.919 -5.012 -15.221 1.00 0.00 H new ATOM 0 HB2 ASP A 47 158.002 -6.230 -12.766 1.00 0.00 H new ATOM 0 HB3 ASP A 47 157.207 -7.025 -14.110 1.00 0.00 H new ATOM 832 N LYS A 48 155.682 -4.593 -14.951 1.00 0.00 N ATOM 833 CA LYS A 48 154.441 -4.498 -15.711 1.00 0.00 C ATOM 834 C LYS A 48 154.188 -3.062 -16.160 1.00 0.00 C ATOM 835 O LYS A 48 153.040 -2.639 -16.301 1.00 0.00 O ATOM 836 CB LYS A 48 153.264 -4.996 -14.869 1.00 0.00 C ATOM 837 CG LYS A 48 153.232 -6.507 -14.702 1.00 0.00 C ATOM 838 CD LYS A 48 152.242 -7.157 -15.658 1.00 0.00 C ATOM 839 CE LYS A 48 152.940 -8.087 -16.639 1.00 0.00 C ATOM 840 NZ LYS A 48 153.394 -9.346 -15.984 1.00 0.00 N ATOM 0 H LYS A 48 155.608 -4.283 -13.982 1.00 0.00 H new ATOM 0 HA LYS A 48 154.537 -5.126 -16.597 1.00 0.00 H new ATOM 0 HB2 LYS A 48 153.310 -4.531 -13.884 1.00 0.00 H new ATOM 0 HB3 LYS A 48 152.333 -4.670 -15.332 1.00 0.00 H new ATOM 0 HG2 LYS A 48 154.228 -6.914 -14.877 1.00 0.00 H new ATOM 0 HG3 LYS A 48 152.963 -6.754 -13.675 1.00 0.00 H new ATOM 0 HD2 LYS A 48 151.500 -7.718 -15.089 1.00 0.00 H new ATOM 0 HD3 LYS A 48 151.705 -6.384 -16.208 1.00 0.00 H new ATOM 0 HE2 LYS A 48 152.261 -8.328 -17.457 1.00 0.00 H new ATOM 0 HE3 LYS A 48 153.797 -7.576 -17.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 153.864 -9.952 -16.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 154.062 -9.119 -15.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 152.573 -9.847 -15.588 1.00 0.00 H new ATOM 854 N ASN A 49 155.266 -2.319 -16.381 1.00 0.00 N ATOM 855 CA ASN A 49 155.163 -0.929 -16.814 1.00 0.00 C ATOM 856 C ASN A 49 156.188 -0.621 -17.902 1.00 0.00 C ATOM 857 O ASN A 49 157.231 -0.025 -17.634 1.00 0.00 O ATOM 858 CB ASN A 49 155.364 0.013 -15.625 1.00 0.00 C ATOM 859 CG ASN A 49 154.260 -0.114 -14.594 1.00 0.00 C ATOM 860 OD1 ASN A 49 153.093 -0.308 -14.937 1.00 0.00 O ATOM 861 ND2 ASN A 49 154.624 -0.004 -13.321 1.00 0.00 N ATOM 0 H ASN A 49 156.222 -2.655 -16.268 1.00 0.00 H new ATOM 0 HA ASN A 49 154.166 -0.775 -17.226 1.00 0.00 H new ATOM 0 HB2 ASN A 49 156.324 -0.200 -15.154 1.00 0.00 H new ATOM 0 HB3 ASN A 49 155.406 1.042 -15.983 1.00 0.00 H new ATOM 0 HD21 ASN A 49 153.925 -0.080 -12.582 1.00 0.00 H new ATOM 0 HD22 ASN A 49 155.603 0.157 -13.082 1.00 0.00 H new ATOM 868 N PRO A 50 155.905 -1.032 -19.150 1.00 0.00 N ATOM 869 CA PRO A 50 156.808 -0.803 -20.284 1.00 0.00 C ATOM 870 C PRO A 50 157.074 0.678 -20.532 1.00 0.00 C ATOM 871 O PRO A 50 158.126 1.049 -21.053 1.00 0.00 O ATOM 872 CB PRO A 50 156.060 -1.415 -21.476 1.00 0.00 C ATOM 873 CG PRO A 50 155.072 -2.354 -20.875 1.00 0.00 C ATOM 874 CD PRO A 50 154.687 -1.755 -19.553 1.00 0.00 C ATOM 0 HA PRO A 50 157.789 -1.243 -20.108 1.00 0.00 H new ATOM 0 HB2 PRO A 50 155.563 -0.645 -22.067 1.00 0.00 H new ATOM 0 HB3 PRO A 50 156.744 -1.938 -22.144 1.00 0.00 H new ATOM 0 HG2 PRO A 50 154.201 -2.470 -21.520 1.00 0.00 H new ATOM 0 HG3 PRO A 50 155.505 -3.345 -20.743 1.00 0.00 H new ATOM 0 HD2 PRO A 50 153.832 -1.085 -19.647 1.00 0.00 H new ATOM 0 HD3 PRO A 50 154.413 -2.521 -18.827 1.00 0.00 H new ATOM 882 N GLU A 51 156.116 1.523 -20.161 1.00 0.00 N ATOM 883 CA GLU A 51 156.255 2.963 -20.352 1.00 0.00 C ATOM 884 C GLU A 51 156.386 3.691 -19.017 1.00 0.00 C ATOM 885 O GLU A 51 157.270 4.529 -18.842 1.00 0.00 O ATOM 886 CB GLU A 51 155.060 3.523 -21.134 1.00 0.00 C ATOM 887 CG GLU A 51 153.758 2.773 -20.894 1.00 0.00 C ATOM 888 CD GLU A 51 152.536 3.642 -21.122 1.00 0.00 C ATOM 889 OE1 GLU A 51 152.418 4.224 -22.221 1.00 0.00 O ATOM 890 OE2 GLU A 51 151.698 3.741 -20.202 1.00 0.00 O ATOM 0 H GLU A 51 155.238 1.237 -19.728 1.00 0.00 H new ATOM 0 HA GLU A 51 157.167 3.130 -20.925 1.00 0.00 H new ATOM 0 HB2 GLU A 51 154.920 4.570 -20.863 1.00 0.00 H new ATOM 0 HB3 GLU A 51 155.291 3.497 -22.199 1.00 0.00 H new ATOM 0 HG2 GLU A 51 153.713 1.908 -21.556 1.00 0.00 H new ATOM 0 HG3 GLU A 51 153.744 2.393 -19.872 1.00 0.00 H new ATOM 897 N ASN A 52 155.503 3.369 -18.077 1.00 0.00 N ATOM 898 CA ASN A 52 155.527 3.999 -16.762 1.00 0.00 C ATOM 899 C ASN A 52 156.509 3.291 -15.833 1.00 0.00 C ATOM 900 O ASN A 52 156.124 2.760 -14.791 1.00 0.00 O ATOM 901 CB ASN A 52 154.126 3.999 -16.145 1.00 0.00 C ATOM 902 CG ASN A 52 153.483 2.625 -16.163 1.00 0.00 C ATOM 903 OD1 ASN A 52 153.624 1.873 -17.127 1.00 0.00 O ATOM 904 ND2 ASN A 52 152.772 2.291 -15.093 1.00 0.00 N ATOM 0 H ASN A 52 154.764 2.677 -18.201 1.00 0.00 H new ATOM 0 HA ASN A 52 155.858 5.030 -16.889 1.00 0.00 H new ATOM 0 HB2 ASN A 52 154.185 4.355 -15.117 1.00 0.00 H new ATOM 0 HB3 ASN A 52 153.493 4.700 -16.689 1.00 0.00 H new ATOM 0 HD21 ASN A 52 152.316 1.380 -15.048 1.00 0.00 H new ATOM 0 HD22 ASN A 52 152.681 2.946 -14.316 1.00 0.00 H new ATOM 911 N HIS A 53 157.780 3.288 -16.220 1.00 0.00 N ATOM 912 CA HIS A 53 158.821 2.646 -15.423 1.00 0.00 C ATOM 913 C HIS A 53 159.426 3.623 -14.416 1.00 0.00 C ATOM 914 O HIS A 53 160.081 3.212 -13.457 1.00 0.00 O ATOM 915 CB HIS A 53 159.918 2.082 -16.329 1.00 0.00 C ATOM 916 CG HIS A 53 160.360 3.030 -17.401 1.00 0.00 C ATOM 917 ND1 HIS A 53 160.639 4.354 -17.354 1.00 0.00 N flip ATOM 918 CD2 HIS A 53 160.563 2.644 -18.710 1.00 0.00 C flip ATOM 919 CE1 HIS A 53 161.002 4.739 -18.621 1.00 0.00 C flip ATOM 920 NE2 HIS A 53 160.948 3.690 -19.420 1.00 0.00 N flip ATOM 0 H HIS A 53 158.115 3.722 -17.080 1.00 0.00 H new ATOM 0 HA HIS A 53 158.360 1.827 -14.871 1.00 0.00 H new ATOM 0 HB2 HIS A 53 160.779 1.812 -15.717 1.00 0.00 H new ATOM 0 HB3 HIS A 53 159.557 1.165 -16.794 1.00 0.00 H new ATOM 0 HD2 HIS A 53 160.428 1.644 -19.094 1.00 0.00 H new ATOM 0 HE1 HIS A 53 161.286 5.738 -18.916 1.00 0.00 H new ATOM 0 HE2 HIS A 53 161.166 3.687 -20.416 1.00 0.00 H new ATOM 929 N ASP A 54 159.207 4.917 -14.637 1.00 0.00 N ATOM 930 CA ASP A 54 159.735 5.944 -13.746 1.00 0.00 C ATOM 931 C ASP A 54 158.794 6.181 -12.569 1.00 0.00 C ATOM 932 O ASP A 54 159.236 6.384 -11.439 1.00 0.00 O ATOM 933 CB ASP A 54 159.951 7.251 -14.511 1.00 0.00 C ATOM 934 CG ASP A 54 160.837 8.223 -13.756 1.00 0.00 C ATOM 935 OD1 ASP A 54 161.996 7.866 -13.464 1.00 0.00 O ATOM 936 OD2 ASP A 54 160.369 9.342 -13.458 1.00 0.00 O ATOM 0 H ASP A 54 158.668 5.278 -15.424 1.00 0.00 H new ATOM 0 HA ASP A 54 160.692 5.595 -13.358 1.00 0.00 H new ATOM 0 HB2 ASP A 54 160.400 7.032 -15.480 1.00 0.00 H new ATOM 0 HB3 ASP A 54 158.986 7.719 -14.705 1.00 0.00 H new ATOM 941 N ILE A 55 157.494 6.157 -12.843 1.00 0.00 N ATOM 942 CA ILE A 55 156.490 6.370 -11.806 1.00 0.00 C ATOM 943 C ILE A 55 156.518 5.247 -10.776 1.00 0.00 C ATOM 944 O ILE A 55 156.440 5.492 -9.573 1.00 0.00 O ATOM 945 CB ILE A 55 155.073 6.468 -12.407 1.00 0.00 C ATOM 946 CG1 ILE A 55 155.049 7.483 -13.551 1.00 0.00 C ATOM 947 CG2 ILE A 55 154.066 6.849 -11.332 1.00 0.00 C ATOM 948 CD1 ILE A 55 155.506 8.866 -13.142 1.00 0.00 C ATOM 0 H ILE A 55 157.111 5.992 -13.774 1.00 0.00 H new ATOM 0 HA ILE A 55 156.734 7.313 -11.317 1.00 0.00 H new ATOM 0 HB ILE A 55 154.796 5.492 -12.807 1.00 0.00 H new ATOM 0 HG12 ILE A 55 155.686 7.123 -14.359 1.00 0.00 H new ATOM 0 HG13 ILE A 55 154.036 7.547 -13.948 1.00 0.00 H new ATOM 0 HG21 ILE A 55 153.071 6.914 -11.772 1.00 0.00 H new ATOM 0 HG22 ILE A 55 154.067 6.092 -10.548 1.00 0.00 H new ATOM 0 HG23 ILE A 55 154.338 7.814 -10.905 1.00 0.00 H new ATOM 0 HD11 ILE A 55 155.463 9.533 -14.003 1.00 0.00 H new ATOM 0 HD12 ILE A 55 154.855 9.247 -12.355 1.00 0.00 H new ATOM 0 HD13 ILE A 55 156.530 8.816 -12.772 1.00 0.00 H new ATOM 960 N ALA A 56 156.629 4.012 -11.256 1.00 0.00 N ATOM 961 CA ALA A 56 156.667 2.851 -10.376 1.00 0.00 C ATOM 962 C ALA A 56 157.896 2.882 -9.475 1.00 0.00 C ATOM 963 O ALA A 56 157.798 2.668 -8.267 1.00 0.00 O ATOM 964 CB ALA A 56 156.643 1.569 -11.195 1.00 0.00 C ATOM 0 H ALA A 56 156.694 3.790 -12.250 1.00 0.00 H new ATOM 0 HA ALA A 56 155.783 2.881 -9.739 1.00 0.00 H new ATOM 0 HB1 ALA A 56 156.672 0.709 -10.526 1.00 0.00 H new ATOM 0 HB2 ALA A 56 155.731 1.535 -11.791 1.00 0.00 H new ATOM 0 HB3 ALA A 56 157.509 1.543 -11.856 1.00 0.00 H new ATOM 970 N ASN A 57 159.054 3.152 -10.071 1.00 0.00 N ATOM 971 CA ASN A 57 160.303 3.211 -9.321 1.00 0.00 C ATOM 972 C ASN A 57 160.234 4.271 -8.226 1.00 0.00 C ATOM 973 O ASN A 57 160.800 4.102 -7.146 1.00 0.00 O ATOM 974 CB ASN A 57 161.473 3.508 -10.263 1.00 0.00 C ATOM 975 CG ASN A 57 162.635 2.555 -10.059 1.00 0.00 C ATOM 976 OD1 ASN A 57 162.442 1.357 -9.856 1.00 0.00 O ATOM 977 ND2 ASN A 57 163.851 3.085 -10.112 1.00 0.00 N ATOM 0 H ASN A 57 159.153 3.333 -11.070 1.00 0.00 H new ATOM 0 HA ASN A 57 160.461 2.241 -8.850 1.00 0.00 H new ATOM 0 HB2 ASN A 57 161.130 3.443 -11.296 1.00 0.00 H new ATOM 0 HB3 ASN A 57 161.813 4.531 -10.104 1.00 0.00 H new ATOM 0 HD21 ASN A 57 164.671 2.493 -9.982 1.00 0.00 H new ATOM 0 HD22 ASN A 57 163.965 4.084 -10.283 1.00 0.00 H new ATOM 984 N GLU A 58 159.535 5.365 -8.512 1.00 0.00 N ATOM 985 CA GLU A 58 159.390 6.453 -7.551 1.00 0.00 C ATOM 986 C GLU A 58 158.573 6.007 -6.342 1.00 0.00 C ATOM 987 O GLU A 58 158.964 6.239 -5.198 1.00 0.00 O ATOM 988 CB GLU A 58 158.726 7.660 -8.216 1.00 0.00 C ATOM 989 CG GLU A 58 159.400 8.983 -7.885 1.00 0.00 C ATOM 990 CD GLU A 58 160.105 9.593 -9.081 1.00 0.00 C ATOM 991 OE1 GLU A 58 161.244 9.175 -9.377 1.00 0.00 O ATOM 992 OE2 GLU A 58 159.519 10.491 -9.722 1.00 0.00 O ATOM 0 H GLU A 58 159.060 5.522 -9.401 1.00 0.00 H new ATOM 0 HA GLU A 58 160.384 6.738 -7.207 1.00 0.00 H new ATOM 0 HB2 GLU A 58 158.733 7.518 -9.297 1.00 0.00 H new ATOM 0 HB3 GLU A 58 157.682 7.706 -7.907 1.00 0.00 H new ATOM 0 HG2 GLU A 58 158.653 9.684 -7.512 1.00 0.00 H new ATOM 0 HG3 GLU A 58 160.121 8.828 -7.083 1.00 0.00 H new ATOM 999 N VAL A 59 157.439 5.367 -6.604 1.00 0.00 N ATOM 1000 CA VAL A 59 156.567 4.890 -5.538 1.00 0.00 C ATOM 1001 C VAL A 59 157.197 3.715 -4.796 1.00 0.00 C ATOM 1002 O VAL A 59 156.975 3.535 -3.598 1.00 0.00 O ATOM 1003 CB VAL A 59 155.193 4.459 -6.087 1.00 0.00 C ATOM 1004 CG1 VAL A 59 154.242 4.123 -4.947 1.00 0.00 C ATOM 1005 CG2 VAL A 59 154.609 5.548 -6.975 1.00 0.00 C ATOM 0 H VAL A 59 157.102 5.167 -7.546 1.00 0.00 H new ATOM 0 HA VAL A 59 156.429 5.721 -4.846 1.00 0.00 H new ATOM 0 HB VAL A 59 155.329 3.562 -6.691 1.00 0.00 H new ATOM 0 HG11 VAL A 59 153.277 3.821 -5.355 1.00 0.00 H new ATOM 0 HG12 VAL A 59 154.657 3.307 -4.355 1.00 0.00 H new ATOM 0 HG13 VAL A 59 154.109 5.000 -4.313 1.00 0.00 H new ATOM 0 HG21 VAL A 59 153.639 5.227 -7.354 1.00 0.00 H new ATOM 0 HG22 VAL A 59 154.488 6.463 -6.396 1.00 0.00 H new ATOM 0 HG23 VAL A 59 155.282 5.735 -7.812 1.00 0.00 H new ATOM 1015 N PHE A 60 157.984 2.919 -5.513 1.00 0.00 N ATOM 1016 CA PHE A 60 158.646 1.764 -4.920 1.00 0.00 C ATOM 1017 C PHE A 60 159.709 2.201 -3.917 1.00 0.00 C ATOM 1018 O PHE A 60 159.891 1.570 -2.876 1.00 0.00 O ATOM 1019 CB PHE A 60 159.278 0.896 -6.010 1.00 0.00 C ATOM 1020 CG PHE A 60 158.918 -0.560 -5.906 1.00 0.00 C ATOM 1021 CD1 PHE A 60 158.917 -1.201 -4.678 1.00 0.00 C ATOM 1022 CD2 PHE A 60 158.583 -1.286 -7.037 1.00 0.00 C ATOM 1023 CE1 PHE A 60 158.587 -2.539 -4.579 1.00 0.00 C ATOM 1024 CE2 PHE A 60 158.252 -2.625 -6.945 1.00 0.00 C ATOM 1025 CZ PHE A 60 158.254 -3.251 -5.714 1.00 0.00 C ATOM 0 H PHE A 60 158.178 3.053 -6.505 1.00 0.00 H new ATOM 0 HA PHE A 60 157.895 1.178 -4.391 1.00 0.00 H new ATOM 0 HB2 PHE A 60 158.967 1.269 -6.986 1.00 0.00 H new ATOM 0 HB3 PHE A 60 160.362 0.998 -5.960 1.00 0.00 H new ATOM 0 HD1 PHE A 60 159.177 -0.648 -3.787 1.00 0.00 H new ATOM 0 HD2 PHE A 60 158.580 -0.800 -8.002 1.00 0.00 H new ATOM 0 HE1 PHE A 60 158.590 -3.027 -3.616 1.00 0.00 H new ATOM 0 HE2 PHE A 60 157.992 -3.180 -7.834 1.00 0.00 H new ATOM 0 HZ PHE A 60 157.995 -4.297 -5.639 1.00 0.00 H new ATOM 1035 N LYS A 61 160.410 3.283 -4.239 1.00 0.00 N ATOM 1036 CA LYS A 61 161.456 3.805 -3.368 1.00 0.00 C ATOM 1037 C LYS A 61 160.893 4.173 -1.998 1.00 0.00 C ATOM 1038 O LYS A 61 161.519 3.915 -0.970 1.00 0.00 O ATOM 1039 CB LYS A 61 162.118 5.027 -4.006 1.00 0.00 C ATOM 1040 CG LYS A 61 163.170 4.676 -5.046 1.00 0.00 C ATOM 1041 CD LYS A 61 164.285 5.710 -5.084 1.00 0.00 C ATOM 1042 CE LYS A 61 165.217 5.479 -6.262 1.00 0.00 C ATOM 1043 NZ LYS A 61 166.069 6.668 -6.537 1.00 0.00 N ATOM 0 H LYS A 61 160.272 3.816 -5.098 1.00 0.00 H new ATOM 0 HA LYS A 61 162.204 3.024 -3.234 1.00 0.00 H new ATOM 0 HB2 LYS A 61 161.350 5.644 -4.472 1.00 0.00 H new ATOM 0 HB3 LYS A 61 162.579 5.630 -3.224 1.00 0.00 H new ATOM 0 HG2 LYS A 61 163.590 3.695 -4.823 1.00 0.00 H new ATOM 0 HG3 LYS A 61 162.703 4.607 -6.028 1.00 0.00 H new ATOM 0 HD2 LYS A 61 163.854 6.709 -5.150 1.00 0.00 H new ATOM 0 HD3 LYS A 61 164.854 5.668 -4.155 1.00 0.00 H new ATOM 0 HE2 LYS A 61 165.852 4.617 -6.059 1.00 0.00 H new ATOM 0 HE3 LYS A 61 164.629 5.241 -7.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 166.690 6.470 -7.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 165.464 7.485 -6.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 166.649 6.881 -5.700 1.00 0.00 H new ATOM 1057 N HIS A 62 159.709 4.775 -1.994 1.00 0.00 N ATOM 1058 CA HIS A 62 159.062 5.178 -0.751 1.00 0.00 C ATOM 1059 C HIS A 62 158.348 3.997 -0.100 1.00 0.00 C ATOM 1060 O HIS A 62 158.238 3.922 1.124 1.00 0.00 O ATOM 1061 CB HIS A 62 158.065 6.308 -1.012 1.00 0.00 C ATOM 1062 CG HIS A 62 157.400 6.820 0.227 1.00 0.00 C ATOM 1063 ND1 HIS A 62 158.063 6.982 1.426 1.00 0.00 N ATOM 1064 CD2 HIS A 62 156.122 7.209 0.451 1.00 0.00 C ATOM 1065 CE1 HIS A 62 157.222 7.446 2.333 1.00 0.00 C ATOM 1066 NE2 HIS A 62 156.039 7.593 1.767 1.00 0.00 N ATOM 0 H HIS A 62 159.178 4.995 -2.837 1.00 0.00 H new ATOM 0 HA HIS A 62 159.835 5.534 -0.069 1.00 0.00 H new ATOM 0 HB2 HIS A 62 158.583 7.132 -1.503 1.00 0.00 H new ATOM 0 HB3 HIS A 62 157.301 5.954 -1.704 1.00 0.00 H new ATOM 0 HD2 HIS A 62 155.318 7.216 -0.271 1.00 0.00 H new ATOM 0 HE1 HIS A 62 157.462 7.667 3.363 1.00 0.00 H new ATOM 0 HE2 HIS A 62 155.199 7.936 2.232 1.00 0.00 H new ATOM 1075 N LEU A 63 157.866 3.076 -0.927 1.00 0.00 N ATOM 1076 CA LEU A 63 157.161 1.898 -0.434 1.00 0.00 C ATOM 1077 C LEU A 63 158.106 0.974 0.329 1.00 0.00 C ATOM 1078 O LEU A 63 157.688 0.255 1.235 1.00 0.00 O ATOM 1079 CB LEU A 63 156.518 1.140 -1.597 1.00 0.00 C ATOM 1080 CG LEU A 63 155.642 -0.047 -1.190 1.00 0.00 C ATOM 1081 CD1 LEU A 63 154.190 0.384 -1.055 1.00 0.00 C ATOM 1082 CD2 LEU A 63 155.773 -1.178 -2.199 1.00 0.00 C ATOM 0 H LEU A 63 157.951 3.122 -1.942 1.00 0.00 H new ATOM 0 HA LEU A 63 156.381 2.233 0.250 1.00 0.00 H new ATOM 0 HB2 LEU A 63 155.912 1.838 -2.175 1.00 0.00 H new ATOM 0 HB3 LEU A 63 157.307 0.780 -2.257 1.00 0.00 H new ATOM 0 HG LEU A 63 155.984 -0.411 -0.221 1.00 0.00 H new ATOM 0 HD11 LEU A 63 153.582 -0.473 -0.765 1.00 0.00 H new ATOM 0 HD12 LEU A 63 154.110 1.160 -0.294 1.00 0.00 H new ATOM 0 HD13 LEU A 63 153.836 0.774 -2.009 1.00 0.00 H new ATOM 0 HD21 LEU A 63 155.143 -2.013 -1.893 1.00 0.00 H new ATOM 0 HD22 LEU A 63 155.458 -0.827 -3.182 1.00 0.00 H new ATOM 0 HD23 LEU A 63 156.812 -1.505 -2.246 1.00 0.00 H new ATOM 1094 N GLN A 64 159.382 0.997 -0.046 1.00 0.00 N ATOM 1095 CA GLN A 64 160.383 0.158 0.602 1.00 0.00 C ATOM 1096 C GLN A 64 161.035 0.888 1.773 1.00 0.00 C ATOM 1097 O GLN A 64 161.345 0.282 2.799 1.00 0.00 O ATOM 1098 CB GLN A 64 161.453 -0.266 -0.406 1.00 0.00 C ATOM 1099 CG GLN A 64 160.900 -1.055 -1.582 1.00 0.00 C ATOM 1100 CD GLN A 64 160.394 -2.426 -1.177 1.00 0.00 C ATOM 1101 OE1 GLN A 64 161.163 -3.383 -1.088 1.00 0.00 O ATOM 1102 NE2 GLN A 64 159.093 -2.527 -0.931 1.00 0.00 N ATOM 0 H GLN A 64 159.746 1.587 -0.794 1.00 0.00 H new ATOM 0 HA GLN A 64 159.880 -0.730 0.986 1.00 0.00 H new ATOM 0 HB2 GLN A 64 161.960 0.623 -0.781 1.00 0.00 H new ATOM 0 HB3 GLN A 64 162.204 -0.869 0.105 1.00 0.00 H new ATOM 0 HG2 GLN A 64 160.087 -0.493 -2.042 1.00 0.00 H new ATOM 0 HG3 GLN A 64 161.678 -1.167 -2.338 1.00 0.00 H new ATOM 0 HE21 GLN A 64 158.493 -1.707 -1.017 1.00 0.00 H new ATOM 0 HE22 GLN A 64 158.694 -3.425 -0.656 1.00 0.00 H new ATOM 1111 N ASN A 65 161.242 2.190 1.612 1.00 0.00 N ATOM 1112 CA ASN A 65 161.860 3.000 2.656 1.00 0.00 C ATOM 1113 C ASN A 65 161.047 2.940 3.947 1.00 0.00 C ATOM 1114 O ASN A 65 161.604 2.799 5.035 1.00 0.00 O ATOM 1115 CB ASN A 65 161.994 4.452 2.192 1.00 0.00 C ATOM 1116 CG ASN A 65 163.183 5.150 2.821 1.00 0.00 C ATOM 1117 OD1 ASN A 65 164.115 5.559 2.129 1.00 0.00 O ATOM 1118 ND2 ASN A 65 163.158 5.290 4.141 1.00 0.00 N ATOM 0 H ASN A 65 160.991 2.707 0.769 1.00 0.00 H new ATOM 0 HA ASN A 65 162.852 2.595 2.854 1.00 0.00 H new ATOM 0 HB2 ASN A 65 162.094 4.476 1.107 1.00 0.00 H new ATOM 0 HB3 ASN A 65 161.083 4.996 2.441 1.00 0.00 H new ATOM 0 HD21 ASN A 65 163.931 5.752 4.620 1.00 0.00 H new ATOM 0 HD22 ASN A 65 162.365 4.936 4.676 1.00 0.00 H new ATOM 1125 N GLU A 66 159.730 3.051 3.817 1.00 0.00 N ATOM 1126 CA GLU A 66 158.842 3.010 4.972 1.00 0.00 C ATOM 1127 C GLU A 66 158.961 1.679 5.710 1.00 0.00 C ATOM 1128 O GLU A 66 158.723 1.605 6.915 1.00 0.00 O ATOM 1129 CB GLU A 66 157.393 3.237 4.536 1.00 0.00 C ATOM 1130 CG GLU A 66 157.116 4.655 4.063 1.00 0.00 C ATOM 1131 CD GLU A 66 155.637 4.990 4.063 1.00 0.00 C ATOM 1132 OE1 GLU A 66 154.860 4.245 3.430 1.00 0.00 O ATOM 1133 OE2 GLU A 66 155.257 5.998 4.695 1.00 0.00 O ATOM 0 H GLU A 66 159.254 3.170 2.923 1.00 0.00 H new ATOM 0 HA GLU A 66 159.140 3.807 5.653 1.00 0.00 H new ATOM 0 HB2 GLU A 66 157.150 2.541 3.733 1.00 0.00 H new ATOM 0 HB3 GLU A 66 156.731 3.005 5.370 1.00 0.00 H new ATOM 0 HG2 GLU A 66 157.644 5.359 4.706 1.00 0.00 H new ATOM 0 HG3 GLU A 66 157.514 4.783 3.056 1.00 0.00 H new ATOM 1140 N ILE A 67 159.328 0.631 4.979 1.00 0.00 N ATOM 1141 CA ILE A 67 159.475 -0.695 5.568 1.00 0.00 C ATOM 1142 C ILE A 67 160.584 -0.711 6.615 1.00 0.00 C ATOM 1143 O ILE A 67 160.324 -0.895 7.804 1.00 0.00 O ATOM 1144 CB ILE A 67 159.783 -1.757 4.495 1.00 0.00 C ATOM 1145 CG1 ILE A 67 158.781 -1.662 3.344 1.00 0.00 C ATOM 1146 CG2 ILE A 67 159.763 -3.151 5.105 1.00 0.00 C ATOM 1147 CD1 ILE A 67 157.339 -1.782 3.787 1.00 0.00 C ATOM 0 H ILE A 67 159.529 0.674 3.980 1.00 0.00 H new ATOM 0 HA ILE A 67 158.525 -0.936 6.044 1.00 0.00 H new ATOM 0 HB ILE A 67 160.781 -1.568 4.099 1.00 0.00 H new ATOM 0 HG12 ILE A 67 158.917 -0.709 2.832 1.00 0.00 H new ATOM 0 HG13 ILE A 67 158.997 -2.447 2.619 1.00 0.00 H new ATOM 0 HG21 ILE A 67 159.982 -3.889 4.333 1.00 0.00 H new ATOM 0 HG22 ILE A 67 160.514 -3.215 5.892 1.00 0.00 H new ATOM 0 HG23 ILE A 67 158.778 -3.349 5.527 1.00 0.00 H new ATOM 0 HD11 ILE A 67 156.684 -1.706 2.919 1.00 0.00 H new ATOM 0 HD12 ILE A 67 157.187 -2.746 4.273 1.00 0.00 H new ATOM 0 HD13 ILE A 67 157.106 -0.981 4.489 1.00 0.00 H new ATOM 1159 N ASN A 68 161.820 -0.516 6.165 1.00 0.00 N ATOM 1160 CA ASN A 68 162.970 -0.509 7.062 1.00 0.00 C ATOM 1161 C ASN A 68 162.794 0.528 8.168 1.00 0.00 C ATOM 1162 O ASN A 68 163.285 0.352 9.283 1.00 0.00 O ATOM 1163 CB ASN A 68 164.252 -0.221 6.279 1.00 0.00 C ATOM 1164 CG ASN A 68 164.119 0.990 5.379 1.00 0.00 C ATOM 1165 OD1 ASN A 68 163.903 0.863 4.173 1.00 0.00 O ATOM 1166 ND2 ASN A 68 164.250 2.177 5.961 1.00 0.00 N ATOM 0 H ASN A 68 162.051 -0.361 5.184 1.00 0.00 H new ATOM 0 HA ASN A 68 163.045 -1.495 7.521 1.00 0.00 H new ATOM 0 HB2 ASN A 68 165.073 -0.063 6.978 1.00 0.00 H new ATOM 0 HB3 ASN A 68 164.510 -1.092 5.676 1.00 0.00 H new ATOM 0 HD21 ASN A 68 164.172 3.029 5.405 1.00 0.00 H new ATOM 0 HD22 ASN A 68 164.428 2.237 6.964 1.00 0.00 H new ATOM 1173 N ARG A 69 162.087 1.608 7.852 1.00 0.00 N ATOM 1174 CA ARG A 69 161.844 2.674 8.816 1.00 0.00 C ATOM 1175 C ARG A 69 161.101 2.141 10.038 1.00 0.00 C ATOM 1176 O ARG A 69 161.470 2.430 11.176 1.00 0.00 O ATOM 1177 CB ARG A 69 161.042 3.803 8.166 1.00 0.00 C ATOM 1178 CG ARG A 69 160.710 4.942 9.116 1.00 0.00 C ATOM 1179 CD ARG A 69 160.010 6.083 8.395 1.00 0.00 C ATOM 1180 NE ARG A 69 158.571 5.860 8.281 1.00 0.00 N ATOM 1181 CZ ARG A 69 157.688 6.824 8.028 1.00 0.00 C ATOM 1182 NH1 ARG A 69 158.094 8.076 7.859 1.00 0.00 N ATOM 1183 NH2 ARG A 69 156.397 6.534 7.942 1.00 0.00 N ATOM 0 H ARG A 69 161.672 1.768 6.934 1.00 0.00 H new ATOM 0 HA ARG A 69 162.808 3.065 9.142 1.00 0.00 H new ATOM 0 HB2 ARG A 69 161.607 4.199 7.322 1.00 0.00 H new ATOM 0 HB3 ARG A 69 160.115 3.394 7.765 1.00 0.00 H new ATOM 0 HG2 ARG A 69 160.073 4.573 9.920 1.00 0.00 H new ATOM 0 HG3 ARG A 69 161.626 5.310 9.579 1.00 0.00 H new ATOM 0 HD2 ARG A 69 160.191 7.015 8.931 1.00 0.00 H new ATOM 0 HD3 ARG A 69 160.438 6.199 7.400 1.00 0.00 H new ATOM 0 HE ARG A 69 158.222 4.909 8.402 1.00 0.00 H new ATOM 0 HH11 ARG A 69 159.086 8.303 7.923 1.00 0.00 H new ATOM 0 HH12 ARG A 69 157.414 8.811 7.665 1.00 0.00 H new ATOM 0 HH21 ARG A 69 156.081 5.573 8.070 1.00 0.00 H new ATOM 0 HH22 ARG A 69 155.720 7.272 7.748 1.00 0.00 H new ATOM 1197 N LEU A 70 160.052 1.360 9.793 1.00 0.00 N ATOM 1198 CA LEU A 70 159.258 0.787 10.873 1.00 0.00 C ATOM 1199 C LEU A 70 159.852 -0.539 11.340 1.00 0.00 C ATOM 1200 O LEU A 70 159.974 -0.788 12.539 1.00 0.00 O ATOM 1201 CB LEU A 70 157.813 0.580 10.416 1.00 0.00 C ATOM 1202 CG LEU A 70 156.977 1.857 10.311 1.00 0.00 C ATOM 1203 CD1 LEU A 70 155.544 1.528 9.928 1.00 0.00 C ATOM 1204 CD2 LEU A 70 157.018 2.630 11.620 1.00 0.00 C ATOM 0 H LEU A 70 159.733 1.110 8.857 1.00 0.00 H new ATOM 0 HA LEU A 70 159.270 1.485 11.710 1.00 0.00 H new ATOM 0 HB2 LEU A 70 157.823 0.089 9.443 1.00 0.00 H new ATOM 0 HB3 LEU A 70 157.322 -0.101 11.111 1.00 0.00 H new ATOM 0 HG LEU A 70 157.404 2.484 9.529 1.00 0.00 H new ATOM 0 HD11 LEU A 70 154.965 2.449 9.858 1.00 0.00 H new ATOM 0 HD12 LEU A 70 155.533 1.019 8.964 1.00 0.00 H new ATOM 0 HD13 LEU A 70 155.104 0.880 10.686 1.00 0.00 H new ATOM 0 HD21 LEU A 70 156.418 3.535 11.527 1.00 0.00 H new ATOM 0 HD22 LEU A 70 156.617 2.010 12.422 1.00 0.00 H new ATOM 0 HD23 LEU A 70 158.048 2.900 11.851 1.00 0.00 H new ATOM 1216 N GLU A 71 160.219 -1.387 10.383 1.00 0.00 N ATOM 1217 CA GLU A 71 160.801 -2.688 10.693 1.00 0.00 C ATOM 1218 C GLU A 71 162.034 -2.538 11.581 1.00 0.00 C ATOM 1219 O GLU A 71 162.356 -3.427 12.368 1.00 0.00 O ATOM 1220 CB GLU A 71 161.171 -3.421 9.402 1.00 0.00 C ATOM 1221 CG GLU A 71 160.820 -4.900 9.420 1.00 0.00 C ATOM 1222 CD GLU A 71 161.935 -5.756 9.985 1.00 0.00 C ATOM 1223 OE1 GLU A 71 163.112 -5.349 9.874 1.00 0.00 O ATOM 1224 OE2 GLU A 71 161.634 -6.835 10.539 1.00 0.00 O ATOM 0 H GLU A 71 160.123 -1.196 9.386 1.00 0.00 H new ATOM 0 HA GLU A 71 160.058 -3.272 11.236 1.00 0.00 H new ATOM 0 HB2 GLU A 71 160.660 -2.945 8.565 1.00 0.00 H new ATOM 0 HB3 GLU A 71 162.241 -3.312 9.226 1.00 0.00 H new ATOM 0 HG2 GLU A 71 159.917 -5.048 10.012 1.00 0.00 H new ATOM 0 HG3 GLU A 71 160.593 -5.228 8.406 1.00 0.00 H new ATOM 1231 N LYS A 72 162.719 -1.406 11.446 1.00 0.00 N ATOM 1232 CA LYS A 72 163.915 -1.137 12.235 1.00 0.00 C ATOM 1233 C LYS A 72 163.547 -0.710 13.652 1.00 0.00 C ATOM 1234 O LYS A 72 163.933 -1.356 14.626 1.00 0.00 O ATOM 1235 CB LYS A 72 164.759 -0.052 11.559 1.00 0.00 C ATOM 1236 CG LYS A 72 165.905 0.461 12.418 1.00 0.00 C ATOM 1237 CD LYS A 72 165.488 1.672 13.239 1.00 0.00 C ATOM 1238 CE LYS A 72 166.477 2.817 13.088 1.00 0.00 C ATOM 1239 NZ LYS A 72 166.490 3.702 14.286 1.00 0.00 N ATOM 0 H LYS A 72 162.466 -0.661 10.797 1.00 0.00 H new ATOM 0 HA LYS A 72 164.499 -2.056 12.296 1.00 0.00 H new ATOM 0 HB2 LYS A 72 165.165 -0.448 10.628 1.00 0.00 H new ATOM 0 HB3 LYS A 72 164.113 0.785 11.294 1.00 0.00 H new ATOM 0 HG2 LYS A 72 166.245 -0.332 13.084 1.00 0.00 H new ATOM 0 HG3 LYS A 72 166.749 0.725 11.781 1.00 0.00 H new ATOM 0 HD2 LYS A 72 164.498 2.002 12.925 1.00 0.00 H new ATOM 0 HD3 LYS A 72 165.412 1.392 14.290 1.00 0.00 H new ATOM 0 HE2 LYS A 72 167.476 2.414 12.924 1.00 0.00 H new ATOM 0 HE3 LYS A 72 166.221 3.404 12.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 167.177 4.470 14.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 165.543 4.107 14.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 166.759 3.148 15.124 1.00 0.00 H new ATOM 1253 N GLN A 73 162.804 0.386 13.760 1.00 0.00 N ATOM 1254 CA GLN A 73 162.388 0.904 15.059 1.00 0.00 C ATOM 1255 C GLN A 73 161.611 -0.148 15.846 1.00 0.00 C ATOM 1256 O GLN A 73 161.820 -0.318 17.048 1.00 0.00 O ATOM 1257 CB GLN A 73 161.535 2.163 14.879 1.00 0.00 C ATOM 1258 CG GLN A 73 160.144 1.889 14.327 1.00 0.00 C ATOM 1259 CD GLN A 73 159.353 3.159 14.081 1.00 0.00 C ATOM 1260 OE1 GLN A 73 159.600 3.880 13.114 1.00 0.00 O ATOM 1261 NE2 GLN A 73 158.397 3.440 14.959 1.00 0.00 N ATOM 0 H GLN A 73 162.477 0.933 12.964 1.00 0.00 H new ATOM 0 HA GLN A 73 163.285 1.159 15.624 1.00 0.00 H new ATOM 0 HB2 GLN A 73 161.441 2.667 15.841 1.00 0.00 H new ATOM 0 HB3 GLN A 73 162.053 2.849 14.209 1.00 0.00 H new ATOM 0 HG2 GLN A 73 160.231 1.333 13.393 1.00 0.00 H new ATOM 0 HG3 GLN A 73 159.598 1.255 15.026 1.00 0.00 H new ATOM 0 HE21 GLN A 73 158.227 2.814 15.746 1.00 0.00 H new ATOM 0 HE22 GLN A 73 157.833 4.282 14.846 1.00 0.00 H new ATOM 1270 N ALA A 74 160.713 -0.850 15.161 1.00 0.00 N ATOM 1271 CA ALA A 74 159.904 -1.884 15.795 1.00 0.00 C ATOM 1272 C ALA A 74 160.779 -2.944 16.457 1.00 0.00 C ATOM 1273 O ALA A 74 160.387 -3.553 17.452 1.00 0.00 O ATOM 1274 CB ALA A 74 158.976 -2.526 14.775 1.00 0.00 C ATOM 0 H ALA A 74 160.528 -0.721 14.166 1.00 0.00 H new ATOM 0 HA ALA A 74 159.304 -1.412 16.573 1.00 0.00 H new ATOM 0 HB1 ALA A 74 158.378 -3.296 15.262 1.00 0.00 H new ATOM 0 HB2 ALA A 74 158.317 -1.767 14.354 1.00 0.00 H new ATOM 0 HB3 ALA A 74 159.567 -2.976 13.977 1.00 0.00 H new ATOM 1280 N PHE A 75 161.965 -3.159 15.898 1.00 0.00 N ATOM 1281 CA PHE A 75 162.894 -4.147 16.435 1.00 0.00 C ATOM 1282 C PHE A 75 163.709 -3.559 17.583 1.00 0.00 C ATOM 1283 O PHE A 75 163.878 -4.192 18.625 1.00 0.00 O ATOM 1284 CB PHE A 75 163.830 -4.650 15.334 1.00 0.00 C ATOM 1285 CG PHE A 75 164.302 -6.060 15.547 1.00 0.00 C ATOM 1286 CD1 PHE A 75 165.125 -6.375 16.616 1.00 0.00 C ATOM 1287 CD2 PHE A 75 163.921 -7.071 14.678 1.00 0.00 C ATOM 1288 CE1 PHE A 75 165.561 -7.672 16.815 1.00 0.00 C ATOM 1289 CE2 PHE A 75 164.354 -8.369 14.871 1.00 0.00 C ATOM 1290 CZ PHE A 75 165.175 -8.669 15.941 1.00 0.00 C ATOM 0 H PHE A 75 162.306 -2.663 15.074 1.00 0.00 H new ATOM 0 HA PHE A 75 162.313 -4.986 16.818 1.00 0.00 H new ATOM 0 HB2 PHE A 75 163.316 -4.588 14.375 1.00 0.00 H new ATOM 0 HB3 PHE A 75 164.696 -3.990 15.275 1.00 0.00 H new ATOM 0 HD1 PHE A 75 165.430 -5.598 17.302 1.00 0.00 H new ATOM 0 HD2 PHE A 75 163.279 -6.841 13.841 1.00 0.00 H new ATOM 0 HE1 PHE A 75 166.202 -7.905 17.652 1.00 0.00 H new ATOM 0 HE2 PHE A 75 164.051 -9.148 14.187 1.00 0.00 H new ATOM 0 HZ PHE A 75 165.515 -9.683 16.094 1.00 0.00 H new ATOM 1300 N LEU A 76 164.212 -2.345 17.384 1.00 0.00 N ATOM 1301 CA LEU A 76 165.010 -1.672 18.403 1.00 0.00 C ATOM 1302 C LEU A 76 164.132 -1.195 19.554 1.00 0.00 C ATOM 1303 O LEU A 76 164.222 -1.705 20.671 1.00 0.00 O ATOM 1304 CB LEU A 76 165.761 -0.487 17.792 1.00 0.00 C ATOM 1305 CG LEU A 76 167.085 -0.840 17.113 1.00 0.00 C ATOM 1306 CD1 LEU A 76 166.840 -1.394 15.718 1.00 0.00 C ATOM 1307 CD2 LEU A 76 167.993 0.379 17.053 1.00 0.00 C ATOM 0 H LEU A 76 164.081 -1.807 16.527 1.00 0.00 H new ATOM 0 HA LEU A 76 165.733 -2.388 18.795 1.00 0.00 H new ATOM 0 HB2 LEU A 76 165.113 -0.004 17.061 1.00 0.00 H new ATOM 0 HB3 LEU A 76 165.956 0.244 18.577 1.00 0.00 H new ATOM 0 HG LEU A 76 167.581 -1.610 17.704 1.00 0.00 H new ATOM 0 HD11 LEU A 76 167.794 -1.639 15.251 1.00 0.00 H new ATOM 0 HD12 LEU A 76 166.228 -2.293 15.786 1.00 0.00 H new ATOM 0 HD13 LEU A 76 166.323 -0.647 15.116 1.00 0.00 H new ATOM 0 HD21 LEU A 76 168.931 0.110 16.567 1.00 0.00 H new ATOM 0 HD22 LEU A 76 167.503 1.170 16.485 1.00 0.00 H new ATOM 0 HD23 LEU A 76 168.196 0.731 18.064 1.00 0.00 H new ATOM 1319 N ASP A 77 163.282 -0.211 19.275 1.00 0.00 N ATOM 1320 CA ASP A 77 162.384 0.340 20.285 1.00 0.00 C ATOM 1321 C ASP A 77 163.173 1.028 21.396 1.00 0.00 C ATOM 1322 O ASP A 77 163.270 2.255 21.432 1.00 0.00 O ATOM 1323 CB ASP A 77 161.502 -0.766 20.873 1.00 0.00 C ATOM 1324 CG ASP A 77 160.127 -0.809 20.235 1.00 0.00 C ATOM 1325 OD1 ASP A 77 160.010 -1.351 19.116 1.00 0.00 O ATOM 1326 OD2 ASP A 77 159.169 -0.302 20.853 1.00 0.00 O ATOM 0 H ASP A 77 163.196 0.222 18.355 1.00 0.00 H new ATOM 0 HA ASP A 77 161.747 1.083 19.805 1.00 0.00 H new ATOM 0 HB2 ASP A 77 161.993 -1.730 20.737 1.00 0.00 H new ATOM 0 HB3 ASP A 77 161.397 -0.611 21.947 1.00 0.00 H new ATOM 1331 N GLN A 78 163.732 0.232 22.302 1.00 0.00 N ATOM 1332 CA GLN A 78 164.511 0.767 23.412 1.00 0.00 C ATOM 1333 C GLN A 78 165.321 -0.334 24.089 1.00 0.00 C ATOM 1334 O GLN A 78 164.784 -1.127 24.863 1.00 0.00 O ATOM 1335 CB GLN A 78 163.591 1.438 24.433 1.00 0.00 C ATOM 1336 CG GLN A 78 164.186 2.687 25.062 1.00 0.00 C ATOM 1337 CD GLN A 78 163.353 3.217 26.213 1.00 0.00 C ATOM 1338 OE1 GLN A 78 163.556 2.838 27.366 1.00 0.00 O ATOM 1339 NE2 GLN A 78 162.407 4.095 25.903 1.00 0.00 N ATOM 0 H GLN A 78 163.660 -0.785 22.289 1.00 0.00 H new ATOM 0 HA GLN A 78 165.202 1.509 23.012 1.00 0.00 H new ATOM 0 HB2 GLN A 78 162.651 1.699 23.946 1.00 0.00 H new ATOM 0 HB3 GLN A 78 163.354 0.723 25.221 1.00 0.00 H new ATOM 0 HG2 GLN A 78 165.192 2.465 25.419 1.00 0.00 H new ATOM 0 HG3 GLN A 78 164.281 3.462 24.301 1.00 0.00 H new ATOM 0 HE21 GLN A 78 162.274 4.381 24.933 1.00 0.00 H new ATOM 0 HE22 GLN A 78 161.813 4.484 26.635 1.00 0.00 H new ATOM 1348 N ASN A 79 166.616 -0.378 23.793 1.00 0.00 N ATOM 1349 CA ASN A 79 167.501 -1.383 24.372 1.00 0.00 C ATOM 1350 C ASN A 79 168.580 -0.728 25.228 1.00 0.00 C ATOM 1351 O ASN A 79 168.744 -1.064 26.401 1.00 0.00 O ATOM 1352 CB ASN A 79 168.148 -2.221 23.268 1.00 0.00 C ATOM 1353 CG ASN A 79 167.152 -3.126 22.570 1.00 0.00 C ATOM 1354 OD1 ASN A 79 166.211 -3.626 23.188 1.00 0.00 O ATOM 1355 ND2 ASN A 79 167.355 -3.342 21.275 1.00 0.00 N ATOM 0 H ASN A 79 167.076 0.271 23.155 1.00 0.00 H new ATOM 0 HA ASN A 79 166.903 -2.035 25.009 1.00 0.00 H new ATOM 0 HB2 ASN A 79 168.608 -1.558 22.535 1.00 0.00 H new ATOM 0 HB3 ASN A 79 168.947 -2.826 23.696 1.00 0.00 H new ATOM 0 HD21 ASN A 79 166.718 -3.943 20.752 1.00 0.00 H new ATOM 0 HD22 ASN A 79 168.148 -2.907 20.804 1.00 0.00 H new ATOM 1362 N ALA A 80 169.312 0.209 24.635 1.00 0.00 N ATOM 1363 CA ALA A 80 170.375 0.911 25.342 1.00 0.00 C ATOM 1364 C ALA A 80 170.611 2.293 24.746 1.00 0.00 C ATOM 1365 O ALA A 80 170.572 2.470 23.528 1.00 0.00 O ATOM 1366 CB ALA A 80 171.657 0.094 25.311 1.00 0.00 C ATOM 0 H ALA A 80 169.188 0.500 23.665 1.00 0.00 H new ATOM 0 HA ALA A 80 170.065 1.040 26.379 1.00 0.00 H new ATOM 0 HB1 ALA A 80 172.443 0.630 25.843 1.00 0.00 H new ATOM 0 HB2 ALA A 80 171.486 -0.870 25.791 1.00 0.00 H new ATOM 0 HB3 ALA A 80 171.962 -0.065 24.277 1.00 0.00 H new ATOM 1372 N ASP A 81 170.857 3.272 25.612 1.00 0.00 N ATOM 1373 CA ASP A 81 171.101 4.640 25.169 1.00 0.00 C ATOM 1374 C ASP A 81 172.407 4.735 24.387 1.00 0.00 C ATOM 1375 O ASP A 81 173.478 4.914 24.968 1.00 0.00 O ATOM 1376 CB ASP A 81 171.142 5.586 26.371 1.00 0.00 C ATOM 1377 CG ASP A 81 169.783 5.754 27.021 1.00 0.00 C ATOM 1378 OD1 ASP A 81 168.957 6.519 26.480 1.00 0.00 O ATOM 1379 OD2 ASP A 81 169.545 5.122 28.071 1.00 0.00 O ATOM 0 H ASP A 81 170.893 3.143 26.623 1.00 0.00 H new ATOM 0 HA ASP A 81 170.284 4.934 24.511 1.00 0.00 H new ATOM 0 HB2 ASP A 81 171.849 5.203 27.107 1.00 0.00 H new ATOM 0 HB3 ASP A 81 171.511 6.560 26.051 1.00 0.00 H new ATOM 1384 N ARG A 82 172.311 4.614 23.068 1.00 0.00 N ATOM 1385 CA ARG A 82 173.485 4.686 22.207 1.00 0.00 C ATOM 1386 C ARG A 82 173.087 4.613 20.736 1.00 0.00 C ATOM 1387 O ARG A 82 172.802 3.535 20.212 1.00 0.00 O ATOM 1388 CB ARG A 82 174.459 3.554 22.541 1.00 0.00 C ATOM 1389 CG ARG A 82 175.918 3.986 22.531 1.00 0.00 C ATOM 1390 CD ARG A 82 176.604 3.674 23.852 1.00 0.00 C ATOM 1391 NE ARG A 82 176.515 4.789 24.791 1.00 0.00 N ATOM 1392 CZ ARG A 82 177.243 4.884 25.901 1.00 0.00 C ATOM 1393 NH1 ARG A 82 178.115 3.933 26.214 1.00 0.00 N ATOM 1394 NH2 ARG A 82 177.101 5.931 26.701 1.00 0.00 N ATOM 0 H ARG A 82 171.432 4.466 22.572 1.00 0.00 H new ATOM 0 HA ARG A 82 173.976 5.643 22.384 1.00 0.00 H new ATOM 0 HB2 ARG A 82 174.214 3.153 23.524 1.00 0.00 H new ATOM 0 HB3 ARG A 82 174.323 2.745 21.824 1.00 0.00 H new ATOM 0 HG2 ARG A 82 176.442 3.480 21.720 1.00 0.00 H new ATOM 0 HG3 ARG A 82 175.980 5.056 22.332 1.00 0.00 H new ATOM 0 HD2 ARG A 82 176.149 2.789 24.296 1.00 0.00 H new ATOM 0 HD3 ARG A 82 177.652 3.437 23.669 1.00 0.00 H new ATOM 0 HE ARG A 82 175.856 5.539 24.584 1.00 0.00 H new ATOM 0 HH11 ARG A 82 178.229 3.125 25.603 1.00 0.00 H new ATOM 0 HH12 ARG A 82 178.670 4.011 27.066 1.00 0.00 H new ATOM 0 HH21 ARG A 82 176.433 6.665 26.466 1.00 0.00 H new ATOM 0 HH22 ARG A 82 177.660 6.002 27.551 1.00 0.00 H new ATOM 1408 N ALA A 83 173.068 5.765 20.074 1.00 0.00 N ATOM 1409 CA ALA A 83 172.705 5.831 18.665 1.00 0.00 C ATOM 1410 C ALA A 83 173.176 7.139 18.037 1.00 0.00 C ATOM 1411 O ALA A 83 172.870 8.223 18.535 1.00 0.00 O ATOM 1412 CB ALA A 83 171.200 5.677 18.500 1.00 0.00 C ATOM 0 H ALA A 83 173.300 6.666 20.492 1.00 0.00 H new ATOM 0 HA ALA A 83 173.203 5.010 18.149 1.00 0.00 H new ATOM 0 HB1 ALA A 83 170.943 5.728 17.442 1.00 0.00 H new ATOM 0 HB2 ALA A 83 170.886 4.714 18.903 1.00 0.00 H new ATOM 0 HB3 ALA A 83 170.691 6.478 19.036 1.00 0.00 H new ATOM 1418 N SER A 84 173.920 7.029 16.942 1.00 0.00 N ATOM 1419 CA SER A 84 174.433 8.203 16.245 1.00 0.00 C ATOM 1420 C SER A 84 174.932 7.835 14.853 1.00 0.00 C ATOM 1421 O SER A 84 175.514 6.768 14.653 1.00 0.00 O ATOM 1422 CB SER A 84 175.563 8.848 17.052 1.00 0.00 C ATOM 1423 OG SER A 84 176.761 8.098 16.940 1.00 0.00 O ATOM 0 H SER A 84 174.181 6.139 16.518 1.00 0.00 H new ATOM 0 HA SER A 84 173.617 8.918 16.140 1.00 0.00 H new ATOM 0 HB2 SER A 84 175.732 9.865 16.698 1.00 0.00 H new ATOM 0 HB3 SER A 84 175.271 8.919 18.100 1.00 0.00 H new ATOM 0 HG SER A 84 177.468 8.531 17.463 1.00 0.00 H new ATOM 1429 N ARG A 85 174.702 8.724 13.892 1.00 0.00 N ATOM 1430 CA ARG A 85 175.129 8.492 12.517 1.00 0.00 C ATOM 1431 C ARG A 85 175.643 9.781 11.882 1.00 0.00 C ATOM 1432 O ARG A 85 175.065 10.851 12.070 1.00 0.00 O ATOM 1433 CB ARG A 85 173.971 7.930 11.690 1.00 0.00 C ATOM 1434 CG ARG A 85 172.667 8.690 11.873 1.00 0.00 C ATOM 1435 CD ARG A 85 172.113 9.180 10.544 1.00 0.00 C ATOM 1436 NE ARG A 85 170.689 9.494 10.628 1.00 0.00 N ATOM 1437 CZ ARG A 85 170.017 10.152 9.684 1.00 0.00 C ATOM 1438 NH1 ARG A 85 170.637 10.566 8.585 1.00 0.00 N ATOM 1439 NH2 ARG A 85 168.723 10.396 9.840 1.00 0.00 N ATOM 0 H ARG A 85 174.222 9.612 14.040 1.00 0.00 H new ATOM 0 HA ARG A 85 175.942 7.766 12.533 1.00 0.00 H new ATOM 0 HB2 ARG A 85 174.247 7.947 10.636 1.00 0.00 H new ATOM 0 HB3 ARG A 85 173.815 6.886 11.962 1.00 0.00 H new ATOM 0 HG2 ARG A 85 171.934 8.045 12.358 1.00 0.00 H new ATOM 0 HG3 ARG A 85 172.831 9.540 12.535 1.00 0.00 H new ATOM 0 HD2 ARG A 85 172.662 10.067 10.227 1.00 0.00 H new ATOM 0 HD3 ARG A 85 172.272 8.417 9.782 1.00 0.00 H new ATOM 0 HE ARG A 85 170.179 9.192 11.458 1.00 0.00 H new ATOM 0 HH11 ARG A 85 171.632 10.381 8.460 1.00 0.00 H new ATOM 0 HH12 ARG A 85 170.118 11.069 7.865 1.00 0.00 H new ATOM 0 HH21 ARG A 85 168.242 10.080 10.682 1.00 0.00 H new ATOM 0 HH22 ARG A 85 168.208 10.900 9.118 1.00 0.00 H new ATOM 1453 N ARG A 86 176.733 9.669 11.131 1.00 0.00 N ATOM 1454 CA ARG A 86 177.325 10.826 10.467 1.00 0.00 C ATOM 1455 C ARG A 86 177.634 10.514 9.006 1.00 0.00 C ATOM 1456 O ARG A 86 177.320 11.302 8.114 1.00 0.00 O ATOM 1457 CB ARG A 86 178.603 11.255 11.190 1.00 0.00 C ATOM 1458 CG ARG A 86 178.345 12.027 12.475 1.00 0.00 C ATOM 1459 CD ARG A 86 179.292 13.209 12.619 1.00 0.00 C ATOM 1460 NE ARG A 86 178.583 14.486 12.567 1.00 0.00 N ATOM 1461 CZ ARG A 86 177.913 15.004 13.593 1.00 0.00 C ATOM 1462 NH1 ARG A 86 177.858 14.361 14.752 1.00 0.00 N ATOM 1463 NH2 ARG A 86 177.295 16.171 13.459 1.00 0.00 N ATOM 0 H ARG A 86 177.224 8.790 10.967 1.00 0.00 H new ATOM 0 HA ARG A 86 176.604 11.643 10.501 1.00 0.00 H new ATOM 0 HB2 ARG A 86 179.195 10.369 11.421 1.00 0.00 H new ATOM 0 HB3 ARG A 86 179.201 11.872 10.519 1.00 0.00 H new ATOM 0 HG2 ARG A 86 177.315 12.382 12.486 1.00 0.00 H new ATOM 0 HG3 ARG A 86 178.461 11.361 13.330 1.00 0.00 H new ATOM 0 HD2 ARG A 86 179.829 13.130 13.564 1.00 0.00 H new ATOM 0 HD3 ARG A 86 180.038 13.175 11.825 1.00 0.00 H new ATOM 0 HE ARG A 86 178.603 15.011 11.693 1.00 0.00 H new ATOM 0 HH11 ARG A 86 178.331 13.464 14.860 1.00 0.00 H new ATOM 0 HH12 ARG A 86 177.343 14.764 15.535 1.00 0.00 H new ATOM 0 HH21 ARG A 86 177.334 16.670 12.570 1.00 0.00 H new ATOM 0 HH22 ARG A 86 176.781 16.569 14.245 1.00 0.00 H new ATOM 1477 N THR A 87 178.250 9.362 8.769 1.00 0.00 N ATOM 1478 CA THR A 87 178.601 8.946 7.416 1.00 0.00 C ATOM 1479 C THR A 87 178.620 7.425 7.301 1.00 0.00 C ATOM 1480 O THR A 87 179.198 6.736 8.142 1.00 0.00 O ATOM 1481 CB THR A 87 179.966 9.516 7.024 1.00 0.00 C ATOM 1482 OG1 THR A 87 180.431 8.922 5.825 1.00 0.00 O ATOM 1483 CG2 THR A 87 181.028 9.307 8.080 1.00 0.00 C ATOM 0 H THR A 87 178.517 8.699 9.496 1.00 0.00 H new ATOM 0 HA THR A 87 177.843 9.333 6.735 1.00 0.00 H new ATOM 0 HB THR A 87 179.806 10.587 6.900 1.00 0.00 H new ATOM 0 HG1 THR A 87 181.304 9.300 5.590 1.00 0.00 H new ATOM 0 HG21 THR A 87 181.970 9.735 7.738 1.00 0.00 H new ATOM 0 HG22 THR A 87 180.722 9.796 9.005 1.00 0.00 H new ATOM 0 HG23 THR A 87 181.158 8.240 8.259 1.00 0.00 H new ATOM 1491 N PHE A 88 177.983 6.909 6.255 1.00 0.00 N ATOM 1492 CA PHE A 88 177.926 5.470 6.030 1.00 0.00 C ATOM 1493 C PHE A 88 179.020 5.027 5.063 1.00 0.00 C ATOM 1494 O PHE A 88 179.977 4.366 5.517 1.00 0.00 O ATOM 1495 CB PHE A 88 176.552 5.072 5.486 1.00 0.00 C ATOM 1496 CG PHE A 88 175.832 4.072 6.346 1.00 0.00 C ATOM 1497 CD1 PHE A 88 175.398 4.416 7.616 1.00 0.00 C ATOM 1498 CD2 PHE A 88 175.589 2.789 5.883 1.00 0.00 C ATOM 1499 CE1 PHE A 88 174.736 3.497 8.409 1.00 0.00 C ATOM 1500 CE2 PHE A 88 174.927 1.867 6.670 1.00 0.00 C ATOM 1501 CZ PHE A 88 174.499 2.222 7.935 1.00 0.00 C ATOM 1502 OXT PHE A 88 178.909 5.344 3.860 1.00 0.00 O ATOM 0 H PHE A 88 177.499 7.466 5.550 1.00 0.00 H new ATOM 0 HA PHE A 88 178.088 4.970 6.985 1.00 0.00 H new ATOM 0 HB2 PHE A 88 175.936 5.966 5.389 1.00 0.00 H new ATOM 0 HB3 PHE A 88 176.673 4.658 4.485 1.00 0.00 H new ATOM 0 HD1 PHE A 88 175.579 5.413 7.991 1.00 0.00 H new ATOM 0 HD2 PHE A 88 175.921 2.506 4.895 1.00 0.00 H new ATOM 0 HE1 PHE A 88 174.405 3.776 9.398 1.00 0.00 H new ATOM 0 HE2 PHE A 88 174.744 0.870 6.297 1.00 0.00 H new ATOM 0 HZ PHE A 88 173.980 1.503 8.552 1.00 0.00 H new TER 1512 PHE A 88