USER MOD reduce.3.24.130724 H: found=0, std=0, add=925, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 923 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 83 GLN : amide:sc= -0.081 K(o=-0.081,f=-1.4!) USER MOD Set 1.2: A 110 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 49 THR OG1 : rot 180:sc= 0.472 USER MOD Set 2.2: A 52 CYS SG : rot 98:sc= 0.509 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 22:sc= 0.124 USER MOD Single : A 5 SER OG : rot 180:sc=-0.00518 USER MOD Single : A 6 SER OG : rot -0:sc= 1.06 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.00904 USER MOD Single : A 22 TYR OH : rot 70:sc= -1.45 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 MET CE :methyl -136:sc= -2.42! (180deg=-6.08!) USER MOD Single : A 26 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.021) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -0.284 K(o=-0.28,f=-1.4!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 162:sc= -0.0316 (180deg=-0.209) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN :FLIP amide:sc= -0.895 F(o=-1.9!,f=-0.89) USER MOD Single : A 46 HIS :FLIP no HE2:sc= -0.272 F(o=-1.1,f=-0.27) USER MOD Single : A 47 CYS SG : rot -22:sc= -1.59! USER MOD Single : A 51 ASN : amide:sc= -1.51! C(o=-1.5!,f=-4.5!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0.332 X(o=0.33,f=-0.12) USER MOD Single : A 61 GLN : amide:sc= -0.0339 X(o=-0.034,f=-0.51) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -4.13! C(o=-4.1!,f=-16!) USER MOD Single : A 67 GLN : amide:sc= -0.0401 X(o=-0.04,f=-0.3) USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot -41:sc= 1.13 USER MOD Single : A 75 SER OG : rot 45:sc= 0.658 USER MOD Single : A 78 ASN : amide:sc= -0.291 X(o=-0.29,f=-0.038) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 MET CE :methyl 135:sc= -0.161 (180deg=-1.47) USER MOD Single : A 89 SER OG : rot -100:sc= 0.0279 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot -58:sc= 1.1 USER MOD Single : A 99 ASN : amide:sc= -0.454 K(o=-0.45,f=-1.3) USER MOD Single : A 104 ASN : amide:sc= -0.233 K(o=-0.23,f=-2.1!) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 118 CYS SG : rot 22:sc= 0.374 USER MOD Single : A 121 ASN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.827 13.536 10.465 1.00 0.00 N ATOM 2 CA GLY A 1 -10.358 14.624 9.627 1.00 0.00 C ATOM 3 C GLY A 1 -10.042 15.874 10.423 1.00 0.00 C ATOM 4 O GLY A 1 -10.746 16.879 10.319 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.029 12.705 9.874 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.095 13.295 11.163 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.694 13.828 10.960 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.466 14.305 9.088 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.116 14.855 8.879 1.00 0.00 H new ATOM 8 N SER A 2 -8.982 15.813 11.223 1.00 0.00 N ATOM 9 CA SER A 2 -8.578 16.948 12.045 1.00 0.00 C ATOM 10 C SER A 2 -7.391 17.675 11.421 1.00 0.00 C ATOM 11 O SER A 2 -6.889 17.278 10.369 1.00 0.00 O ATOM 12 CB SER A 2 -8.220 16.480 13.456 1.00 0.00 C ATOM 13 OG SER A 2 -9.385 16.185 14.207 1.00 0.00 O ATOM 0 H SER A 2 -8.388 14.990 11.319 1.00 0.00 H new ATOM 0 HA SER A 2 -9.417 17.641 12.102 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.587 15.595 13.399 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.643 17.253 13.963 1.00 0.00 H new ATOM 0 HG SER A 2 -9.129 15.886 15.105 1.00 0.00 H new ATOM 19 N SER A 3 -6.947 18.742 12.078 1.00 0.00 N ATOM 20 CA SER A 3 -5.821 19.528 11.587 1.00 0.00 C ATOM 21 C SER A 3 -4.607 19.364 12.495 1.00 0.00 C ATOM 22 O SER A 3 -4.685 19.588 13.702 1.00 0.00 O ATOM 23 CB SER A 3 -6.206 21.005 11.493 1.00 0.00 C ATOM 24 OG SER A 3 -6.568 21.520 12.762 1.00 0.00 O ATOM 0 H SER A 3 -7.350 19.082 12.951 1.00 0.00 H new ATOM 0 HA SER A 3 -5.561 19.164 10.593 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.370 21.577 11.090 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.038 21.124 10.798 1.00 0.00 H new ATOM 0 HG SER A 3 -6.181 20.958 13.466 1.00 0.00 H new ATOM 30 N GLY A 4 -3.482 18.970 11.905 1.00 0.00 N ATOM 31 CA GLY A 4 -2.267 18.782 12.675 1.00 0.00 C ATOM 32 C GLY A 4 -1.024 18.783 11.806 1.00 0.00 C ATOM 33 O GLY A 4 -0.761 17.819 11.086 1.00 0.00 O ATOM 0 H GLY A 4 -3.391 18.778 10.907 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.186 19.574 13.420 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.327 17.839 13.218 1.00 0.00 H new ATOM 37 N SER A 5 -0.259 19.868 11.872 1.00 0.00 N ATOM 38 CA SER A 5 0.959 19.993 11.081 1.00 0.00 C ATOM 39 C SER A 5 1.927 20.980 11.726 1.00 0.00 C ATOM 40 O SER A 5 1.522 21.846 12.501 1.00 0.00 O ATOM 41 CB SER A 5 0.625 20.445 9.658 1.00 0.00 C ATOM 42 OG SER A 5 1.791 20.508 8.855 1.00 0.00 O ATOM 0 H SER A 5 -0.461 20.673 12.465 1.00 0.00 H new ATOM 0 HA SER A 5 1.438 19.015 11.041 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.090 19.754 9.212 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.147 21.424 9.687 1.00 0.00 H new ATOM 0 HG SER A 5 1.550 20.798 7.950 1.00 0.00 H new ATOM 48 N SER A 6 3.208 20.842 11.400 1.00 0.00 N ATOM 49 CA SER A 6 4.236 21.718 11.950 1.00 0.00 C ATOM 50 C SER A 6 5.535 21.595 11.160 1.00 0.00 C ATOM 51 O SER A 6 5.752 20.614 10.450 1.00 0.00 O ATOM 52 CB SER A 6 4.487 21.384 13.422 1.00 0.00 C ATOM 53 OG SER A 6 3.405 21.808 14.233 1.00 0.00 O ATOM 0 H SER A 6 3.559 20.132 10.758 1.00 0.00 H new ATOM 0 HA SER A 6 3.881 22.746 11.874 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.631 20.309 13.535 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.406 21.865 13.756 1.00 0.00 H new ATOM 0 HG SER A 6 2.722 22.232 13.672 1.00 0.00 H new ATOM 59 N GLY A 7 6.397 22.599 11.290 1.00 0.00 N ATOM 60 CA GLY A 7 7.664 22.585 10.583 1.00 0.00 C ATOM 61 C GLY A 7 8.014 23.937 9.993 1.00 0.00 C ATOM 62 O GLY A 7 7.133 24.676 9.553 1.00 0.00 O ATOM 0 H GLY A 7 6.240 23.422 11.872 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.454 22.275 11.266 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.623 21.843 9.785 1.00 0.00 H new ATOM 66 N ARG A 8 9.303 24.262 9.985 1.00 0.00 N ATOM 67 CA ARG A 8 9.766 25.535 9.447 1.00 0.00 C ATOM 68 C ARG A 8 9.796 25.503 7.922 1.00 0.00 C ATOM 69 O ARG A 8 9.259 26.392 7.262 1.00 0.00 O ATOM 70 CB ARG A 8 11.159 25.865 9.988 1.00 0.00 C ATOM 71 CG ARG A 8 12.215 24.836 9.619 1.00 0.00 C ATOM 72 CD ARG A 8 13.395 24.880 10.577 1.00 0.00 C ATOM 73 NE ARG A 8 14.267 23.719 10.425 1.00 0.00 N ATOM 74 CZ ARG A 8 15.492 23.649 10.934 1.00 0.00 C ATOM 75 NH1 ARG A 8 15.987 24.667 11.624 1.00 0.00 N ATOM 76 NH2 ARG A 8 16.225 22.557 10.753 1.00 0.00 N ATOM 0 H ARG A 8 10.045 23.661 10.345 1.00 0.00 H new ATOM 0 HA ARG A 8 9.067 26.310 9.763 1.00 0.00 H new ATOM 0 HB2 ARG A 8 11.465 26.840 9.608 1.00 0.00 H new ATOM 0 HB3 ARG A 8 11.108 25.947 11.074 1.00 0.00 H new ATOM 0 HG2 ARG A 8 11.773 23.840 9.630 1.00 0.00 H new ATOM 0 HG3 ARG A 8 12.563 25.019 8.602 1.00 0.00 H new ATOM 0 HD2 ARG A 8 13.969 25.790 10.403 1.00 0.00 H new ATOM 0 HD3 ARG A 8 13.028 24.926 11.602 1.00 0.00 H new ATOM 0 HE ARG A 8 13.917 22.918 9.899 1.00 0.00 H new ATOM 0 HH11 ARG A 8 15.427 25.508 11.766 1.00 0.00 H new ATOM 0 HH12 ARG A 8 16.928 24.610 12.013 1.00 0.00 H new ATOM 0 HH21 ARG A 8 15.848 21.771 10.223 1.00 0.00 H new ATOM 0 HH22 ARG A 8 17.166 22.504 11.144 1.00 0.00 H new ATOM 90 N SER A 9 10.428 24.473 7.369 1.00 0.00 N ATOM 91 CA SER A 9 10.532 24.327 5.922 1.00 0.00 C ATOM 92 C SER A 9 9.661 23.176 5.428 1.00 0.00 C ATOM 93 O SER A 9 9.076 22.440 6.224 1.00 0.00 O ATOM 94 CB SER A 9 11.988 24.090 5.515 1.00 0.00 C ATOM 95 OG SER A 9 12.450 22.835 5.983 1.00 0.00 O ATOM 0 H SER A 9 10.876 23.727 7.901 1.00 0.00 H new ATOM 0 HA SER A 9 10.179 25.250 5.463 1.00 0.00 H new ATOM 0 HB2 SER A 9 12.077 24.132 4.429 1.00 0.00 H new ATOM 0 HB3 SER A 9 12.616 24.885 5.917 1.00 0.00 H new ATOM 0 HG SER A 9 13.382 22.706 5.709 1.00 0.00 H new ATOM 101 N ILE A 10 9.579 23.028 4.110 1.00 0.00 N ATOM 102 CA ILE A 10 8.780 21.967 3.510 1.00 0.00 C ATOM 103 C ILE A 10 9.606 21.146 2.525 1.00 0.00 C ATOM 104 O ILE A 10 10.191 21.689 1.587 1.00 0.00 O ATOM 105 CB ILE A 10 7.548 22.534 2.780 1.00 0.00 C ATOM 106 CG1 ILE A 10 6.868 23.603 3.638 1.00 0.00 C ATOM 107 CG2 ILE A 10 6.571 21.417 2.444 1.00 0.00 C ATOM 108 CD1 ILE A 10 7.419 24.994 3.419 1.00 0.00 C ATOM 0 H ILE A 10 10.056 23.629 3.438 1.00 0.00 H new ATOM 0 HA ILE A 10 8.446 21.325 4.325 1.00 0.00 H new ATOM 0 HB ILE A 10 7.876 22.996 1.849 1.00 0.00 H new ATOM 0 HG12 ILE A 10 5.800 23.606 3.421 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.979 23.338 4.690 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.706 21.833 1.928 1.00 0.00 H new ATOM 0 HG22 ILE A 10 7.061 20.687 1.800 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.246 20.929 3.363 1.00 0.00 H new ATOM 0 HD11 ILE A 10 6.890 25.700 4.060 1.00 0.00 H new ATOM 0 HD12 ILE A 10 8.481 25.007 3.664 1.00 0.00 H new ATOM 0 HD13 ILE A 10 7.283 25.279 2.376 1.00 0.00 H new ATOM 120 N ARG A 11 9.650 19.836 2.745 1.00 0.00 N ATOM 121 CA ARG A 11 10.404 18.941 1.877 1.00 0.00 C ATOM 122 C ARG A 11 9.509 18.359 0.786 1.00 0.00 C ATOM 123 O ARG A 11 9.847 18.401 -0.398 1.00 0.00 O ATOM 124 CB ARG A 11 11.030 17.810 2.695 1.00 0.00 C ATOM 125 CG ARG A 11 12.157 18.268 3.606 1.00 0.00 C ATOM 126 CD ARG A 11 13.178 17.164 3.828 1.00 0.00 C ATOM 127 NE ARG A 11 14.053 17.447 4.962 1.00 0.00 N ATOM 128 CZ ARG A 11 14.825 16.534 5.541 1.00 0.00 C ATOM 129 NH1 ARG A 11 14.831 15.286 5.094 1.00 0.00 N ATOM 130 NH2 ARG A 11 15.595 16.870 6.569 1.00 0.00 N ATOM 0 H ARG A 11 9.172 19.371 3.517 1.00 0.00 H new ATOM 0 HA ARG A 11 11.197 19.519 1.402 1.00 0.00 H new ATOM 0 HB2 ARG A 11 10.255 17.338 3.299 1.00 0.00 H new ATOM 0 HB3 ARG A 11 11.411 17.049 2.014 1.00 0.00 H new ATOM 0 HG2 ARG A 11 12.649 19.137 3.169 1.00 0.00 H new ATOM 0 HG3 ARG A 11 11.746 18.583 4.565 1.00 0.00 H new ATOM 0 HD2 ARG A 11 12.660 16.220 3.997 1.00 0.00 H new ATOM 0 HD3 ARG A 11 13.780 17.041 2.928 1.00 0.00 H new ATOM 0 HE ARG A 11 14.073 18.398 5.330 1.00 0.00 H new ATOM 0 HH11 ARG A 11 14.242 15.025 4.303 1.00 0.00 H new ATOM 0 HH12 ARG A 11 15.425 14.587 5.541 1.00 0.00 H new ATOM 0 HH21 ARG A 11 15.594 17.830 6.915 1.00 0.00 H new ATOM 0 HH22 ARG A 11 16.187 16.168 7.013 1.00 0.00 H new ATOM 144 N LEU A 12 8.367 17.816 1.193 1.00 0.00 N ATOM 145 CA LEU A 12 7.423 17.225 0.251 1.00 0.00 C ATOM 146 C LEU A 12 6.776 18.299 -0.617 1.00 0.00 C ATOM 147 O LEU A 12 6.728 19.476 -0.260 1.00 0.00 O ATOM 148 CB LEU A 12 6.345 16.442 1.002 1.00 0.00 C ATOM 149 CG LEU A 12 6.732 15.034 1.457 1.00 0.00 C ATOM 150 CD1 LEU A 12 5.616 14.415 2.284 1.00 0.00 C ATOM 151 CD2 LEU A 12 7.058 14.157 0.257 1.00 0.00 C ATOM 0 H LEU A 12 8.072 17.773 2.169 1.00 0.00 H new ATOM 0 HA LEU A 12 7.973 16.543 -0.397 1.00 0.00 H new ATOM 0 HB2 LEU A 12 6.051 17.018 1.880 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.466 16.366 0.361 1.00 0.00 H new ATOM 0 HG LEU A 12 7.622 15.106 2.082 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.909 13.413 2.599 1.00 0.00 H new ATOM 0 HD12 LEU A 12 5.430 15.032 3.163 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.708 14.355 1.684 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.331 13.159 0.599 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.186 14.091 -0.393 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.891 14.592 -0.296 1.00 0.00 H new ATOM 163 N PRO A 13 6.262 17.886 -1.786 1.00 0.00 N ATOM 164 CA PRO A 13 5.605 18.796 -2.728 1.00 0.00 C ATOM 165 C PRO A 13 4.265 19.303 -2.206 1.00 0.00 C ATOM 166 O PRO A 13 3.271 18.578 -2.217 1.00 0.00 O ATOM 167 CB PRO A 13 5.401 17.931 -3.974 1.00 0.00 C ATOM 168 CG PRO A 13 5.358 16.533 -3.461 1.00 0.00 C ATOM 169 CD PRO A 13 6.283 16.497 -2.276 1.00 0.00 C ATOM 0 HA PRO A 13 6.197 19.693 -2.908 1.00 0.00 H new ATOM 0 HB2 PRO A 13 4.477 18.192 -4.490 1.00 0.00 H new ATOM 0 HB3 PRO A 13 6.214 18.066 -4.687 1.00 0.00 H new ATOM 0 HG2 PRO A 13 4.344 16.254 -3.173 1.00 0.00 H new ATOM 0 HG3 PRO A 13 5.678 15.826 -4.227 1.00 0.00 H new ATOM 0 HD2 PRO A 13 5.936 15.797 -1.516 1.00 0.00 H new ATOM 0 HD3 PRO A 13 7.288 16.186 -2.560 1.00 0.00 H new ATOM 177 N GLU A 14 4.246 20.551 -1.750 1.00 0.00 N ATOM 178 CA GLU A 14 3.027 21.153 -1.224 1.00 0.00 C ATOM 179 C GLU A 14 1.903 21.095 -2.254 1.00 0.00 C ATOM 180 O GLU A 14 0.722 21.098 -1.903 1.00 0.00 O ATOM 181 CB GLU A 14 3.284 22.605 -0.815 1.00 0.00 C ATOM 182 CG GLU A 14 3.895 23.450 -1.920 1.00 0.00 C ATOM 183 CD GLU A 14 3.617 24.930 -1.745 1.00 0.00 C ATOM 184 OE1 GLU A 14 2.515 25.376 -2.129 1.00 0.00 O ATOM 185 OE2 GLU A 14 4.500 25.643 -1.224 1.00 0.00 O ATOM 0 H GLU A 14 5.061 21.165 -1.734 1.00 0.00 H new ATOM 0 HA GLU A 14 2.721 20.584 -0.346 1.00 0.00 H new ATOM 0 HB2 GLU A 14 2.343 23.057 -0.502 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.947 22.618 0.050 1.00 0.00 H new ATOM 0 HG2 GLU A 14 4.972 23.287 -1.943 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.502 23.122 -2.882 1.00 0.00 H new ATOM 192 N THR A 15 2.278 21.042 -3.528 1.00 0.00 N ATOM 193 CA THR A 15 1.303 20.985 -4.610 1.00 0.00 C ATOM 194 C THR A 15 0.720 19.584 -4.751 1.00 0.00 C ATOM 195 O THR A 15 -0.010 19.298 -5.701 1.00 0.00 O ATOM 196 CB THR A 15 1.929 21.406 -5.953 1.00 0.00 C ATOM 197 OG1 THR A 15 3.175 20.727 -6.147 1.00 0.00 O ATOM 198 CG2 THR A 15 2.153 22.910 -5.998 1.00 0.00 C ATOM 0 H THR A 15 3.250 21.037 -3.836 1.00 0.00 H new ATOM 0 HA THR A 15 0.506 21.683 -4.355 1.00 0.00 H new ATOM 0 HB THR A 15 1.239 21.133 -6.752 1.00 0.00 H new ATOM 0 HG1 THR A 15 3.566 20.999 -7.004 1.00 0.00 H new ATOM 0 HG21 THR A 15 2.596 23.183 -6.956 1.00 0.00 H new ATOM 0 HG22 THR A 15 1.199 23.424 -5.879 1.00 0.00 H new ATOM 0 HG23 THR A 15 2.825 23.202 -5.191 1.00 0.00 H new ATOM 206 N ILE A 16 1.045 18.714 -3.801 1.00 0.00 N ATOM 207 CA ILE A 16 0.551 17.343 -3.819 1.00 0.00 C ATOM 208 C ILE A 16 0.163 16.879 -2.419 1.00 0.00 C ATOM 209 O ILE A 16 0.571 17.475 -1.422 1.00 0.00 O ATOM 210 CB ILE A 16 1.601 16.374 -4.396 1.00 0.00 C ATOM 211 CG1 ILE A 16 2.206 16.949 -5.678 1.00 0.00 C ATOM 212 CG2 ILE A 16 0.975 15.013 -4.662 1.00 0.00 C ATOM 213 CD1 ILE A 16 3.358 16.131 -6.221 1.00 0.00 C ATOM 0 H ILE A 16 1.649 18.934 -3.009 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.331 17.334 -4.459 1.00 0.00 H new ATOM 0 HB ILE A 16 2.400 16.248 -3.665 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.428 17.017 -6.439 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.551 17.964 -5.484 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.729 14.339 -5.069 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.587 14.602 -3.730 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.160 15.121 -5.378 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.738 16.597 -7.130 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.153 16.084 -5.477 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.013 15.122 -6.447 1.00 0.00 H new ATOM 225 N ASP A 17 -0.625 15.812 -2.352 1.00 0.00 N ATOM 226 CA ASP A 17 -1.066 15.266 -1.074 1.00 0.00 C ATOM 227 C ASP A 17 -0.952 13.745 -1.065 1.00 0.00 C ATOM 228 O ASP A 17 -1.693 13.052 -1.763 1.00 0.00 O ATOM 229 CB ASP A 17 -2.509 15.684 -0.788 1.00 0.00 C ATOM 230 CG ASP A 17 -2.916 15.414 0.648 1.00 0.00 C ATOM 231 OD1 ASP A 17 -2.379 16.087 1.552 1.00 0.00 O ATOM 232 OD2 ASP A 17 -3.771 14.530 0.867 1.00 0.00 O ATOM 0 H ASP A 17 -0.972 15.308 -3.168 1.00 0.00 H new ATOM 0 HA ASP A 17 -0.419 15.665 -0.293 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -2.626 16.746 -1.002 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -3.180 15.148 -1.460 1.00 0.00 H new ATOM 237 N LEU A 18 -0.019 13.231 -0.271 1.00 0.00 N ATOM 238 CA LEU A 18 0.193 11.792 -0.171 1.00 0.00 C ATOM 239 C LEU A 18 -1.137 11.045 -0.147 1.00 0.00 C ATOM 240 O LEU A 18 -1.352 10.113 -0.920 1.00 0.00 O ATOM 241 CB LEU A 18 1.000 11.461 1.086 1.00 0.00 C ATOM 242 CG LEU A 18 2.518 11.405 0.914 1.00 0.00 C ATOM 243 CD1 LEU A 18 3.216 11.705 2.232 1.00 0.00 C ATOM 244 CD2 LEU A 18 2.944 10.045 0.380 1.00 0.00 C ATOM 0 H LEU A 18 0.603 13.790 0.313 1.00 0.00 H new ATOM 0 HA LEU A 18 0.753 11.471 -1.049 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.768 12.205 1.849 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.662 10.497 1.467 1.00 0.00 H new ATOM 0 HG LEU A 18 2.811 12.165 0.190 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.296 11.661 2.090 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.936 12.701 2.574 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.917 10.968 2.978 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.028 10.023 0.264 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.638 9.267 1.080 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.472 9.869 -0.587 1.00 0.00 H new ATOM 256 N GLY A 19 -2.028 11.464 0.747 1.00 0.00 N ATOM 257 CA GLY A 19 -3.327 10.826 0.854 1.00 0.00 C ATOM 258 C GLY A 19 -3.992 10.634 -0.495 1.00 0.00 C ATOM 259 O GLY A 19 -4.443 9.537 -0.822 1.00 0.00 O ATOM 0 H GLY A 19 -1.873 12.233 1.399 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.214 9.857 1.341 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -3.973 11.429 1.492 1.00 0.00 H new ATOM 263 N ALA A 20 -4.054 11.705 -1.280 1.00 0.00 N ATOM 264 CA ALA A 20 -4.668 11.649 -2.601 1.00 0.00 C ATOM 265 C ALA A 20 -3.893 10.719 -3.528 1.00 0.00 C ATOM 266 O ALA A 20 -4.481 10.016 -4.352 1.00 0.00 O ATOM 267 CB ALA A 20 -4.755 13.045 -3.202 1.00 0.00 C ATOM 0 H ALA A 20 -3.687 12.621 -1.024 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.676 11.250 -2.489 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.215 12.988 -4.188 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.359 13.682 -2.556 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.753 13.465 -3.293 1.00 0.00 H new ATOM 273 N LEU A 21 -2.572 10.720 -3.389 1.00 0.00 N ATOM 274 CA LEU A 21 -1.716 9.875 -4.215 1.00 0.00 C ATOM 275 C LEU A 21 -1.986 8.398 -3.947 1.00 0.00 C ATOM 276 O LEU A 21 -2.225 7.622 -4.873 1.00 0.00 O ATOM 277 CB LEU A 21 -0.244 10.193 -3.949 1.00 0.00 C ATOM 278 CG LEU A 21 0.764 9.556 -4.906 1.00 0.00 C ATOM 279 CD1 LEU A 21 0.156 8.343 -5.592 1.00 0.00 C ATOM 280 CD2 LEU A 21 1.237 10.572 -5.936 1.00 0.00 C ATOM 0 H LEU A 21 -2.070 11.296 -2.713 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.943 10.082 -5.261 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.115 11.275 -3.984 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.002 9.876 -2.935 1.00 0.00 H new ATOM 0 HG LEU A 21 1.627 9.226 -4.327 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.888 7.903 -6.269 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.132 7.607 -4.841 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.724 8.648 -6.158 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.954 10.101 -6.609 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.383 10.933 -6.510 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.713 11.411 -5.428 1.00 0.00 H new ATOM 292 N TYR A 22 -1.948 8.017 -2.675 1.00 0.00 N ATOM 293 CA TYR A 22 -2.189 6.633 -2.285 1.00 0.00 C ATOM 294 C TYR A 22 -3.486 6.112 -2.897 1.00 0.00 C ATOM 295 O TYR A 22 -3.595 4.934 -3.239 1.00 0.00 O ATOM 296 CB TYR A 22 -2.246 6.513 -0.761 1.00 0.00 C ATOM 297 CG TYR A 22 -2.924 5.251 -0.278 1.00 0.00 C ATOM 298 CD1 TYR A 22 -2.235 4.045 -0.228 1.00 0.00 C ATOM 299 CD2 TYR A 22 -4.253 5.263 0.127 1.00 0.00 C ATOM 300 CE1 TYR A 22 -2.851 2.889 0.212 1.00 0.00 C ATOM 301 CE2 TYR A 22 -4.875 4.113 0.570 1.00 0.00 C ATOM 302 CZ TYR A 22 -4.170 2.928 0.610 1.00 0.00 C ATOM 303 OH TYR A 22 -4.788 1.779 1.049 1.00 0.00 O ATOM 0 H TYR A 22 -1.753 8.647 -1.897 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.364 6.028 -2.660 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.231 6.545 -0.364 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.774 7.377 -0.356 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -1.201 4.011 -0.538 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -4.809 6.188 0.095 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -2.302 1.960 0.244 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -5.908 4.141 0.884 1.00 0.00 H new ATOM 0 HH TYR A 22 -4.417 1.519 1.918 1.00 0.00 H new ATOM 313 N LEU A 23 -4.466 6.998 -3.031 1.00 0.00 N ATOM 314 CA LEU A 23 -5.757 6.629 -3.602 1.00 0.00 C ATOM 315 C LEU A 23 -5.612 6.235 -5.068 1.00 0.00 C ATOM 316 O LEU A 23 -6.238 5.281 -5.530 1.00 0.00 O ATOM 317 CB LEU A 23 -6.745 7.790 -3.470 1.00 0.00 C ATOM 318 CG LEU A 23 -7.260 8.075 -2.058 1.00 0.00 C ATOM 319 CD1 LEU A 23 -7.877 9.463 -1.986 1.00 0.00 C ATOM 320 CD2 LEU A 23 -8.270 7.018 -1.635 1.00 0.00 C ATOM 0 H LEU A 23 -4.392 7.976 -2.752 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.138 5.770 -3.050 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.267 8.693 -3.850 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.601 7.587 -4.114 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.416 8.038 -1.369 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.238 9.649 -0.974 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -7.126 10.209 -2.246 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -8.710 9.528 -2.686 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.626 7.237 -0.628 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -9.113 7.023 -2.326 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.796 6.036 -1.647 1.00 0.00 H new ATOM 332 N SER A 24 -4.780 6.975 -5.795 1.00 0.00 N ATOM 333 CA SER A 24 -4.553 6.704 -7.209 1.00 0.00 C ATOM 334 C SER A 24 -3.921 5.329 -7.404 1.00 0.00 C ATOM 335 O SER A 24 -4.086 4.700 -8.450 1.00 0.00 O ATOM 336 CB SER A 24 -3.654 7.781 -7.819 1.00 0.00 C ATOM 337 OG SER A 24 -4.417 8.893 -8.258 1.00 0.00 O ATOM 0 H SER A 24 -4.252 7.767 -5.427 1.00 0.00 H new ATOM 0 HA SER A 24 -5.518 6.717 -7.715 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.920 8.107 -7.082 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.098 7.363 -8.658 1.00 0.00 H new ATOM 0 HG SER A 24 -3.820 9.568 -8.642 1.00 0.00 H new ATOM 343 N MET A 25 -3.196 4.868 -6.390 1.00 0.00 N ATOM 344 CA MET A 25 -2.540 3.567 -6.448 1.00 0.00 C ATOM 345 C MET A 25 -3.526 2.446 -6.134 1.00 0.00 C ATOM 346 O MET A 25 -3.311 1.293 -6.509 1.00 0.00 O ATOM 347 CB MET A 25 -1.367 3.519 -5.468 1.00 0.00 C ATOM 348 CG MET A 25 -0.504 4.770 -5.492 1.00 0.00 C ATOM 349 SD MET A 25 0.911 4.660 -4.379 1.00 0.00 S ATOM 350 CE MET A 25 2.260 4.981 -5.513 1.00 0.00 C ATOM 0 H MET A 25 -3.048 5.376 -5.518 1.00 0.00 H new ATOM 0 HA MET A 25 -2.164 3.423 -7.461 1.00 0.00 H new ATOM 0 HB2 MET A 25 -1.753 3.373 -4.459 1.00 0.00 H new ATOM 0 HB3 MET A 25 -0.745 2.654 -5.700 1.00 0.00 H new ATOM 0 HG2 MET A 25 -0.149 4.942 -6.508 1.00 0.00 H new ATOM 0 HG3 MET A 25 -1.112 5.631 -5.216 1.00 0.00 H new ATOM 0 HE1 MET A 25 3.070 4.276 -5.324 1.00 0.00 H new ATOM 0 HE2 MET A 25 1.909 4.865 -6.538 1.00 0.00 H new ATOM 0 HE3 MET A 25 2.624 5.998 -5.367 1.00 0.00 H new ATOM 360 N LYS A 26 -4.608 2.792 -5.445 1.00 0.00 N ATOM 361 CA LYS A 26 -5.628 1.816 -5.081 1.00 0.00 C ATOM 362 C LYS A 26 -6.466 1.426 -6.294 1.00 0.00 C ATOM 363 O LYS A 26 -7.053 0.345 -6.334 1.00 0.00 O ATOM 364 CB LYS A 26 -6.533 2.379 -3.982 1.00 0.00 C ATOM 365 CG LYS A 26 -5.848 2.497 -2.632 1.00 0.00 C ATOM 366 CD LYS A 26 -6.836 2.329 -1.489 1.00 0.00 C ATOM 367 CE LYS A 26 -7.526 3.642 -1.151 1.00 0.00 C ATOM 368 NZ LYS A 26 -8.305 3.549 0.115 1.00 0.00 N ATOM 0 H LYS A 26 -4.801 3.742 -5.127 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.125 0.924 -4.708 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -6.891 3.363 -4.286 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -7.409 1.739 -3.881 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -5.066 1.742 -2.552 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -5.361 3.469 -2.554 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -7.583 1.583 -1.759 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -6.315 1.953 -0.608 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -6.780 4.432 -1.061 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -8.191 3.923 -1.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -8.676 4.488 0.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -9.097 2.887 -0.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -7.687 3.207 0.879 1.00 0.00 H new ATOM 382 N ASP A 27 -6.516 2.313 -7.282 1.00 0.00 N ATOM 383 CA ASP A 27 -7.280 2.060 -8.498 1.00 0.00 C ATOM 384 C ASP A 27 -6.865 0.738 -9.136 1.00 0.00 C ATOM 385 O ASP A 27 -5.733 0.282 -8.968 1.00 0.00 O ATOM 386 CB ASP A 27 -7.085 3.204 -9.495 1.00 0.00 C ATOM 387 CG ASP A 27 -8.230 3.312 -10.483 1.00 0.00 C ATOM 388 OD1 ASP A 27 -8.368 2.406 -11.333 1.00 0.00 O ATOM 389 OD2 ASP A 27 -8.988 4.301 -10.406 1.00 0.00 O ATOM 0 H ASP A 27 -6.037 3.213 -7.265 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.334 1.998 -8.229 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.988 4.144 -8.951 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.153 3.053 -10.039 1.00 0.00 H new ATOM 394 N THR A 28 -7.790 0.123 -9.867 1.00 0.00 N ATOM 395 CA THR A 28 -7.522 -1.148 -10.528 1.00 0.00 C ATOM 396 C THR A 28 -6.846 -0.934 -11.877 1.00 0.00 C ATOM 397 O THR A 28 -6.032 -1.750 -12.310 1.00 0.00 O ATOM 398 CB THR A 28 -8.816 -1.956 -10.737 1.00 0.00 C ATOM 399 OG1 THR A 28 -8.506 -3.344 -10.901 1.00 0.00 O ATOM 400 CG2 THR A 28 -9.576 -1.454 -11.956 1.00 0.00 C ATOM 0 H THR A 28 -8.732 0.485 -10.016 1.00 0.00 H new ATOM 0 HA THR A 28 -6.854 -1.709 -9.875 1.00 0.00 H new ATOM 0 HB THR A 28 -9.445 -1.826 -9.857 1.00 0.00 H new ATOM 0 HG1 THR A 28 -9.334 -3.851 -11.032 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.486 -2.040 -12.084 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.836 -0.405 -11.816 1.00 0.00 H new ATOM 0 HG23 THR A 28 -8.951 -1.557 -12.843 1.00 0.00 H new ATOM 408 N GLU A 29 -7.187 0.168 -12.538 1.00 0.00 N ATOM 409 CA GLU A 29 -6.612 0.487 -13.839 1.00 0.00 C ATOM 410 C GLU A 29 -5.692 1.701 -13.744 1.00 0.00 C ATOM 411 O GLU A 29 -4.778 1.867 -14.552 1.00 0.00 O ATOM 412 CB GLU A 29 -7.720 0.752 -14.860 1.00 0.00 C ATOM 413 CG GLU A 29 -8.899 1.524 -14.293 1.00 0.00 C ATOM 414 CD GLU A 29 -9.611 2.356 -15.342 1.00 0.00 C ATOM 415 OE1 GLU A 29 -9.480 2.035 -16.542 1.00 0.00 O ATOM 416 OE2 GLU A 29 -10.299 3.327 -14.963 1.00 0.00 O ATOM 0 H GLU A 29 -7.858 0.854 -12.194 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.023 -0.369 -14.167 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -7.303 1.308 -15.700 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.076 -0.200 -15.253 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.606 0.824 -13.848 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.550 2.176 -13.493 1.00 0.00 H new ATOM 423 N LYS A 30 -5.941 2.548 -12.751 1.00 0.00 N ATOM 424 CA LYS A 30 -5.136 3.747 -12.548 1.00 0.00 C ATOM 425 C LYS A 30 -4.259 3.610 -11.308 1.00 0.00 C ATOM 426 O LYS A 30 -3.691 4.590 -10.826 1.00 0.00 O ATOM 427 CB LYS A 30 -6.040 4.975 -12.414 1.00 0.00 C ATOM 428 CG LYS A 30 -7.176 5.008 -13.422 1.00 0.00 C ATOM 429 CD LYS A 30 -6.759 5.698 -14.710 1.00 0.00 C ATOM 430 CE LYS A 30 -7.038 7.192 -14.657 1.00 0.00 C ATOM 431 NZ LYS A 30 -6.967 7.818 -16.006 1.00 0.00 N ATOM 0 H LYS A 30 -6.694 2.426 -12.074 1.00 0.00 H new ATOM 0 HA LYS A 30 -4.489 3.872 -13.416 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.458 5.000 -11.408 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -5.436 5.875 -12.531 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.499 3.990 -13.641 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -8.032 5.527 -12.990 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -5.696 5.531 -14.886 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -7.294 5.256 -15.551 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -8.026 7.362 -14.229 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -6.317 7.673 -13.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -7.163 8.836 -15.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -6.016 7.678 -16.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -7.672 7.377 -16.631 1.00 0.00 H new ATOM 445 N GLY A 31 -4.152 2.388 -10.796 1.00 0.00 N ATOM 446 CA GLY A 31 -3.341 2.146 -9.617 1.00 0.00 C ATOM 447 C GLY A 31 -2.254 1.119 -9.862 1.00 0.00 C ATOM 448 O GLY A 31 -2.192 0.515 -10.933 1.00 0.00 O ATOM 0 H GLY A 31 -4.612 1.561 -11.177 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.886 3.082 -9.294 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -3.981 1.806 -8.803 1.00 0.00 H new ATOM 452 N ILE A 32 -1.393 0.922 -8.869 1.00 0.00 N ATOM 453 CA ILE A 32 -0.302 -0.038 -8.983 1.00 0.00 C ATOM 454 C ILE A 32 -0.827 -1.470 -8.973 1.00 0.00 C ATOM 455 O ILE A 32 -1.602 -1.853 -8.097 1.00 0.00 O ATOM 456 CB ILE A 32 0.718 0.131 -7.842 1.00 0.00 C ATOM 457 CG1 ILE A 32 1.355 1.520 -7.899 1.00 0.00 C ATOM 458 CG2 ILE A 32 1.785 -0.951 -7.921 1.00 0.00 C ATOM 459 CD1 ILE A 32 2.063 1.914 -6.621 1.00 0.00 C ATOM 0 H ILE A 32 -1.430 1.415 -7.977 1.00 0.00 H new ATOM 0 HA ILE A 32 0.193 0.158 -9.934 1.00 0.00 H new ATOM 0 HB ILE A 32 0.196 0.031 -6.890 1.00 0.00 H new ATOM 0 HG12 ILE A 32 2.067 1.550 -8.723 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.582 2.256 -8.118 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.499 -0.818 -7.108 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.316 -1.931 -7.836 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.306 -0.880 -8.876 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.490 2.910 -6.734 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.350 1.916 -5.796 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.859 1.199 -6.411 1.00 0.00 H new ATOM 471 N LYS A 33 -0.398 -2.258 -9.953 1.00 0.00 N ATOM 472 CA LYS A 33 -0.821 -3.649 -10.058 1.00 0.00 C ATOM 473 C LYS A 33 0.139 -4.567 -9.308 1.00 0.00 C ATOM 474 O LYS A 33 1.356 -4.397 -9.377 1.00 0.00 O ATOM 475 CB LYS A 33 -0.904 -4.070 -11.527 1.00 0.00 C ATOM 476 CG LYS A 33 0.436 -4.049 -12.242 1.00 0.00 C ATOM 477 CD LYS A 33 1.151 -5.385 -12.126 1.00 0.00 C ATOM 478 CE LYS A 33 0.763 -6.325 -13.257 1.00 0.00 C ATOM 479 NZ LYS A 33 1.635 -6.146 -14.451 1.00 0.00 N ATOM 0 H LYS A 33 0.243 -1.956 -10.687 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.809 -3.737 -9.606 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.322 -5.075 -11.585 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.595 -3.407 -12.048 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.284 -3.807 -13.294 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.062 -3.262 -11.821 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.229 -5.224 -12.139 1.00 0.00 H new ATOM 0 HD3 LYS A 33 0.909 -5.847 -11.169 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.829 -7.356 -12.911 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.276 -6.148 -13.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 1.338 -6.804 -15.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 1.553 -5.169 -14.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.623 -6.340 -14.191 1.00 0.00 H new ATOM 493 N GLU A 34 -0.417 -5.541 -8.594 1.00 0.00 N ATOM 494 CA GLU A 34 0.392 -6.486 -7.833 1.00 0.00 C ATOM 495 C GLU A 34 0.725 -7.716 -8.672 1.00 0.00 C ATOM 496 O GLU A 34 0.013 -8.046 -9.621 1.00 0.00 O ATOM 497 CB GLU A 34 -0.342 -6.908 -6.558 1.00 0.00 C ATOM 498 CG GLU A 34 -0.715 -5.744 -5.657 1.00 0.00 C ATOM 499 CD GLU A 34 -1.978 -6.005 -4.859 1.00 0.00 C ATOM 500 OE1 GLU A 34 -2.766 -6.883 -5.268 1.00 0.00 O ATOM 501 OE2 GLU A 34 -2.178 -5.331 -3.827 1.00 0.00 O ATOM 0 H GLU A 34 -1.423 -5.696 -8.527 1.00 0.00 H new ATOM 0 HA GLU A 34 1.324 -5.991 -7.560 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.248 -7.449 -6.832 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.287 -7.602 -6.000 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.108 -5.542 -4.972 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.852 -4.849 -6.264 1.00 0.00 H new ATOM 508 N LEU A 35 1.813 -8.391 -8.316 1.00 0.00 N ATOM 509 CA LEU A 35 2.243 -9.585 -9.036 1.00 0.00 C ATOM 510 C LEU A 35 2.241 -10.804 -8.118 1.00 0.00 C ATOM 511 O LEU A 35 2.006 -10.688 -6.917 1.00 0.00 O ATOM 512 CB LEU A 35 3.640 -9.376 -9.622 1.00 0.00 C ATOM 513 CG LEU A 35 3.742 -8.373 -10.772 1.00 0.00 C ATOM 514 CD1 LEU A 35 2.580 -8.548 -11.737 1.00 0.00 C ATOM 515 CD2 LEU A 35 3.783 -6.949 -10.236 1.00 0.00 C ATOM 0 H LEU A 35 2.413 -8.132 -7.533 1.00 0.00 H new ATOM 0 HA LEU A 35 1.538 -9.763 -9.848 1.00 0.00 H new ATOM 0 HB2 LEU A 35 4.303 -9.049 -8.821 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.013 -10.339 -9.972 1.00 0.00 H new ATOM 0 HG LEU A 35 4.669 -8.563 -11.313 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.669 -7.826 -12.549 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.596 -9.558 -12.146 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.641 -8.386 -11.209 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.856 -6.249 -11.068 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.874 -6.747 -9.670 1.00 0.00 H new ATOM 0 HD23 LEU A 35 4.649 -6.830 -9.585 1.00 0.00 H new ATOM 527 N ASN A 36 2.507 -11.972 -8.694 1.00 0.00 N ATOM 528 CA ASN A 36 2.538 -13.212 -7.928 1.00 0.00 C ATOM 529 C ASN A 36 3.861 -13.945 -8.132 1.00 0.00 C ATOM 530 O ASN A 36 3.942 -14.898 -8.909 1.00 0.00 O ATOM 531 CB ASN A 36 1.373 -14.116 -8.335 1.00 0.00 C ATOM 532 CG ASN A 36 1.010 -13.968 -9.800 1.00 0.00 C ATOM 533 OD1 ASN A 36 0.510 -12.926 -10.224 1.00 0.00 O ATOM 534 ND2 ASN A 36 1.262 -15.013 -10.580 1.00 0.00 N ATOM 0 H ASN A 36 2.704 -12.085 -9.688 1.00 0.00 H new ATOM 0 HA ASN A 36 2.442 -12.960 -6.872 1.00 0.00 H new ATOM 0 HB2 ASN A 36 1.634 -15.154 -8.132 1.00 0.00 H new ATOM 0 HB3 ASN A 36 0.503 -13.880 -7.722 1.00 0.00 H new ATOM 0 HD21 ASN A 36 1.040 -14.972 -11.575 1.00 0.00 H new ATOM 0 HD22 ASN A 36 1.678 -15.856 -10.184 1.00 0.00 H new ATOM 541 N LEU A 37 4.895 -13.494 -7.431 1.00 0.00 N ATOM 542 CA LEU A 37 6.215 -14.107 -7.534 1.00 0.00 C ATOM 543 C LEU A 37 6.388 -15.206 -6.490 1.00 0.00 C ATOM 544 O LEU A 37 5.782 -15.159 -5.420 1.00 0.00 O ATOM 545 CB LEU A 37 7.305 -13.048 -7.362 1.00 0.00 C ATOM 546 CG LEU A 37 7.109 -11.749 -8.145 1.00 0.00 C ATOM 547 CD1 LEU A 37 7.825 -10.598 -7.457 1.00 0.00 C ATOM 548 CD2 LEU A 37 7.603 -11.909 -9.575 1.00 0.00 C ATOM 0 H LEU A 37 4.845 -12.706 -6.785 1.00 0.00 H new ATOM 0 HA LEU A 37 6.305 -14.555 -8.524 1.00 0.00 H new ATOM 0 HB2 LEU A 37 7.381 -12.802 -6.303 1.00 0.00 H new ATOM 0 HB3 LEU A 37 8.259 -13.486 -7.657 1.00 0.00 H new ATOM 0 HG LEU A 37 6.043 -11.521 -8.173 1.00 0.00 H new ATOM 0 HD11 LEU A 37 7.674 -9.682 -8.028 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.424 -10.469 -6.452 1.00 0.00 H new ATOM 0 HD13 LEU A 37 8.891 -10.817 -7.397 1.00 0.00 H new ATOM 0 HD21 LEU A 37 7.456 -10.975 -10.117 1.00 0.00 H new ATOM 0 HD22 LEU A 37 8.663 -12.161 -9.568 1.00 0.00 H new ATOM 0 HD23 LEU A 37 7.044 -12.706 -10.066 1.00 0.00 H new ATOM 560 N GLU A 38 7.221 -16.191 -6.808 1.00 0.00 N ATOM 561 CA GLU A 38 7.475 -17.301 -5.897 1.00 0.00 C ATOM 562 C GLU A 38 8.941 -17.335 -5.476 1.00 0.00 C ATOM 563 O GLU A 38 9.763 -18.005 -6.102 1.00 0.00 O ATOM 564 CB GLU A 38 7.090 -18.628 -6.554 1.00 0.00 C ATOM 565 CG GLU A 38 7.292 -19.834 -5.652 1.00 0.00 C ATOM 566 CD GLU A 38 6.820 -21.126 -6.291 1.00 0.00 C ATOM 567 OE1 GLU A 38 5.666 -21.164 -6.768 1.00 0.00 O ATOM 568 OE2 GLU A 38 7.603 -22.098 -6.315 1.00 0.00 O ATOM 0 H GLU A 38 7.732 -16.243 -7.689 1.00 0.00 H new ATOM 0 HA GLU A 38 6.863 -17.154 -5.007 1.00 0.00 H new ATOM 0 HB2 GLU A 38 6.044 -18.583 -6.858 1.00 0.00 H new ATOM 0 HB3 GLU A 38 7.680 -18.760 -7.461 1.00 0.00 H new ATOM 0 HG2 GLU A 38 8.349 -19.922 -5.401 1.00 0.00 H new ATOM 0 HG3 GLU A 38 6.754 -19.678 -4.717 1.00 0.00 H new ATOM 575 N LYS A 39 9.263 -16.608 -4.412 1.00 0.00 N ATOM 576 CA LYS A 39 10.629 -16.554 -3.906 1.00 0.00 C ATOM 577 C LYS A 39 10.938 -17.772 -3.041 1.00 0.00 C ATOM 578 O LYS A 39 10.125 -18.691 -2.935 1.00 0.00 O ATOM 579 CB LYS A 39 10.845 -15.273 -3.096 1.00 0.00 C ATOM 580 CG LYS A 39 12.227 -14.669 -3.271 1.00 0.00 C ATOM 581 CD LYS A 39 12.243 -13.618 -4.368 1.00 0.00 C ATOM 582 CE LYS A 39 12.365 -14.252 -5.745 1.00 0.00 C ATOM 583 NZ LYS A 39 12.802 -13.267 -6.773 1.00 0.00 N ATOM 0 H LYS A 39 8.595 -16.047 -3.883 1.00 0.00 H new ATOM 0 HA LYS A 39 11.306 -16.555 -4.760 1.00 0.00 H new ATOM 0 HB2 LYS A 39 10.096 -14.537 -3.389 1.00 0.00 H new ATOM 0 HB3 LYS A 39 10.683 -15.489 -2.040 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.550 -14.220 -2.332 1.00 0.00 H new ATOM 0 HG3 LYS A 39 12.941 -15.457 -3.510 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.330 -13.025 -4.319 1.00 0.00 H new ATOM 0 HD3 LYS A 39 13.076 -12.934 -4.206 1.00 0.00 H new ATOM 0 HE2 LYS A 39 13.079 -15.075 -5.704 1.00 0.00 H new ATOM 0 HE3 LYS A 39 11.404 -14.678 -6.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 12.873 -13.738 -7.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 12.108 -12.494 -6.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 13.730 -12.879 -6.510 1.00 0.00 H new ATOM 597 N ASP A 40 12.114 -17.771 -2.425 1.00 0.00 N ATOM 598 CA ASP A 40 12.528 -18.876 -1.567 1.00 0.00 C ATOM 599 C ASP A 40 11.360 -19.378 -0.725 1.00 0.00 C ATOM 600 O ASP A 40 11.007 -18.775 0.289 1.00 0.00 O ATOM 601 CB ASP A 40 13.678 -18.440 -0.658 1.00 0.00 C ATOM 602 CG ASP A 40 15.028 -18.551 -1.338 1.00 0.00 C ATOM 603 OD1 ASP A 40 15.172 -19.408 -2.235 1.00 0.00 O ATOM 604 OD2 ASP A 40 15.941 -17.781 -0.973 1.00 0.00 O ATOM 0 H ASP A 40 12.798 -17.018 -2.503 1.00 0.00 H new ATOM 0 HA ASP A 40 12.868 -19.691 -2.205 1.00 0.00 H new ATOM 0 HB2 ASP A 40 13.517 -17.409 -0.343 1.00 0.00 H new ATOM 0 HB3 ASP A 40 13.677 -19.053 0.243 1.00 0.00 H new ATOM 609 N LYS A 41 10.762 -20.485 -1.152 1.00 0.00 N ATOM 610 CA LYS A 41 9.632 -21.069 -0.439 1.00 0.00 C ATOM 611 C LYS A 41 8.713 -19.982 0.109 1.00 0.00 C ATOM 612 O LYS A 41 8.118 -20.137 1.176 1.00 0.00 O ATOM 613 CB LYS A 41 10.129 -21.956 0.705 1.00 0.00 C ATOM 614 CG LYS A 41 11.412 -22.702 0.383 1.00 0.00 C ATOM 615 CD LYS A 41 11.546 -23.966 1.216 1.00 0.00 C ATOM 616 CE LYS A 41 12.989 -24.445 1.275 1.00 0.00 C ATOM 617 NZ LYS A 41 13.837 -23.548 2.108 1.00 0.00 N ATOM 0 H LYS A 41 11.041 -20.996 -1.989 1.00 0.00 H new ATOM 0 HA LYS A 41 9.065 -21.678 -1.144 1.00 0.00 H new ATOM 0 HB2 LYS A 41 10.290 -21.339 1.589 1.00 0.00 H new ATOM 0 HB3 LYS A 41 9.352 -22.678 0.957 1.00 0.00 H new ATOM 0 HG2 LYS A 41 11.428 -22.960 -0.676 1.00 0.00 H new ATOM 0 HG3 LYS A 41 12.268 -22.052 0.566 1.00 0.00 H new ATOM 0 HD2 LYS A 41 11.183 -23.777 2.226 1.00 0.00 H new ATOM 0 HD3 LYS A 41 10.918 -24.750 0.793 1.00 0.00 H new ATOM 0 HE2 LYS A 41 13.020 -25.456 1.682 1.00 0.00 H new ATOM 0 HE3 LYS A 41 13.397 -24.496 0.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 14.709 -24.046 2.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 14.079 -22.695 1.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 13.316 -23.275 2.966 1.00 0.00 H new ATOM 631 N LYS A 42 8.600 -18.882 -0.628 1.00 0.00 N ATOM 632 CA LYS A 42 7.751 -17.770 -0.219 1.00 0.00 C ATOM 633 C LYS A 42 7.081 -17.123 -1.427 1.00 0.00 C ATOM 634 O LYS A 42 7.755 -16.612 -2.322 1.00 0.00 O ATOM 635 CB LYS A 42 8.574 -16.727 0.541 1.00 0.00 C ATOM 636 CG LYS A 42 9.068 -17.209 1.894 1.00 0.00 C ATOM 637 CD LYS A 42 10.120 -16.276 2.468 1.00 0.00 C ATOM 638 CE LYS A 42 11.519 -16.665 2.015 1.00 0.00 C ATOM 639 NZ LYS A 42 12.538 -15.667 2.440 1.00 0.00 N ATOM 0 H LYS A 42 9.087 -18.737 -1.513 1.00 0.00 H new ATOM 0 HA LYS A 42 6.974 -18.161 0.438 1.00 0.00 H new ATOM 0 HB2 LYS A 42 9.431 -16.439 -0.068 1.00 0.00 H new ATOM 0 HB3 LYS A 42 7.969 -15.832 0.683 1.00 0.00 H new ATOM 0 HG2 LYS A 42 8.228 -17.280 2.585 1.00 0.00 H new ATOM 0 HG3 LYS A 42 9.485 -18.211 1.794 1.00 0.00 H new ATOM 0 HD2 LYS A 42 9.908 -15.253 2.158 1.00 0.00 H new ATOM 0 HD3 LYS A 42 10.070 -16.296 3.557 1.00 0.00 H new ATOM 0 HE2 LYS A 42 11.775 -17.642 2.425 1.00 0.00 H new ATOM 0 HE3 LYS A 42 11.535 -16.761 0.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 13.478 -15.969 2.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 12.309 -14.740 2.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 12.541 -15.594 3.477 1.00 0.00 H new ATOM 653 N ILE A 43 5.753 -17.147 -1.444 1.00 0.00 N ATOM 654 CA ILE A 43 4.993 -16.561 -2.541 1.00 0.00 C ATOM 655 C ILE A 43 4.236 -15.319 -2.083 1.00 0.00 C ATOM 656 O ILE A 43 3.203 -15.418 -1.419 1.00 0.00 O ATOM 657 CB ILE A 43 3.992 -17.569 -3.135 1.00 0.00 C ATOM 658 CG1 ILE A 43 4.736 -18.697 -3.854 1.00 0.00 C ATOM 659 CG2 ILE A 43 3.035 -16.868 -4.087 1.00 0.00 C ATOM 660 CD1 ILE A 43 3.839 -19.837 -4.281 1.00 0.00 C ATOM 0 H ILE A 43 5.181 -17.566 -0.711 1.00 0.00 H new ATOM 0 HA ILE A 43 5.713 -16.282 -3.310 1.00 0.00 H new ATOM 0 HB ILE A 43 3.411 -18.003 -2.321 1.00 0.00 H new ATOM 0 HG12 ILE A 43 5.235 -18.289 -4.733 1.00 0.00 H new ATOM 0 HG13 ILE A 43 5.514 -19.085 -3.197 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.334 -17.594 -4.498 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.484 -16.097 -3.547 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.600 -16.409 -4.898 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.434 -20.599 -4.784 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.360 -20.271 -3.404 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.076 -19.463 -4.964 1.00 0.00 H new ATOM 672 N PHE A 44 4.754 -14.150 -2.443 1.00 0.00 N ATOM 673 CA PHE A 44 4.126 -12.888 -2.070 1.00 0.00 C ATOM 674 C PHE A 44 2.981 -12.549 -3.019 1.00 0.00 C ATOM 675 O PHE A 44 3.204 -12.166 -4.167 1.00 0.00 O ATOM 676 CB PHE A 44 5.159 -11.759 -2.075 1.00 0.00 C ATOM 677 CG PHE A 44 6.392 -12.071 -1.277 1.00 0.00 C ATOM 678 CD1 PHE A 44 7.412 -12.834 -1.822 1.00 0.00 C ATOM 679 CD2 PHE A 44 6.532 -11.601 0.019 1.00 0.00 C ATOM 680 CE1 PHE A 44 8.547 -13.124 -1.090 1.00 0.00 C ATOM 681 CE2 PHE A 44 7.666 -11.887 0.756 1.00 0.00 C ATOM 682 CZ PHE A 44 8.675 -12.648 0.201 1.00 0.00 C ATOM 0 H PHE A 44 5.607 -14.050 -2.993 1.00 0.00 H new ATOM 0 HA PHE A 44 3.721 -12.996 -1.064 1.00 0.00 H new ATOM 0 HB2 PHE A 44 5.447 -11.545 -3.104 1.00 0.00 H new ATOM 0 HB3 PHE A 44 4.698 -10.854 -1.678 1.00 0.00 H new ATOM 0 HD1 PHE A 44 7.319 -13.207 -2.831 1.00 0.00 H new ATOM 0 HD2 PHE A 44 5.746 -11.004 0.458 1.00 0.00 H new ATOM 0 HE1 PHE A 44 9.333 -13.722 -1.526 1.00 0.00 H new ATOM 0 HE2 PHE A 44 7.762 -11.515 1.765 1.00 0.00 H new ATOM 0 HZ PHE A 44 9.563 -12.871 0.774 1.00 0.00 H new ATOM 692 N ASN A 45 1.753 -12.693 -2.531 1.00 0.00 N ATOM 693 CA ASN A 45 0.571 -12.403 -3.336 1.00 0.00 C ATOM 694 C ASN A 45 0.114 -10.962 -3.131 1.00 0.00 C ATOM 695 O ASN A 45 0.442 -10.332 -2.125 1.00 0.00 O ATOM 696 CB ASN A 45 -0.563 -13.366 -2.979 1.00 0.00 C ATOM 697 CG ASN A 45 -0.415 -14.712 -3.661 1.00 0.00 C ATOM 698 OD1 ASN A 45 0.346 -15.608 -3.043 1.00 0.00 O flip ATOM 699 ND2 ASN A 45 -0.978 -14.944 -4.731 1.00 0.00 N flip ATOM 0 H ASN A 45 1.550 -13.009 -1.582 1.00 0.00 H new ATOM 0 HA ASN A 45 0.834 -12.536 -4.385 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.587 -13.510 -1.899 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.517 -12.921 -3.263 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -1.554 -14.226 -5.171 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -0.869 -15.854 -5.178 1.00 0.00 H new ATOM 706 N HIS A 46 -0.647 -10.447 -4.091 1.00 0.00 N ATOM 707 CA HIS A 46 -1.152 -9.080 -4.016 1.00 0.00 C ATOM 708 C HIS A 46 -0.043 -8.113 -3.610 1.00 0.00 C ATOM 709 O HIS A 46 -0.298 -7.100 -2.959 1.00 0.00 O ATOM 710 CB HIS A 46 -2.308 -8.995 -3.019 1.00 0.00 C ATOM 711 CG HIS A 46 -3.395 -9.994 -3.275 1.00 0.00 C ATOM 712 ND1 HIS A 46 -3.831 -11.037 -2.532 1.00 0.00 N flip ATOM 713 CD2 HIS A 46 -4.171 -9.985 -4.415 1.00 0.00 C flip ATOM 714 CE1 HIS A 46 -4.854 -11.633 -3.228 1.00 0.00 C flip ATOM 715 NE2 HIS A 46 -5.040 -10.979 -4.360 1.00 0.00 N flip ATOM 0 H HIS A 46 -0.928 -10.955 -4.930 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.513 -8.797 -5.005 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -1.920 -9.143 -2.011 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -2.733 -7.992 -3.052 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -3.468 -11.327 -1.624 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.082 -9.277 -5.226 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -5.415 -12.496 -2.902 1.00 0.00 H new ATOM 724 N CYS A 47 1.186 -8.434 -3.999 1.00 0.00 N ATOM 725 CA CYS A 47 2.334 -7.594 -3.675 1.00 0.00 C ATOM 726 C CYS A 47 3.051 -7.140 -4.942 1.00 0.00 C ATOM 727 O CYS A 47 3.095 -7.865 -5.936 1.00 0.00 O ATOM 728 CB CYS A 47 3.305 -8.351 -2.768 1.00 0.00 C ATOM 729 SG CYS A 47 4.239 -7.292 -1.639 1.00 0.00 S ATOM 0 H CYS A 47 1.413 -9.269 -4.539 1.00 0.00 H new ATOM 0 HA CYS A 47 1.970 -6.711 -3.150 1.00 0.00 H new ATOM 0 HB2 CYS A 47 2.745 -9.082 -2.184 1.00 0.00 H new ATOM 0 HB3 CYS A 47 4.006 -8.909 -3.389 1.00 0.00 H new ATOM 0 HG CYS A 47 4.265 -6.078 -2.104 1.00 0.00 H new ATOM 735 N PHE A 48 3.609 -5.935 -4.900 1.00 0.00 N ATOM 736 CA PHE A 48 4.321 -5.382 -6.046 1.00 0.00 C ATOM 737 C PHE A 48 5.789 -5.139 -5.708 1.00 0.00 C ATOM 738 O PHE A 48 6.177 -5.130 -4.539 1.00 0.00 O ATOM 739 CB PHE A 48 3.667 -4.075 -6.499 1.00 0.00 C ATOM 740 CG PHE A 48 3.134 -3.248 -5.364 1.00 0.00 C ATOM 741 CD1 PHE A 48 3.972 -2.407 -4.649 1.00 0.00 C ATOM 742 CD2 PHE A 48 1.795 -3.310 -5.013 1.00 0.00 C ATOM 743 CE1 PHE A 48 3.484 -1.645 -3.604 1.00 0.00 C ATOM 744 CE2 PHE A 48 1.301 -2.551 -3.969 1.00 0.00 C ATOM 745 CZ PHE A 48 2.147 -1.716 -3.265 1.00 0.00 C ATOM 0 H PHE A 48 3.582 -5.323 -4.085 1.00 0.00 H new ATOM 0 HA PHE A 48 4.268 -6.106 -6.859 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.396 -3.487 -7.056 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.852 -4.304 -7.185 1.00 0.00 H new ATOM 0 HD1 PHE A 48 5.018 -2.346 -4.911 1.00 0.00 H new ATOM 0 HD2 PHE A 48 1.129 -3.959 -5.562 1.00 0.00 H new ATOM 0 HE1 PHE A 48 4.148 -0.995 -3.053 1.00 0.00 H new ATOM 0 HE2 PHE A 48 0.256 -2.611 -3.704 1.00 0.00 H new ATOM 0 HZ PHE A 48 1.763 -1.119 -2.451 1.00 0.00 H new ATOM 755 N THR A 49 6.604 -4.943 -6.741 1.00 0.00 N ATOM 756 CA THR A 49 8.029 -4.702 -6.555 1.00 0.00 C ATOM 757 C THR A 49 8.307 -3.227 -6.293 1.00 0.00 C ATOM 758 O THR A 49 7.404 -2.394 -6.354 1.00 0.00 O ATOM 759 CB THR A 49 8.840 -5.155 -7.784 1.00 0.00 C ATOM 760 OG1 THR A 49 8.359 -4.494 -8.959 1.00 0.00 O ATOM 761 CG2 THR A 49 8.745 -6.662 -7.969 1.00 0.00 C ATOM 0 H THR A 49 6.301 -4.947 -7.715 1.00 0.00 H new ATOM 0 HA THR A 49 8.338 -5.287 -5.689 1.00 0.00 H new ATOM 0 HB THR A 49 9.885 -4.890 -7.621 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.881 -4.786 -9.735 1.00 0.00 H new ATOM 0 HG21 THR A 49 9.325 -6.959 -8.843 1.00 0.00 H new ATOM 0 HG22 THR A 49 9.139 -7.163 -7.085 1.00 0.00 H new ATOM 0 HG23 THR A 49 7.702 -6.946 -8.112 1.00 0.00 H new ATOM 769 N GLY A 50 9.565 -2.909 -6.001 1.00 0.00 N ATOM 770 CA GLY A 50 9.939 -1.532 -5.734 1.00 0.00 C ATOM 771 C GLY A 50 9.895 -0.668 -6.978 1.00 0.00 C ATOM 772 O GLY A 50 9.137 0.298 -7.044 1.00 0.00 O ATOM 0 H GLY A 50 10.331 -3.580 -5.945 1.00 0.00 H new ATOM 0 HA2 GLY A 50 9.268 -1.116 -4.982 1.00 0.00 H new ATOM 0 HA3 GLY A 50 10.944 -1.507 -5.313 1.00 0.00 H new ATOM 776 N ASN A 51 10.713 -1.015 -7.967 1.00 0.00 N ATOM 777 CA ASN A 51 10.766 -0.262 -9.215 1.00 0.00 C ATOM 778 C ASN A 51 9.366 0.146 -9.664 1.00 0.00 C ATOM 779 O ASN A 51 9.087 1.329 -9.864 1.00 0.00 O ATOM 780 CB ASN A 51 11.443 -1.092 -10.307 1.00 0.00 C ATOM 781 CG ASN A 51 11.447 -0.387 -11.650 1.00 0.00 C ATOM 782 OD1 ASN A 51 10.761 0.618 -11.838 1.00 0.00 O ATOM 783 ND2 ASN A 51 12.222 -0.912 -12.592 1.00 0.00 N ATOM 0 H ASN A 51 11.348 -1.812 -7.928 1.00 0.00 H new ATOM 0 HA ASN A 51 11.350 0.642 -9.041 1.00 0.00 H new ATOM 0 HB2 ASN A 51 12.469 -1.309 -10.011 1.00 0.00 H new ATOM 0 HB3 ASN A 51 10.930 -2.049 -10.403 1.00 0.00 H new ATOM 0 HD21 ASN A 51 12.265 -0.481 -13.515 1.00 0.00 H new ATOM 0 HD22 ASN A 51 12.774 -1.746 -12.392 1.00 0.00 H new ATOM 790 N CYS A 52 8.490 -0.840 -9.820 1.00 0.00 N ATOM 791 CA CYS A 52 7.119 -0.585 -10.246 1.00 0.00 C ATOM 792 C CYS A 52 6.563 0.663 -9.568 1.00 0.00 C ATOM 793 O CYS A 52 6.005 1.542 -10.225 1.00 0.00 O ATOM 794 CB CYS A 52 6.232 -1.790 -9.929 1.00 0.00 C ATOM 795 SG CYS A 52 6.430 -3.174 -11.075 1.00 0.00 S ATOM 0 H CYS A 52 8.705 -1.824 -9.658 1.00 0.00 H new ATOM 0 HA CYS A 52 7.124 -0.420 -11.323 1.00 0.00 H new ATOM 0 HB2 CYS A 52 6.453 -2.134 -8.919 1.00 0.00 H new ATOM 0 HB3 CYS A 52 5.189 -1.472 -9.937 1.00 0.00 H new ATOM 0 HG CYS A 52 7.235 -4.054 -10.558 1.00 0.00 H new ATOM 801 N VAL A 53 6.718 0.734 -8.250 1.00 0.00 N ATOM 802 CA VAL A 53 6.231 1.874 -7.483 1.00 0.00 C ATOM 803 C VAL A 53 6.768 3.185 -8.046 1.00 0.00 C ATOM 804 O VAL A 53 6.004 4.107 -8.335 1.00 0.00 O ATOM 805 CB VAL A 53 6.630 1.764 -5.999 1.00 0.00 C ATOM 806 CG1 VAL A 53 6.233 3.024 -5.244 1.00 0.00 C ATOM 807 CG2 VAL A 53 5.997 0.533 -5.368 1.00 0.00 C ATOM 0 H VAL A 53 7.177 0.015 -7.691 1.00 0.00 H new ATOM 0 HA VAL A 53 5.144 1.866 -7.561 1.00 0.00 H new ATOM 0 HB VAL A 53 7.713 1.660 -5.939 1.00 0.00 H new ATOM 0 HG11 VAL A 53 6.523 2.928 -4.198 1.00 0.00 H new ATOM 0 HG12 VAL A 53 6.737 3.885 -5.683 1.00 0.00 H new ATOM 0 HG13 VAL A 53 5.154 3.163 -5.310 1.00 0.00 H new ATOM 0 HG21 VAL A 53 6.289 0.470 -4.320 1.00 0.00 H new ATOM 0 HG22 VAL A 53 4.912 0.605 -5.439 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.336 -0.360 -5.893 1.00 0.00 H new ATOM 817 N ILE A 54 8.085 3.261 -8.200 1.00 0.00 N ATOM 818 CA ILE A 54 8.724 4.458 -8.731 1.00 0.00 C ATOM 819 C ILE A 54 8.177 4.808 -10.110 1.00 0.00 C ATOM 820 O ILE A 54 7.610 5.882 -10.311 1.00 0.00 O ATOM 821 CB ILE A 54 10.252 4.287 -8.825 1.00 0.00 C ATOM 822 CG1 ILE A 54 10.814 3.787 -7.493 1.00 0.00 C ATOM 823 CG2 ILE A 54 10.908 5.600 -9.224 1.00 0.00 C ATOM 824 CD1 ILE A 54 10.505 4.699 -6.326 1.00 0.00 C ATOM 0 H ILE A 54 8.731 2.507 -7.964 1.00 0.00 H new ATOM 0 HA ILE A 54 8.500 5.269 -8.038 1.00 0.00 H new ATOM 0 HB ILE A 54 10.473 3.545 -9.592 1.00 0.00 H new ATOM 0 HG12 ILE A 54 10.409 2.796 -7.286 1.00 0.00 H new ATOM 0 HG13 ILE A 54 11.895 3.678 -7.582 1.00 0.00 H new ATOM 0 HG21 ILE A 54 11.988 5.463 -9.286 1.00 0.00 H new ATOM 0 HG22 ILE A 54 10.526 5.918 -10.194 1.00 0.00 H new ATOM 0 HG23 ILE A 54 10.681 6.362 -8.478 1.00 0.00 H new ATOM 0 HD11 ILE A 54 10.934 4.282 -5.415 1.00 0.00 H new ATOM 0 HD12 ILE A 54 10.933 5.684 -6.511 1.00 0.00 H new ATOM 0 HD13 ILE A 54 9.425 4.789 -6.210 1.00 0.00 H new ATOM 836 N ASP A 55 8.349 3.894 -11.058 1.00 0.00 N ATOM 837 CA ASP A 55 7.870 4.103 -12.419 1.00 0.00 C ATOM 838 C ASP A 55 6.416 4.563 -12.419 1.00 0.00 C ATOM 839 O ASP A 55 6.070 5.562 -13.050 1.00 0.00 O ATOM 840 CB ASP A 55 8.011 2.818 -13.236 1.00 0.00 C ATOM 841 CG ASP A 55 7.601 3.004 -14.684 1.00 0.00 C ATOM 842 OD1 ASP A 55 6.401 3.241 -14.935 1.00 0.00 O ATOM 843 OD2 ASP A 55 8.480 2.913 -15.566 1.00 0.00 O ATOM 0 H ASP A 55 8.817 3.000 -10.909 1.00 0.00 H new ATOM 0 HA ASP A 55 8.479 4.883 -12.876 1.00 0.00 H new ATOM 0 HB2 ASP A 55 9.045 2.477 -13.195 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.400 2.036 -12.786 1.00 0.00 H new ATOM 848 N TRP A 56 5.569 3.828 -11.708 1.00 0.00 N ATOM 849 CA TRP A 56 4.151 4.160 -11.626 1.00 0.00 C ATOM 850 C TRP A 56 3.953 5.662 -11.452 1.00 0.00 C ATOM 851 O TRP A 56 3.131 6.273 -12.136 1.00 0.00 O ATOM 852 CB TRP A 56 3.496 3.409 -10.466 1.00 0.00 C ATOM 853 CG TRP A 56 2.022 3.655 -10.356 1.00 0.00 C ATOM 854 CD1 TRP A 56 1.019 2.832 -10.784 1.00 0.00 C ATOM 855 CD2 TRP A 56 1.385 4.802 -9.783 1.00 0.00 C ATOM 856 NE1 TRP A 56 -0.203 3.398 -10.511 1.00 0.00 N ATOM 857 CE2 TRP A 56 -0.006 4.606 -9.896 1.00 0.00 C ATOM 858 CE3 TRP A 56 1.853 5.974 -9.183 1.00 0.00 C ATOM 859 CZ2 TRP A 56 -0.929 5.540 -9.433 1.00 0.00 C ATOM 860 CZ3 TRP A 56 0.936 6.900 -8.724 1.00 0.00 C ATOM 861 CH2 TRP A 56 -0.442 6.679 -8.850 1.00 0.00 C ATOM 0 H TRP A 56 5.839 2.998 -11.180 1.00 0.00 H new ATOM 0 HA TRP A 56 3.678 3.856 -12.559 1.00 0.00 H new ATOM 0 HB2 TRP A 56 3.670 2.340 -10.590 1.00 0.00 H new ATOM 0 HB3 TRP A 56 3.977 3.704 -9.534 1.00 0.00 H new ATOM 0 HD1 TRP A 56 1.165 1.877 -11.266 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -1.110 2.986 -10.731 1.00 0.00 H new ATOM 0 HE3 TRP A 56 2.913 6.153 -9.080 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -1.991 5.372 -9.530 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 1.287 7.810 -8.260 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -1.133 7.422 -8.480 1.00 0.00 H new ATOM 872 N LEU A 57 4.710 6.251 -10.533 1.00 0.00 N ATOM 873 CA LEU A 57 4.617 7.683 -10.269 1.00 0.00 C ATOM 874 C LEU A 57 4.919 8.490 -11.528 1.00 0.00 C ATOM 875 O LEU A 57 4.186 9.416 -11.875 1.00 0.00 O ATOM 876 CB LEU A 57 5.585 8.080 -9.152 1.00 0.00 C ATOM 877 CG LEU A 57 5.261 7.536 -7.760 1.00 0.00 C ATOM 878 CD1 LEU A 57 6.514 7.492 -6.900 1.00 0.00 C ATOM 879 CD2 LEU A 57 4.185 8.382 -7.095 1.00 0.00 C ATOM 0 H LEU A 57 5.395 5.760 -9.958 1.00 0.00 H new ATOM 0 HA LEU A 57 3.597 7.903 -9.954 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.585 7.744 -9.428 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.618 9.168 -9.097 1.00 0.00 H new ATOM 0 HG LEU A 57 4.882 6.519 -7.866 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.264 7.102 -5.913 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.255 6.844 -7.369 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.922 8.498 -6.800 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.967 7.981 -6.105 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.537 9.409 -7.001 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.280 8.363 -7.702 1.00 0.00 H new ATOM 891 N VAL A 58 6.001 8.129 -12.211 1.00 0.00 N ATOM 892 CA VAL A 58 6.397 8.817 -13.434 1.00 0.00 C ATOM 893 C VAL A 58 5.326 8.685 -14.511 1.00 0.00 C ATOM 894 O VAL A 58 4.856 9.682 -15.059 1.00 0.00 O ATOM 895 CB VAL A 58 7.729 8.267 -13.980 1.00 0.00 C ATOM 896 CG1 VAL A 58 8.217 9.113 -15.147 1.00 0.00 C ATOM 897 CG2 VAL A 58 8.774 8.212 -12.877 1.00 0.00 C ATOM 0 H VAL A 58 6.619 7.364 -11.938 1.00 0.00 H new ATOM 0 HA VAL A 58 6.523 9.869 -13.179 1.00 0.00 H new ATOM 0 HB VAL A 58 7.563 7.252 -14.342 1.00 0.00 H new ATOM 0 HG11 VAL A 58 9.159 8.710 -15.520 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.474 9.096 -15.944 1.00 0.00 H new ATOM 0 HG13 VAL A 58 8.368 10.140 -14.814 1.00 0.00 H new ATOM 0 HG21 VAL A 58 9.708 7.821 -13.280 1.00 0.00 H new ATOM 0 HG22 VAL A 58 8.940 9.215 -12.483 1.00 0.00 H new ATOM 0 HG23 VAL A 58 8.424 7.561 -12.076 1.00 0.00 H new ATOM 907 N SER A 59 4.944 7.447 -14.809 1.00 0.00 N ATOM 908 CA SER A 59 3.929 7.184 -15.823 1.00 0.00 C ATOM 909 C SER A 59 2.648 7.956 -15.523 1.00 0.00 C ATOM 910 O SER A 59 1.922 8.352 -16.434 1.00 0.00 O ATOM 911 CB SER A 59 3.629 5.685 -15.897 1.00 0.00 C ATOM 912 OG SER A 59 2.952 5.360 -17.099 1.00 0.00 O ATOM 0 H SER A 59 5.322 6.611 -14.363 1.00 0.00 H new ATOM 0 HA SER A 59 4.317 7.518 -16.785 1.00 0.00 H new ATOM 0 HB2 SER A 59 4.560 5.121 -15.836 1.00 0.00 H new ATOM 0 HB3 SER A 59 3.021 5.390 -15.042 1.00 0.00 H new ATOM 0 HG SER A 59 2.773 4.397 -17.123 1.00 0.00 H new ATOM 918 N ASN A 60 2.378 8.167 -14.239 1.00 0.00 N ATOM 919 CA ASN A 60 1.185 8.892 -13.818 1.00 0.00 C ATOM 920 C ASN A 60 1.424 10.398 -13.849 1.00 0.00 C ATOM 921 O ASN A 60 0.658 11.170 -13.273 1.00 0.00 O ATOM 922 CB ASN A 60 0.770 8.459 -12.410 1.00 0.00 C ATOM 923 CG ASN A 60 -0.150 7.254 -12.424 1.00 0.00 C ATOM 924 OD1 ASN A 60 -1.318 7.347 -12.045 1.00 0.00 O ATOM 925 ND2 ASN A 60 0.373 6.114 -12.861 1.00 0.00 N ATOM 0 H ASN A 60 2.969 7.846 -13.472 1.00 0.00 H new ATOM 0 HA ASN A 60 0.382 8.655 -14.516 1.00 0.00 H new ATOM 0 HB2 ASN A 60 1.661 8.226 -11.827 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.270 9.289 -11.910 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -0.198 5.270 -12.892 1.00 0.00 H new ATOM 0 HD22 ASN A 60 1.346 6.083 -13.165 1.00 0.00 H new ATOM 932 N GLN A 61 2.491 10.809 -14.526 1.00 0.00 N ATOM 933 CA GLN A 61 2.831 12.223 -14.632 1.00 0.00 C ATOM 934 C GLN A 61 2.877 12.876 -13.255 1.00 0.00 C ATOM 935 O GLN A 61 2.563 14.057 -13.107 1.00 0.00 O ATOM 936 CB GLN A 61 1.818 12.947 -15.520 1.00 0.00 C ATOM 937 CG GLN A 61 1.525 12.224 -16.825 1.00 0.00 C ATOM 938 CD GLN A 61 0.223 12.671 -17.460 1.00 0.00 C ATOM 939 OE1 GLN A 61 -0.801 12.791 -16.787 1.00 0.00 O ATOM 940 NE2 GLN A 61 0.256 12.919 -18.764 1.00 0.00 N ATOM 0 H GLN A 61 3.135 10.183 -15.009 1.00 0.00 H new ATOM 0 HA GLN A 61 3.820 12.301 -15.084 1.00 0.00 H new ATOM 0 HB2 GLN A 61 0.887 13.072 -14.967 1.00 0.00 H new ATOM 0 HB3 GLN A 61 2.193 13.946 -15.744 1.00 0.00 H new ATOM 0 HG2 GLN A 61 2.344 12.397 -17.524 1.00 0.00 H new ATOM 0 HG3 GLN A 61 1.485 11.151 -16.640 1.00 0.00 H new ATOM 0 HE21 GLN A 61 1.127 12.806 -19.283 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -0.590 13.222 -19.247 1.00 0.00 H new ATOM 949 N SER A 62 3.269 12.100 -12.250 1.00 0.00 N ATOM 950 CA SER A 62 3.352 12.602 -10.883 1.00 0.00 C ATOM 951 C SER A 62 4.707 13.254 -10.626 1.00 0.00 C ATOM 952 O SER A 62 4.789 14.328 -10.030 1.00 0.00 O ATOM 953 CB SER A 62 3.122 11.466 -9.885 1.00 0.00 C ATOM 954 OG SER A 62 1.808 10.947 -9.998 1.00 0.00 O ATOM 0 H SER A 62 3.534 11.121 -12.356 1.00 0.00 H new ATOM 0 HA SER A 62 2.575 13.355 -10.750 1.00 0.00 H new ATOM 0 HB2 SER A 62 3.847 10.671 -10.060 1.00 0.00 H new ATOM 0 HB3 SER A 62 3.287 11.830 -8.871 1.00 0.00 H new ATOM 0 HG SER A 62 1.686 10.221 -9.351 1.00 0.00 H new ATOM 960 N VAL A 63 5.770 12.596 -11.079 1.00 0.00 N ATOM 961 CA VAL A 63 7.122 13.110 -10.899 1.00 0.00 C ATOM 962 C VAL A 63 7.790 13.381 -12.242 1.00 0.00 C ATOM 963 O VAL A 63 7.201 13.148 -13.298 1.00 0.00 O ATOM 964 CB VAL A 63 7.994 12.128 -10.094 1.00 0.00 C ATOM 965 CG1 VAL A 63 7.602 12.147 -8.624 1.00 0.00 C ATOM 966 CG2 VAL A 63 7.880 10.723 -10.666 1.00 0.00 C ATOM 0 H VAL A 63 5.720 11.705 -11.574 1.00 0.00 H new ATOM 0 HA VAL A 63 7.034 14.044 -10.345 1.00 0.00 H new ATOM 0 HB VAL A 63 9.034 12.445 -10.172 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.229 11.447 -8.071 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.740 13.151 -8.224 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.556 11.856 -8.522 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.502 10.042 -10.085 1.00 0.00 H new ATOM 0 HG22 VAL A 63 6.842 10.394 -10.620 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.214 10.724 -11.704 1.00 0.00 H new ATOM 976 N ARG A 64 9.023 13.875 -12.195 1.00 0.00 N ATOM 977 CA ARG A 64 9.771 14.180 -13.408 1.00 0.00 C ATOM 978 C ARG A 64 10.548 12.957 -13.889 1.00 0.00 C ATOM 979 O ARG A 64 10.626 12.691 -15.087 1.00 0.00 O ATOM 980 CB ARG A 64 10.733 15.344 -13.162 1.00 0.00 C ATOM 981 CG ARG A 64 10.040 16.621 -12.714 1.00 0.00 C ATOM 982 CD ARG A 64 10.983 17.813 -12.766 1.00 0.00 C ATOM 983 NE ARG A 64 11.051 18.398 -14.103 1.00 0.00 N ATOM 984 CZ ARG A 64 10.016 18.967 -14.710 1.00 0.00 C ATOM 985 NH1 ARG A 64 8.838 19.026 -14.104 1.00 0.00 N ATOM 986 NH2 ARG A 64 10.157 19.477 -15.927 1.00 0.00 N ATOM 0 H ARG A 64 9.525 14.072 -11.329 1.00 0.00 H new ATOM 0 HA ARG A 64 9.058 14.465 -14.182 1.00 0.00 H new ATOM 0 HB2 ARG A 64 11.460 15.050 -12.405 1.00 0.00 H new ATOM 0 HB3 ARG A 64 11.290 15.544 -14.078 1.00 0.00 H new ATOM 0 HG2 ARG A 64 9.176 16.811 -13.351 1.00 0.00 H new ATOM 0 HG3 ARG A 64 9.665 16.496 -11.698 1.00 0.00 H new ATOM 0 HD2 ARG A 64 10.651 18.570 -12.055 1.00 0.00 H new ATOM 0 HD3 ARG A 64 11.980 17.501 -12.456 1.00 0.00 H new ATOM 0 HE ARG A 64 11.943 18.368 -14.597 1.00 0.00 H new ATOM 0 HH11 ARG A 64 8.725 18.634 -13.169 1.00 0.00 H new ATOM 0 HH12 ARG A 64 8.045 19.464 -14.573 1.00 0.00 H new ATOM 0 HH21 ARG A 64 11.061 19.432 -16.397 1.00 0.00 H new ATOM 0 HH22 ARG A 64 9.361 19.914 -16.392 1.00 0.00 H new ATOM 1000 N ASN A 65 11.122 12.219 -12.944 1.00 0.00 N ATOM 1001 CA ASN A 65 11.894 11.025 -13.271 1.00 0.00 C ATOM 1002 C ASN A 65 11.849 10.018 -12.126 1.00 0.00 C ATOM 1003 O ASN A 65 11.196 10.248 -11.108 1.00 0.00 O ATOM 1004 CB ASN A 65 13.345 11.400 -13.580 1.00 0.00 C ATOM 1005 CG ASN A 65 14.214 11.419 -12.337 1.00 0.00 C ATOM 1006 OD1 ASN A 65 14.651 10.374 -11.855 1.00 0.00 O ATOM 1007 ND2 ASN A 65 14.468 12.612 -11.811 1.00 0.00 N ATOM 0 H ASN A 65 11.067 12.426 -11.947 1.00 0.00 H new ATOM 0 HA ASN A 65 11.449 10.565 -14.153 1.00 0.00 H new ATOM 0 HB2 ASN A 65 13.756 10.689 -14.297 1.00 0.00 H new ATOM 0 HB3 ASN A 65 13.371 12.382 -14.053 1.00 0.00 H new ATOM 0 HD21 ASN A 65 15.046 12.688 -10.974 1.00 0.00 H new ATOM 0 HD22 ASN A 65 14.085 13.452 -12.244 1.00 0.00 H new ATOM 1014 N ARG A 66 12.549 8.901 -12.300 1.00 0.00 N ATOM 1015 CA ARG A 66 12.589 7.859 -11.282 1.00 0.00 C ATOM 1016 C ARG A 66 13.016 8.431 -9.933 1.00 0.00 C ATOM 1017 O ARG A 66 12.263 8.382 -8.962 1.00 0.00 O ATOM 1018 CB ARG A 66 13.548 6.743 -11.701 1.00 0.00 C ATOM 1019 CG ARG A 66 12.889 5.654 -12.531 1.00 0.00 C ATOM 1020 CD ARG A 66 12.755 6.068 -13.988 1.00 0.00 C ATOM 1021 NE ARG A 66 11.957 5.116 -14.757 1.00 0.00 N ATOM 1022 CZ ARG A 66 11.938 5.076 -16.084 1.00 0.00 C ATOM 1023 NH1 ARG A 66 12.670 5.930 -16.787 1.00 0.00 N ATOM 1024 NH2 ARG A 66 11.186 4.181 -16.712 1.00 0.00 N ATOM 0 H ARG A 66 13.096 8.695 -13.136 1.00 0.00 H new ATOM 0 HA ARG A 66 11.585 7.447 -11.181 1.00 0.00 H new ATOM 0 HB2 ARG A 66 14.369 7.176 -12.272 1.00 0.00 H new ATOM 0 HB3 ARG A 66 13.983 6.294 -10.808 1.00 0.00 H new ATOM 0 HG2 ARG A 66 13.477 4.738 -12.464 1.00 0.00 H new ATOM 0 HG3 ARG A 66 11.903 5.430 -12.123 1.00 0.00 H new ATOM 0 HD2 ARG A 66 12.295 7.055 -14.044 1.00 0.00 H new ATOM 0 HD3 ARG A 66 13.746 6.153 -14.433 1.00 0.00 H new ATOM 0 HE ARG A 66 11.383 4.445 -14.246 1.00 0.00 H new ATOM 0 HH11 ARG A 66 13.249 6.620 -16.308 1.00 0.00 H new ATOM 0 HH12 ARG A 66 12.654 5.897 -17.806 1.00 0.00 H new ATOM 0 HH21 ARG A 66 10.621 3.523 -16.175 1.00 0.00 H new ATOM 0 HH22 ARG A 66 11.172 4.152 -17.731 1.00 0.00 H new ATOM 1038 N GLN A 67 14.229 8.972 -9.884 1.00 0.00 N ATOM 1039 CA GLN A 67 14.756 9.553 -8.655 1.00 0.00 C ATOM 1040 C GLN A 67 13.697 10.395 -7.952 1.00 0.00 C ATOM 1041 O GLN A 67 13.517 10.296 -6.739 1.00 0.00 O ATOM 1042 CB GLN A 67 15.987 10.409 -8.957 1.00 0.00 C ATOM 1043 CG GLN A 67 17.293 9.632 -8.923 1.00 0.00 C ATOM 1044 CD GLN A 67 17.915 9.598 -7.541 1.00 0.00 C ATOM 1045 OE1 GLN A 67 18.034 10.627 -6.875 1.00 0.00 O ATOM 1046 NE2 GLN A 67 18.316 8.410 -7.101 1.00 0.00 N ATOM 0 H GLN A 67 14.865 9.020 -10.680 1.00 0.00 H new ATOM 0 HA GLN A 67 15.043 8.737 -7.992 1.00 0.00 H new ATOM 0 HB2 GLN A 67 15.870 10.864 -9.941 1.00 0.00 H new ATOM 0 HB3 GLN A 67 16.039 11.223 -8.234 1.00 0.00 H new ATOM 0 HG2 GLN A 67 17.113 8.612 -9.262 1.00 0.00 H new ATOM 0 HG3 GLN A 67 17.997 10.081 -9.623 1.00 0.00 H new ATOM 0 HE21 GLN A 67 18.198 7.583 -7.686 1.00 0.00 H new ATOM 0 HE22 GLN A 67 18.742 8.325 -6.178 1.00 0.00 H new ATOM 1055 N GLU A 68 12.998 11.223 -8.723 1.00 0.00 N ATOM 1056 CA GLU A 68 11.957 12.083 -8.172 1.00 0.00 C ATOM 1057 C GLU A 68 10.911 11.260 -7.425 1.00 0.00 C ATOM 1058 O GLU A 68 10.426 11.664 -6.370 1.00 0.00 O ATOM 1059 CB GLU A 68 11.288 12.888 -9.288 1.00 0.00 C ATOM 1060 CG GLU A 68 12.126 14.054 -9.784 1.00 0.00 C ATOM 1061 CD GLU A 68 12.680 14.898 -8.652 1.00 0.00 C ATOM 1062 OE1 GLU A 68 11.997 15.860 -8.241 1.00 0.00 O ATOM 1063 OE2 GLU A 68 13.795 14.597 -8.178 1.00 0.00 O ATOM 0 H GLU A 68 13.134 11.316 -9.730 1.00 0.00 H new ATOM 0 HA GLU A 68 12.424 12.771 -7.467 1.00 0.00 H new ATOM 0 HB2 GLU A 68 11.074 12.224 -10.125 1.00 0.00 H new ATOM 0 HB3 GLU A 68 10.331 13.266 -8.928 1.00 0.00 H new ATOM 0 HG2 GLU A 68 12.951 13.673 -10.386 1.00 0.00 H new ATOM 0 HG3 GLU A 68 11.519 14.681 -10.436 1.00 0.00 H new ATOM 1070 N GLY A 69 10.568 10.103 -7.983 1.00 0.00 N ATOM 1071 CA GLY A 69 9.581 9.242 -7.358 1.00 0.00 C ATOM 1072 C GLY A 69 10.127 8.525 -6.139 1.00 0.00 C ATOM 1073 O GLY A 69 9.370 7.940 -5.363 1.00 0.00 O ATOM 0 H GLY A 69 10.956 9.747 -8.856 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.715 9.837 -7.068 1.00 0.00 H new ATOM 0 HA3 GLY A 69 9.234 8.506 -8.083 1.00 0.00 H new ATOM 1077 N LEU A 70 11.443 8.568 -5.969 1.00 0.00 N ATOM 1078 CA LEU A 70 12.091 7.916 -4.836 1.00 0.00 C ATOM 1079 C LEU A 70 11.592 8.495 -3.517 1.00 0.00 C ATOM 1080 O LEU A 70 11.253 7.758 -2.592 1.00 0.00 O ATOM 1081 CB LEU A 70 13.610 8.070 -4.933 1.00 0.00 C ATOM 1082 CG LEU A 70 14.439 6.919 -4.362 1.00 0.00 C ATOM 1083 CD1 LEU A 70 13.802 6.382 -3.090 1.00 0.00 C ATOM 1084 CD2 LEU A 70 14.594 5.810 -5.392 1.00 0.00 C ATOM 0 H LEU A 70 12.083 9.048 -6.602 1.00 0.00 H new ATOM 0 HA LEU A 70 11.838 6.856 -4.865 1.00 0.00 H new ATOM 0 HB2 LEU A 70 13.876 8.197 -5.982 1.00 0.00 H new ATOM 0 HB3 LEU A 70 13.896 8.987 -4.418 1.00 0.00 H new ATOM 0 HG LEU A 70 15.430 7.299 -4.115 1.00 0.00 H new ATOM 0 HD11 LEU A 70 14.406 5.564 -2.698 1.00 0.00 H new ATOM 0 HD12 LEU A 70 13.744 7.178 -2.348 1.00 0.00 H new ATOM 0 HD13 LEU A 70 12.798 6.019 -3.311 1.00 0.00 H new ATOM 0 HD21 LEU A 70 15.187 5.000 -4.968 1.00 0.00 H new ATOM 0 HD22 LEU A 70 13.610 5.432 -5.671 1.00 0.00 H new ATOM 0 HD23 LEU A 70 15.096 6.202 -6.276 1.00 0.00 H new ATOM 1096 N MET A 71 11.549 9.821 -3.438 1.00 0.00 N ATOM 1097 CA MET A 71 11.089 10.500 -2.232 1.00 0.00 C ATOM 1098 C MET A 71 9.609 10.224 -1.984 1.00 0.00 C ATOM 1099 O MET A 71 9.232 9.715 -0.928 1.00 0.00 O ATOM 1100 CB MET A 71 11.326 12.007 -2.347 1.00 0.00 C ATOM 1101 CG MET A 71 12.732 12.368 -2.799 1.00 0.00 C ATOM 1102 SD MET A 71 13.221 14.027 -2.289 1.00 0.00 S ATOM 1103 CE MET A 71 12.163 15.028 -3.332 1.00 0.00 C ATOM 0 H MET A 71 11.827 10.446 -4.194 1.00 0.00 H new ATOM 0 HA MET A 71 11.660 10.113 -1.388 1.00 0.00 H new ATOM 0 HB2 MET A 71 10.608 12.427 -3.051 1.00 0.00 H new ATOM 0 HB3 MET A 71 11.133 12.472 -1.380 1.00 0.00 H new ATOM 0 HG2 MET A 71 13.438 11.644 -2.391 1.00 0.00 H new ATOM 0 HG3 MET A 71 12.791 12.294 -3.885 1.00 0.00 H new ATOM 0 HE1 MET A 71 12.349 16.083 -3.133 1.00 0.00 H new ATOM 0 HE2 MET A 71 12.376 14.814 -4.379 1.00 0.00 H new ATOM 0 HE3 MET A 71 11.119 14.797 -3.120 1.00 0.00 H new ATOM 1113 N ILE A 72 8.777 10.563 -2.962 1.00 0.00 N ATOM 1114 CA ILE A 72 7.339 10.350 -2.849 1.00 0.00 C ATOM 1115 C ILE A 72 7.027 8.926 -2.403 1.00 0.00 C ATOM 1116 O ILE A 72 6.072 8.691 -1.664 1.00 0.00 O ATOM 1117 CB ILE A 72 6.623 10.626 -4.184 1.00 0.00 C ATOM 1118 CG1 ILE A 72 6.874 12.066 -4.635 1.00 0.00 C ATOM 1119 CG2 ILE A 72 5.131 10.360 -4.050 1.00 0.00 C ATOM 1120 CD1 ILE A 72 6.418 13.102 -3.631 1.00 0.00 C ATOM 0 H ILE A 72 9.073 10.986 -3.842 1.00 0.00 H new ATOM 0 HA ILE A 72 6.974 11.051 -2.098 1.00 0.00 H new ATOM 0 HB ILE A 72 7.026 9.953 -4.941 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.939 12.199 -4.823 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.359 12.237 -5.581 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.639 10.560 -5.002 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.971 9.319 -3.770 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.713 11.011 -3.282 1.00 0.00 H new ATOM 0 HD11 ILE A 72 6.627 14.100 -4.017 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.347 12.996 -3.460 1.00 0.00 H new ATOM 0 HD13 ILE A 72 6.951 12.957 -2.691 1.00 0.00 H new ATOM 1132 N ALA A 73 7.842 7.978 -2.855 1.00 0.00 N ATOM 1133 CA ALA A 73 7.656 6.577 -2.499 1.00 0.00 C ATOM 1134 C ALA A 73 8.063 6.320 -1.052 1.00 0.00 C ATOM 1135 O ALA A 73 7.420 5.544 -0.345 1.00 0.00 O ATOM 1136 CB ALA A 73 8.451 5.684 -3.439 1.00 0.00 C ATOM 0 H ALA A 73 8.637 8.155 -3.468 1.00 0.00 H new ATOM 0 HA ALA A 73 6.597 6.340 -2.599 1.00 0.00 H new ATOM 0 HB1 ALA A 73 8.303 4.640 -3.162 1.00 0.00 H new ATOM 0 HB2 ALA A 73 8.111 5.839 -4.463 1.00 0.00 H new ATOM 0 HB3 ALA A 73 9.510 5.932 -3.367 1.00 0.00 H new ATOM 1142 N SER A 74 9.136 6.975 -0.618 1.00 0.00 N ATOM 1143 CA SER A 74 9.631 6.813 0.744 1.00 0.00 C ATOM 1144 C SER A 74 8.655 7.410 1.752 1.00 0.00 C ATOM 1145 O SER A 74 8.428 6.846 2.823 1.00 0.00 O ATOM 1146 CB SER A 74 11.003 7.474 0.892 1.00 0.00 C ATOM 1147 OG SER A 74 10.905 8.883 0.771 1.00 0.00 O ATOM 0 H SER A 74 9.679 7.622 -1.190 1.00 0.00 H new ATOM 0 HA SER A 74 9.726 5.746 0.945 1.00 0.00 H new ATOM 0 HB2 SER A 74 11.431 7.218 1.861 1.00 0.00 H new ATOM 0 HB3 SER A 74 11.681 7.087 0.131 1.00 0.00 H new ATOM 0 HG SER A 74 10.283 9.107 0.047 1.00 0.00 H new ATOM 1153 N SER A 75 8.078 8.555 1.401 1.00 0.00 N ATOM 1154 CA SER A 75 7.128 9.232 2.276 1.00 0.00 C ATOM 1155 C SER A 75 5.903 8.359 2.528 1.00 0.00 C ATOM 1156 O SER A 75 5.409 8.271 3.652 1.00 0.00 O ATOM 1157 CB SER A 75 6.700 10.567 1.663 1.00 0.00 C ATOM 1158 OG SER A 75 6.743 10.515 0.247 1.00 0.00 O ATOM 0 H SER A 75 8.252 9.033 0.517 1.00 0.00 H new ATOM 0 HA SER A 75 7.621 9.419 3.230 1.00 0.00 H new ATOM 0 HB2 SER A 75 5.690 10.814 1.991 1.00 0.00 H new ATOM 0 HB3 SER A 75 7.355 11.362 2.021 1.00 0.00 H new ATOM 0 HG SER A 75 6.340 9.677 -0.062 1.00 0.00 H new ATOM 1164 N LEU A 76 5.418 7.713 1.473 1.00 0.00 N ATOM 1165 CA LEU A 76 4.251 6.845 1.577 1.00 0.00 C ATOM 1166 C LEU A 76 4.437 5.812 2.684 1.00 0.00 C ATOM 1167 O LEU A 76 3.481 5.431 3.361 1.00 0.00 O ATOM 1168 CB LEU A 76 3.994 6.140 0.244 1.00 0.00 C ATOM 1169 CG LEU A 76 3.261 6.960 -0.818 1.00 0.00 C ATOM 1170 CD1 LEU A 76 3.491 6.370 -2.201 1.00 0.00 C ATOM 1171 CD2 LEU A 76 1.773 7.029 -0.506 1.00 0.00 C ATOM 0 H LEU A 76 5.815 7.774 0.536 1.00 0.00 H new ATOM 0 HA LEU A 76 3.389 7.465 1.825 1.00 0.00 H new ATOM 0 HB2 LEU A 76 4.952 5.823 -0.167 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.417 5.236 0.439 1.00 0.00 H new ATOM 0 HG LEU A 76 3.661 7.974 -0.807 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.962 6.967 -2.944 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.558 6.374 -2.425 1.00 0.00 H new ATOM 0 HD13 LEU A 76 3.119 5.346 -2.226 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.267 7.617 -1.272 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.358 6.021 -0.488 1.00 0.00 H new ATOM 0 HD23 LEU A 76 1.627 7.499 0.467 1.00 0.00 H new ATOM 1183 N LEU A 77 5.675 5.363 2.864 1.00 0.00 N ATOM 1184 CA LEU A 77 5.988 4.375 3.891 1.00 0.00 C ATOM 1185 C LEU A 77 6.074 5.028 5.267 1.00 0.00 C ATOM 1186 O LEU A 77 5.833 4.384 6.286 1.00 0.00 O ATOM 1187 CB LEU A 77 7.307 3.672 3.564 1.00 0.00 C ATOM 1188 CG LEU A 77 7.199 2.407 2.713 1.00 0.00 C ATOM 1189 CD1 LEU A 77 8.581 1.918 2.307 1.00 0.00 C ATOM 1190 CD2 LEU A 77 6.447 1.319 3.465 1.00 0.00 C ATOM 0 H LEU A 77 6.477 5.667 2.313 1.00 0.00 H new ATOM 0 HA LEU A 77 5.185 3.638 3.909 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.955 4.380 3.047 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.801 3.415 4.501 1.00 0.00 H new ATOM 0 HG LEU A 77 6.640 2.648 1.809 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.485 1.017 1.702 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.085 2.692 1.728 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.165 1.695 3.200 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.380 0.426 2.843 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.978 1.080 4.387 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.443 1.670 3.705 1.00 0.00 H new ATOM 1202 N ASN A 78 6.417 6.312 5.286 1.00 0.00 N ATOM 1203 CA ASN A 78 6.533 7.054 6.537 1.00 0.00 C ATOM 1204 C ASN A 78 5.160 7.292 7.157 1.00 0.00 C ATOM 1205 O ASN A 78 5.036 7.451 8.371 1.00 0.00 O ATOM 1206 CB ASN A 78 7.236 8.391 6.298 1.00 0.00 C ATOM 1207 CG ASN A 78 8.741 8.289 6.452 1.00 0.00 C ATOM 1208 OD1 ASN A 78 9.246 7.965 7.527 1.00 0.00 O ATOM 1209 ND2 ASN A 78 9.467 8.566 5.375 1.00 0.00 N ATOM 0 H ASN A 78 6.619 6.860 4.450 1.00 0.00 H new ATOM 0 HA ASN A 78 7.127 6.458 7.230 1.00 0.00 H new ATOM 0 HB2 ASN A 78 7.000 8.749 5.296 1.00 0.00 H new ATOM 0 HB3 ASN A 78 6.851 9.131 7.000 1.00 0.00 H new ATOM 0 HD21 ASN A 78 10.485 8.514 5.419 1.00 0.00 H new ATOM 0 HD22 ASN A 78 9.007 8.830 4.504 1.00 0.00 H new ATOM 1216 N GLU A 79 4.132 7.315 6.314 1.00 0.00 N ATOM 1217 CA GLU A 79 2.768 7.535 6.781 1.00 0.00 C ATOM 1218 C GLU A 79 2.048 6.207 7.000 1.00 0.00 C ATOM 1219 O GLU A 79 1.150 6.106 7.836 1.00 0.00 O ATOM 1220 CB GLU A 79 1.992 8.388 5.775 1.00 0.00 C ATOM 1221 CG GLU A 79 2.460 9.832 5.713 1.00 0.00 C ATOM 1222 CD GLU A 79 2.395 10.525 7.060 1.00 0.00 C ATOM 1223 OE1 GLU A 79 1.427 10.274 7.809 1.00 0.00 O ATOM 1224 OE2 GLU A 79 3.310 11.318 7.365 1.00 0.00 O ATOM 0 H GLU A 79 4.218 7.184 5.306 1.00 0.00 H new ATOM 0 HA GLU A 79 2.818 8.064 7.733 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.085 7.942 4.785 1.00 0.00 H new ATOM 0 HB3 GLU A 79 0.934 8.369 6.035 1.00 0.00 H new ATOM 0 HG2 GLU A 79 3.485 9.862 5.342 1.00 0.00 H new ATOM 0 HG3 GLU A 79 1.846 10.379 4.997 1.00 0.00 H new ATOM 1231 N GLY A 80 2.448 5.191 6.242 1.00 0.00 N ATOM 1232 CA GLY A 80 1.831 3.883 6.368 1.00 0.00 C ATOM 1233 C GLY A 80 1.114 3.457 5.103 1.00 0.00 C ATOM 1234 O GLY A 80 0.751 2.290 4.950 1.00 0.00 O ATOM 0 H GLY A 80 3.188 5.250 5.543 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.595 3.146 6.614 1.00 0.00 H new ATOM 0 HA3 GLY A 80 1.123 3.897 7.196 1.00 0.00 H new ATOM 1238 N TYR A 81 0.907 4.404 4.194 1.00 0.00 N ATOM 1239 CA TYR A 81 0.224 4.121 2.937 1.00 0.00 C ATOM 1240 C TYR A 81 0.739 2.825 2.318 1.00 0.00 C ATOM 1241 O TYR A 81 -0.025 2.057 1.730 1.00 0.00 O ATOM 1242 CB TYR A 81 0.416 5.279 1.957 1.00 0.00 C ATOM 1243 CG TYR A 81 -0.246 6.564 2.401 1.00 0.00 C ATOM 1244 CD1 TYR A 81 -1.630 6.663 2.483 1.00 0.00 C ATOM 1245 CD2 TYR A 81 0.511 7.679 2.737 1.00 0.00 C ATOM 1246 CE1 TYR A 81 -2.239 7.835 2.888 1.00 0.00 C ATOM 1247 CE2 TYR A 81 -0.090 8.854 3.144 1.00 0.00 C ATOM 1248 CZ TYR A 81 -1.465 8.927 3.218 1.00 0.00 C ATOM 1249 OH TYR A 81 -2.067 10.097 3.622 1.00 0.00 O ATOM 0 H TYR A 81 1.202 5.374 4.304 1.00 0.00 H new ATOM 0 HA TYR A 81 -0.839 4.005 3.148 1.00 0.00 H new ATOM 0 HB2 TYR A 81 1.483 5.457 1.823 1.00 0.00 H new ATOM 0 HB3 TYR A 81 0.016 4.991 0.985 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.240 5.809 2.226 1.00 0.00 H new ATOM 0 HD2 TYR A 81 1.588 7.626 2.679 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -3.316 7.895 2.946 1.00 0.00 H new ATOM 0 HE2 TYR A 81 0.514 9.711 3.403 1.00 0.00 H new ATOM 0 HH TYR A 81 -1.380 10.768 3.818 1.00 0.00 H new ATOM 1259 N LEU A 82 2.039 2.588 2.453 1.00 0.00 N ATOM 1260 CA LEU A 82 2.658 1.384 1.908 1.00 0.00 C ATOM 1261 C LEU A 82 3.299 0.553 3.014 1.00 0.00 C ATOM 1262 O LEU A 82 3.688 1.082 4.055 1.00 0.00 O ATOM 1263 CB LEU A 82 3.708 1.758 0.860 1.00 0.00 C ATOM 1264 CG LEU A 82 3.176 2.366 -0.437 1.00 0.00 C ATOM 1265 CD1 LEU A 82 4.317 2.918 -1.276 1.00 0.00 C ATOM 1266 CD2 LEU A 82 2.384 1.332 -1.225 1.00 0.00 C ATOM 0 H LEU A 82 2.685 3.213 2.935 1.00 0.00 H new ATOM 0 HA LEU A 82 1.879 0.785 1.436 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.405 2.465 1.310 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.278 0.863 0.611 1.00 0.00 H new ATOM 0 HG LEU A 82 2.509 3.189 -0.182 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.918 3.347 -2.195 1.00 0.00 H new ATOM 0 HD12 LEU A 82 4.842 3.690 -0.713 1.00 0.00 H new ATOM 0 HD13 LEU A 82 5.010 2.114 -1.522 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.013 1.782 -2.146 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.029 0.488 -1.469 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.542 0.984 -0.626 1.00 0.00 H new ATOM 1278 N GLN A 83 3.408 -0.751 2.780 1.00 0.00 N ATOM 1279 CA GLN A 83 4.004 -1.655 3.757 1.00 0.00 C ATOM 1280 C GLN A 83 5.124 -2.476 3.126 1.00 0.00 C ATOM 1281 O GLN A 83 5.002 -2.983 2.010 1.00 0.00 O ATOM 1282 CB GLN A 83 2.938 -2.586 4.338 1.00 0.00 C ATOM 1283 CG GLN A 83 1.785 -1.851 5.003 1.00 0.00 C ATOM 1284 CD GLN A 83 2.050 -1.551 6.465 1.00 0.00 C ATOM 1285 OE1 GLN A 83 2.708 -2.326 7.161 1.00 0.00 O ATOM 1286 NE2 GLN A 83 1.539 -0.421 6.940 1.00 0.00 N ATOM 0 H GLN A 83 3.092 -1.205 1.923 1.00 0.00 H new ATOM 0 HA GLN A 83 4.428 -1.053 4.561 1.00 0.00 H new ATOM 0 HB2 GLN A 83 2.544 -3.216 3.541 1.00 0.00 H new ATOM 0 HB3 GLN A 83 3.404 -3.248 5.067 1.00 0.00 H new ATOM 0 HG2 GLN A 83 1.600 -0.917 4.472 1.00 0.00 H new ATOM 0 HG3 GLN A 83 0.879 -2.451 4.918 1.00 0.00 H new ATOM 0 HE21 GLN A 83 1.000 0.192 6.328 1.00 0.00 H new ATOM 0 HE22 GLN A 83 1.685 -0.166 7.917 1.00 0.00 H new ATOM 1295 N PRO A 84 6.241 -2.611 3.855 1.00 0.00 N ATOM 1296 CA PRO A 84 7.405 -3.370 3.387 1.00 0.00 C ATOM 1297 C PRO A 84 7.137 -4.871 3.339 1.00 0.00 C ATOM 1298 O PRO A 84 6.378 -5.401 4.149 1.00 0.00 O ATOM 1299 CB PRO A 84 8.479 -3.052 4.429 1.00 0.00 C ATOM 1300 CG PRO A 84 7.719 -2.701 5.662 1.00 0.00 C ATOM 1301 CD PRO A 84 6.455 -2.034 5.193 1.00 0.00 C ATOM 0 HA PRO A 84 7.686 -3.099 2.369 1.00 0.00 H new ATOM 0 HB2 PRO A 84 9.133 -3.908 4.597 1.00 0.00 H new ATOM 0 HB3 PRO A 84 9.112 -2.226 4.106 1.00 0.00 H new ATOM 0 HG2 PRO A 84 7.496 -3.591 6.250 1.00 0.00 H new ATOM 0 HG3 PRO A 84 8.298 -2.034 6.301 1.00 0.00 H new ATOM 0 HD2 PRO A 84 5.619 -2.244 5.860 1.00 0.00 H new ATOM 0 HD3 PRO A 84 6.564 -0.950 5.151 1.00 0.00 H new ATOM 1309 N ALA A 85 7.766 -5.549 2.385 1.00 0.00 N ATOM 1310 CA ALA A 85 7.597 -6.989 2.233 1.00 0.00 C ATOM 1311 C ALA A 85 8.916 -7.661 1.868 1.00 0.00 C ATOM 1312 O ALA A 85 9.402 -7.528 0.745 1.00 0.00 O ATOM 1313 CB ALA A 85 6.540 -7.289 1.180 1.00 0.00 C ATOM 0 H ALA A 85 8.397 -5.124 1.706 1.00 0.00 H new ATOM 0 HA ALA A 85 7.266 -7.394 3.189 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.425 -8.368 1.077 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.590 -6.850 1.483 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.848 -6.864 0.224 1.00 0.00 H new ATOM 1319 N GLY A 86 9.492 -8.383 2.824 1.00 0.00 N ATOM 1320 CA GLY A 86 10.751 -9.064 2.583 1.00 0.00 C ATOM 1321 C GLY A 86 11.899 -8.455 3.364 1.00 0.00 C ATOM 1322 O GLY A 86 12.036 -7.233 3.428 1.00 0.00 O ATOM 0 H GLY A 86 9.109 -8.509 3.761 1.00 0.00 H new ATOM 0 HA2 GLY A 86 10.649 -10.115 2.853 1.00 0.00 H new ATOM 0 HA3 GLY A 86 10.981 -9.029 1.518 1.00 0.00 H new ATOM 1326 N ASP A 87 12.724 -9.308 3.961 1.00 0.00 N ATOM 1327 CA ASP A 87 13.866 -8.847 4.742 1.00 0.00 C ATOM 1328 C ASP A 87 14.573 -7.691 4.041 1.00 0.00 C ATOM 1329 O ASP A 87 15.216 -6.862 4.684 1.00 0.00 O ATOM 1330 CB ASP A 87 14.848 -9.995 4.976 1.00 0.00 C ATOM 1331 CG ASP A 87 14.209 -11.166 5.697 1.00 0.00 C ATOM 1332 OD1 ASP A 87 13.307 -11.802 5.112 1.00 0.00 O ATOM 1333 OD2 ASP A 87 14.612 -11.447 6.845 1.00 0.00 O ATOM 0 H ASP A 87 12.623 -10.322 3.919 1.00 0.00 H new ATOM 0 HA ASP A 87 13.497 -8.493 5.705 1.00 0.00 H new ATOM 0 HB2 ASP A 87 15.242 -10.333 4.018 1.00 0.00 H new ATOM 0 HB3 ASP A 87 15.695 -9.632 5.558 1.00 0.00 H new ATOM 1338 N MET A 88 14.451 -7.644 2.719 1.00 0.00 N ATOM 1339 CA MET A 88 15.078 -6.590 1.930 1.00 0.00 C ATOM 1340 C MET A 88 14.607 -5.214 2.390 1.00 0.00 C ATOM 1341 O MET A 88 15.362 -4.463 3.007 1.00 0.00 O ATOM 1342 CB MET A 88 14.765 -6.779 0.445 1.00 0.00 C ATOM 1343 CG MET A 88 15.510 -5.812 -0.461 1.00 0.00 C ATOM 1344 SD MET A 88 15.519 -6.342 -2.185 1.00 0.00 S ATOM 1345 CE MET A 88 15.991 -4.821 -3.004 1.00 0.00 C ATOM 0 H MET A 88 13.924 -8.324 2.171 1.00 0.00 H new ATOM 0 HA MET A 88 16.156 -6.654 2.077 1.00 0.00 H new ATOM 0 HB2 MET A 88 15.015 -7.800 0.157 1.00 0.00 H new ATOM 0 HB3 MET A 88 13.693 -6.657 0.290 1.00 0.00 H new ATOM 0 HG2 MET A 88 15.050 -4.826 -0.390 1.00 0.00 H new ATOM 0 HG3 MET A 88 16.537 -5.710 -0.111 1.00 0.00 H new ATOM 0 HE1 MET A 88 16.754 -5.033 -3.753 1.00 0.00 H new ATOM 0 HE2 MET A 88 15.118 -4.383 -3.488 1.00 0.00 H new ATOM 0 HE3 MET A 88 16.388 -4.120 -2.270 1.00 0.00 H new ATOM 1355 N SER A 89 13.355 -4.889 2.085 1.00 0.00 N ATOM 1356 CA SER A 89 12.785 -3.602 2.463 1.00 0.00 C ATOM 1357 C SER A 89 12.685 -3.476 3.980 1.00 0.00 C ATOM 1358 O SER A 89 12.918 -2.407 4.544 1.00 0.00 O ATOM 1359 CB SER A 89 11.401 -3.428 1.834 1.00 0.00 C ATOM 1360 OG SER A 89 10.486 -4.384 2.341 1.00 0.00 O ATOM 0 H SER A 89 12.716 -5.500 1.577 1.00 0.00 H new ATOM 0 HA SER A 89 13.446 -2.818 2.093 1.00 0.00 H new ATOM 0 HB2 SER A 89 11.030 -2.423 2.035 1.00 0.00 H new ATOM 0 HB3 SER A 89 11.475 -3.529 0.751 1.00 0.00 H new ATOM 0 HG SER A 89 10.389 -5.117 1.698 1.00 0.00 H new ATOM 1366 N LYS A 90 12.337 -4.578 4.637 1.00 0.00 N ATOM 1367 CA LYS A 90 12.207 -4.594 6.089 1.00 0.00 C ATOM 1368 C LYS A 90 13.429 -3.966 6.752 1.00 0.00 C ATOM 1369 O LYS A 90 13.309 -3.258 7.751 1.00 0.00 O ATOM 1370 CB LYS A 90 12.024 -6.029 6.589 1.00 0.00 C ATOM 1371 CG LYS A 90 10.619 -6.570 6.385 1.00 0.00 C ATOM 1372 CD LYS A 90 10.408 -7.873 7.137 1.00 0.00 C ATOM 1373 CE LYS A 90 9.029 -8.455 6.868 1.00 0.00 C ATOM 1374 NZ LYS A 90 8.947 -9.889 7.261 1.00 0.00 N ATOM 0 H LYS A 90 12.140 -5.472 4.186 1.00 0.00 H new ATOM 0 HA LYS A 90 11.328 -4.007 6.357 1.00 0.00 H new ATOM 0 HB2 LYS A 90 12.732 -6.678 6.074 1.00 0.00 H new ATOM 0 HB3 LYS A 90 12.269 -6.069 7.650 1.00 0.00 H new ATOM 0 HG2 LYS A 90 9.891 -5.832 6.723 1.00 0.00 H new ATOM 0 HG3 LYS A 90 10.441 -6.730 5.322 1.00 0.00 H new ATOM 0 HD2 LYS A 90 11.172 -8.593 6.842 1.00 0.00 H new ATOM 0 HD3 LYS A 90 10.529 -7.701 8.206 1.00 0.00 H new ATOM 0 HE2 LYS A 90 8.280 -7.884 7.417 1.00 0.00 H new ATOM 0 HE3 LYS A 90 8.792 -8.354 5.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 7.992 -10.249 7.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 9.644 -10.438 6.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 9.148 -9.982 8.277 1.00 0.00 H new ATOM 1388 N SER A 91 14.603 -4.229 6.188 1.00 0.00 N ATOM 1389 CA SER A 91 15.847 -3.691 6.726 1.00 0.00 C ATOM 1390 C SER A 91 15.939 -2.188 6.483 1.00 0.00 C ATOM 1391 O SER A 91 16.408 -1.437 7.337 1.00 0.00 O ATOM 1392 CB SER A 91 17.049 -4.396 6.093 1.00 0.00 C ATOM 1393 OG SER A 91 17.410 -5.550 6.833 1.00 0.00 O ATOM 0 H SER A 91 14.719 -4.811 5.359 1.00 0.00 H new ATOM 0 HA SER A 91 15.855 -3.869 7.801 1.00 0.00 H new ATOM 0 HB2 SER A 91 16.811 -4.677 5.067 1.00 0.00 H new ATOM 0 HB3 SER A 91 17.895 -3.710 6.047 1.00 0.00 H new ATOM 0 HG SER A 91 18.179 -5.984 6.408 1.00 0.00 H new ATOM 1399 N ALA A 92 15.488 -1.756 5.309 1.00 0.00 N ATOM 1400 CA ALA A 92 15.517 -0.343 4.953 1.00 0.00 C ATOM 1401 C ALA A 92 14.622 0.475 5.877 1.00 0.00 C ATOM 1402 O ALA A 92 15.008 1.546 6.344 1.00 0.00 O ATOM 1403 CB ALA A 92 15.094 -0.156 3.503 1.00 0.00 C ATOM 0 H ALA A 92 15.098 -2.365 4.589 1.00 0.00 H new ATOM 0 HA ALA A 92 16.540 0.015 5.071 1.00 0.00 H new ATOM 0 HB1 ALA A 92 15.120 0.904 3.250 1.00 0.00 H new ATOM 0 HB2 ALA A 92 15.777 -0.701 2.852 1.00 0.00 H new ATOM 0 HB3 ALA A 92 14.082 -0.537 3.367 1.00 0.00 H new ATOM 1409 N VAL A 93 13.423 -0.037 6.138 1.00 0.00 N ATOM 1410 CA VAL A 93 12.473 0.646 7.007 1.00 0.00 C ATOM 1411 C VAL A 93 12.997 0.729 8.436 1.00 0.00 C ATOM 1412 O VAL A 93 12.603 1.609 9.202 1.00 0.00 O ATOM 1413 CB VAL A 93 11.106 -0.065 7.013 1.00 0.00 C ATOM 1414 CG1 VAL A 93 10.425 0.076 5.661 1.00 0.00 C ATOM 1415 CG2 VAL A 93 11.270 -1.530 7.387 1.00 0.00 C ATOM 0 H VAL A 93 13.087 -0.923 5.760 1.00 0.00 H new ATOM 0 HA VAL A 93 12.348 1.653 6.610 1.00 0.00 H new ATOM 0 HB VAL A 93 10.472 0.409 7.763 1.00 0.00 H new ATOM 0 HG11 VAL A 93 9.461 -0.432 5.684 1.00 0.00 H new ATOM 0 HG12 VAL A 93 10.273 1.132 5.439 1.00 0.00 H new ATOM 0 HG13 VAL A 93 11.052 -0.371 4.889 1.00 0.00 H new ATOM 0 HG21 VAL A 93 10.295 -2.017 7.386 1.00 0.00 H new ATOM 0 HG22 VAL A 93 11.921 -2.020 6.663 1.00 0.00 H new ATOM 0 HG23 VAL A 93 11.712 -1.605 8.380 1.00 0.00 H new ATOM 1425 N ASP A 94 13.886 -0.192 8.789 1.00 0.00 N ATOM 1426 CA ASP A 94 14.466 -0.223 10.126 1.00 0.00 C ATOM 1427 C ASP A 94 14.931 1.168 10.549 1.00 0.00 C ATOM 1428 O ASP A 94 15.060 1.455 11.738 1.00 0.00 O ATOM 1429 CB ASP A 94 15.639 -1.203 10.174 1.00 0.00 C ATOM 1430 CG ASP A 94 15.978 -1.632 11.588 1.00 0.00 C ATOM 1431 OD1 ASP A 94 16.364 -0.761 12.396 1.00 0.00 O ATOM 1432 OD2 ASP A 94 15.857 -2.839 11.888 1.00 0.00 O ATOM 0 H ASP A 94 14.221 -0.928 8.167 1.00 0.00 H new ATOM 0 HA ASP A 94 13.696 -0.556 10.822 1.00 0.00 H new ATOM 0 HB2 ASP A 94 15.398 -2.083 9.578 1.00 0.00 H new ATOM 0 HB3 ASP A 94 16.514 -0.740 9.718 1.00 0.00 H new ATOM 1437 N GLY A 95 15.183 2.026 9.565 1.00 0.00 N ATOM 1438 CA GLY A 95 15.632 3.375 9.855 1.00 0.00 C ATOM 1439 C GLY A 95 17.084 3.597 9.479 1.00 0.00 C ATOM 1440 O GLY A 95 17.547 3.110 8.446 1.00 0.00 O ATOM 0 H GLY A 95 15.084 1.811 8.573 1.00 0.00 H new ATOM 0 HA2 GLY A 95 15.007 4.086 9.315 1.00 0.00 H new ATOM 0 HA3 GLY A 95 15.500 3.578 10.918 1.00 0.00 H new ATOM 1444 N THR A 96 17.805 4.335 10.317 1.00 0.00 N ATOM 1445 CA THR A 96 19.212 4.622 10.065 1.00 0.00 C ATOM 1446 C THR A 96 19.471 4.842 8.579 1.00 0.00 C ATOM 1447 O THR A 96 20.413 4.286 8.015 1.00 0.00 O ATOM 1448 CB THR A 96 20.117 3.483 10.569 1.00 0.00 C ATOM 1449 OG1 THR A 96 21.487 3.780 10.279 1.00 0.00 O ATOM 1450 CG2 THR A 96 19.732 2.160 9.924 1.00 0.00 C ATOM 0 H THR A 96 17.438 4.745 11.176 1.00 0.00 H new ATOM 0 HA THR A 96 19.451 5.534 10.612 1.00 0.00 H new ATOM 0 HB THR A 96 19.986 3.395 11.647 1.00 0.00 H new ATOM 0 HG1 THR A 96 21.596 3.913 9.314 1.00 0.00 H new ATOM 0 HG21 THR A 96 20.385 1.370 10.295 1.00 0.00 H new ATOM 0 HG22 THR A 96 18.698 1.922 10.172 1.00 0.00 H new ATOM 0 HG23 THR A 96 19.837 2.239 8.842 1.00 0.00 H new ATOM 1458 N ALA A 97 18.629 5.656 7.951 1.00 0.00 N ATOM 1459 CA ALA A 97 18.770 5.952 6.530 1.00 0.00 C ATOM 1460 C ALA A 97 17.947 7.175 6.140 1.00 0.00 C ATOM 1461 O ALA A 97 17.167 7.690 6.940 1.00 0.00 O ATOM 1462 CB ALA A 97 18.356 4.747 5.698 1.00 0.00 C ATOM 0 H ALA A 97 17.842 6.122 8.403 1.00 0.00 H new ATOM 0 HA ALA A 97 19.818 6.174 6.332 1.00 0.00 H new ATOM 0 HB1 ALA A 97 18.466 4.981 4.639 1.00 0.00 H new ATOM 0 HB2 ALA A 97 18.989 3.896 5.949 1.00 0.00 H new ATOM 0 HB3 ALA A 97 17.316 4.499 5.909 1.00 0.00 H new ATOM 1468 N GLU A 98 18.126 7.634 4.905 1.00 0.00 N ATOM 1469 CA GLU A 98 17.400 8.798 4.411 1.00 0.00 C ATOM 1470 C GLU A 98 16.067 8.385 3.793 1.00 0.00 C ATOM 1471 O GLU A 98 15.073 9.101 3.902 1.00 0.00 O ATOM 1472 CB GLU A 98 18.242 9.551 3.379 1.00 0.00 C ATOM 1473 CG GLU A 98 19.677 9.787 3.819 1.00 0.00 C ATOM 1474 CD GLU A 98 19.801 10.923 4.817 1.00 0.00 C ATOM 1475 OE1 GLU A 98 19.809 12.094 4.385 1.00 0.00 O ATOM 1476 OE2 GLU A 98 19.891 10.639 6.030 1.00 0.00 O ATOM 0 H GLU A 98 18.767 7.218 4.229 1.00 0.00 H new ATOM 0 HA GLU A 98 17.200 9.456 5.256 1.00 0.00 H new ATOM 0 HB2 GLU A 98 18.245 8.989 2.445 1.00 0.00 H new ATOM 0 HB3 GLU A 98 17.772 10.512 3.171 1.00 0.00 H new ATOM 0 HG2 GLU A 98 20.072 8.873 4.263 1.00 0.00 H new ATOM 0 HG3 GLU A 98 20.290 10.007 2.945 1.00 0.00 H new ATOM 1483 N ASN A 99 16.056 7.226 3.143 1.00 0.00 N ATOM 1484 CA ASN A 99 14.847 6.718 2.506 1.00 0.00 C ATOM 1485 C ASN A 99 14.708 5.214 2.723 1.00 0.00 C ATOM 1486 O ASN A 99 15.486 4.413 2.203 1.00 0.00 O ATOM 1487 CB ASN A 99 14.865 7.030 1.008 1.00 0.00 C ATOM 1488 CG ASN A 99 15.313 8.449 0.718 1.00 0.00 C ATOM 1489 OD1 ASN A 99 14.765 9.408 1.261 1.00 0.00 O ATOM 1490 ND2 ASN A 99 16.315 8.589 -0.142 1.00 0.00 N ATOM 0 H ASN A 99 16.871 6.621 3.044 1.00 0.00 H new ATOM 0 HA ASN A 99 13.990 7.213 2.963 1.00 0.00 H new ATOM 0 HB2 ASN A 99 15.531 6.331 0.502 1.00 0.00 H new ATOM 0 HB3 ASN A 99 13.868 6.875 0.596 1.00 0.00 H new ATOM 0 HD21 ASN A 99 16.660 9.520 -0.376 1.00 0.00 H new ATOM 0 HD22 ASN A 99 16.740 7.766 -0.569 1.00 0.00 H new ATOM 1497 N PRO A 100 13.695 4.820 3.508 1.00 0.00 N ATOM 1498 CA PRO A 100 13.429 3.411 3.810 1.00 0.00 C ATOM 1499 C PRO A 100 12.916 2.644 2.596 1.00 0.00 C ATOM 1500 O PRO A 100 12.650 1.444 2.674 1.00 0.00 O ATOM 1501 CB PRO A 100 12.352 3.477 4.895 1.00 0.00 C ATOM 1502 CG PRO A 100 11.671 4.784 4.672 1.00 0.00 C ATOM 1503 CD PRO A 100 12.729 5.721 4.160 1.00 0.00 C ATOM 0 HA PRO A 100 14.332 2.884 4.118 1.00 0.00 H new ATOM 0 HB2 PRO A 100 11.652 2.646 4.809 1.00 0.00 H new ATOM 0 HB3 PRO A 100 12.790 3.423 5.892 1.00 0.00 H new ATOM 0 HG2 PRO A 100 10.858 4.683 3.953 1.00 0.00 H new ATOM 0 HG3 PRO A 100 11.233 5.158 5.597 1.00 0.00 H new ATOM 0 HD2 PRO A 100 12.318 6.446 3.457 1.00 0.00 H new ATOM 0 HD3 PRO A 100 13.190 6.287 4.969 1.00 0.00 H new ATOM 1511 N PHE A 101 12.780 3.343 1.474 1.00 0.00 N ATOM 1512 CA PHE A 101 12.298 2.728 0.243 1.00 0.00 C ATOM 1513 C PHE A 101 13.464 2.255 -0.621 1.00 0.00 C ATOM 1514 O PHE A 101 14.603 2.684 -0.435 1.00 0.00 O ATOM 1515 CB PHE A 101 11.435 3.717 -0.542 1.00 0.00 C ATOM 1516 CG PHE A 101 10.495 3.056 -1.509 1.00 0.00 C ATOM 1517 CD1 PHE A 101 9.227 2.667 -1.107 1.00 0.00 C ATOM 1518 CD2 PHE A 101 10.879 2.822 -2.820 1.00 0.00 C ATOM 1519 CE1 PHE A 101 8.359 2.058 -1.995 1.00 0.00 C ATOM 1520 CE2 PHE A 101 10.015 2.215 -3.712 1.00 0.00 C ATOM 1521 CZ PHE A 101 8.755 1.831 -3.298 1.00 0.00 C ATOM 0 H PHE A 101 12.997 4.336 1.392 1.00 0.00 H new ATOM 0 HA PHE A 101 11.693 1.862 0.511 1.00 0.00 H new ATOM 0 HB2 PHE A 101 10.858 4.319 0.159 1.00 0.00 H new ATOM 0 HB3 PHE A 101 12.085 4.400 -1.089 1.00 0.00 H new ATOM 0 HD1 PHE A 101 8.913 2.841 -0.088 1.00 0.00 H new ATOM 0 HD2 PHE A 101 11.865 3.117 -3.148 1.00 0.00 H new ATOM 0 HE1 PHE A 101 7.373 1.761 -1.670 1.00 0.00 H new ATOM 0 HE2 PHE A 101 10.325 2.041 -4.732 1.00 0.00 H new ATOM 0 HZ PHE A 101 8.080 1.354 -3.993 1.00 0.00 H new ATOM 1531 N LEU A 102 13.170 1.368 -1.565 1.00 0.00 N ATOM 1532 CA LEU A 102 14.193 0.836 -2.459 1.00 0.00 C ATOM 1533 C LEU A 102 13.665 0.724 -3.886 1.00 0.00 C ATOM 1534 O LEU A 102 12.738 -0.038 -4.157 1.00 0.00 O ATOM 1535 CB LEU A 102 14.663 -0.535 -1.968 1.00 0.00 C ATOM 1536 CG LEU A 102 14.956 -0.648 -0.472 1.00 0.00 C ATOM 1537 CD1 LEU A 102 14.839 -2.093 -0.013 1.00 0.00 C ATOM 1538 CD2 LEU A 102 16.338 -0.097 -0.155 1.00 0.00 C ATOM 0 H LEU A 102 12.233 1.002 -1.731 1.00 0.00 H new ATOM 0 HA LEU A 102 15.037 1.526 -2.457 1.00 0.00 H new ATOM 0 HB2 LEU A 102 13.902 -1.271 -2.225 1.00 0.00 H new ATOM 0 HB3 LEU A 102 15.566 -0.805 -2.516 1.00 0.00 H new ATOM 0 HG LEU A 102 14.218 -0.055 0.068 1.00 0.00 H new ATOM 0 HD11 LEU A 102 15.051 -2.154 1.054 1.00 0.00 H new ATOM 0 HD12 LEU A 102 13.829 -2.455 -0.204 1.00 0.00 H new ATOM 0 HD13 LEU A 102 15.554 -2.708 -0.560 1.00 0.00 H new ATOM 0 HD21 LEU A 102 16.529 -0.186 0.915 1.00 0.00 H new ATOM 0 HD22 LEU A 102 17.090 -0.662 -0.706 1.00 0.00 H new ATOM 0 HD23 LEU A 102 16.387 0.952 -0.446 1.00 0.00 H new ATOM 1550 N ASP A 103 14.264 1.488 -4.793 1.00 0.00 N ATOM 1551 CA ASP A 103 13.856 1.473 -6.194 1.00 0.00 C ATOM 1552 C ASP A 103 14.360 0.214 -6.892 1.00 0.00 C ATOM 1553 O ASP A 103 14.876 0.275 -8.008 1.00 0.00 O ATOM 1554 CB ASP A 103 14.382 2.716 -6.913 1.00 0.00 C ATOM 1555 CG ASP A 103 14.140 2.664 -8.409 1.00 0.00 C ATOM 1556 OD1 ASP A 103 13.046 2.223 -8.818 1.00 0.00 O ATOM 1557 OD2 ASP A 103 15.044 3.066 -9.170 1.00 0.00 O ATOM 0 H ASP A 103 15.033 2.125 -4.584 1.00 0.00 H new ATOM 0 HA ASP A 103 12.767 1.476 -6.231 1.00 0.00 H new ATOM 0 HB2 ASP A 103 13.900 3.602 -6.500 1.00 0.00 H new ATOM 0 HB3 ASP A 103 15.451 2.817 -6.724 1.00 0.00 H new ATOM 1562 N ASN A 104 14.207 -0.927 -6.228 1.00 0.00 N ATOM 1563 CA ASN A 104 14.648 -2.201 -6.785 1.00 0.00 C ATOM 1564 C ASN A 104 13.455 -3.098 -7.102 1.00 0.00 C ATOM 1565 O ASN A 104 12.442 -3.095 -6.403 1.00 0.00 O ATOM 1566 CB ASN A 104 15.588 -2.910 -5.808 1.00 0.00 C ATOM 1567 CG ASN A 104 17.049 -2.655 -6.123 1.00 0.00 C ATOM 1568 OD1 ASN A 104 17.419 -2.447 -7.279 1.00 0.00 O ATOM 1569 ND2 ASN A 104 17.888 -2.670 -5.094 1.00 0.00 N ATOM 0 H ASN A 104 13.781 -0.996 -5.304 1.00 0.00 H new ATOM 0 HA ASN A 104 15.184 -1.998 -7.712 1.00 0.00 H new ATOM 0 HB2 ASN A 104 15.374 -2.574 -4.793 1.00 0.00 H new ATOM 0 HB3 ASN A 104 15.395 -3.982 -5.836 1.00 0.00 H new ATOM 0 HD21 ASN A 104 18.883 -2.505 -5.245 1.00 0.00 H new ATOM 0 HD22 ASN A 104 17.537 -2.847 -4.153 1.00 0.00 H new ATOM 1576 N PRO A 105 13.577 -3.884 -8.182 1.00 0.00 N ATOM 1577 CA PRO A 105 12.520 -4.802 -8.616 1.00 0.00 C ATOM 1578 C PRO A 105 12.342 -5.976 -7.660 1.00 0.00 C ATOM 1579 O PRO A 105 11.440 -6.797 -7.830 1.00 0.00 O ATOM 1580 CB PRO A 105 13.014 -5.293 -9.979 1.00 0.00 C ATOM 1581 CG PRO A 105 14.495 -5.144 -9.921 1.00 0.00 C ATOM 1582 CD PRO A 105 14.757 -3.939 -9.061 1.00 0.00 C ATOM 0 HA PRO A 105 11.546 -4.314 -8.650 1.00 0.00 H new ATOM 0 HB2 PRO A 105 12.727 -6.330 -10.154 1.00 0.00 H new ATOM 0 HB3 PRO A 105 12.588 -4.703 -10.791 1.00 0.00 H new ATOM 0 HG2 PRO A 105 14.960 -6.034 -9.498 1.00 0.00 H new ATOM 0 HG3 PRO A 105 14.913 -5.010 -10.919 1.00 0.00 H new ATOM 0 HD2 PRO A 105 15.679 -4.046 -8.490 1.00 0.00 H new ATOM 0 HD3 PRO A 105 14.856 -3.033 -9.658 1.00 0.00 H new ATOM 1590 N ASP A 106 13.206 -6.049 -6.654 1.00 0.00 N ATOM 1591 CA ASP A 106 13.143 -7.123 -5.668 1.00 0.00 C ATOM 1592 C ASP A 106 12.358 -6.684 -4.436 1.00 0.00 C ATOM 1593 O ASP A 106 11.620 -7.472 -3.846 1.00 0.00 O ATOM 1594 CB ASP A 106 14.553 -7.555 -5.263 1.00 0.00 C ATOM 1595 CG ASP A 106 15.206 -8.447 -6.300 1.00 0.00 C ATOM 1596 OD1 ASP A 106 14.700 -9.567 -6.523 1.00 0.00 O ATOM 1597 OD2 ASP A 106 16.223 -8.026 -6.889 1.00 0.00 O ATOM 0 H ASP A 106 13.958 -5.378 -6.499 1.00 0.00 H new ATOM 0 HA ASP A 106 12.628 -7.970 -6.121 1.00 0.00 H new ATOM 0 HB2 ASP A 106 15.171 -6.670 -5.109 1.00 0.00 H new ATOM 0 HB3 ASP A 106 14.508 -8.083 -4.310 1.00 0.00 H new ATOM 1602 N ALA A 107 12.524 -5.422 -4.054 1.00 0.00 N ATOM 1603 CA ALA A 107 11.830 -4.879 -2.893 1.00 0.00 C ATOM 1604 C ALA A 107 10.317 -4.960 -3.069 1.00 0.00 C ATOM 1605 O ALA A 107 9.729 -4.192 -3.829 1.00 0.00 O ATOM 1606 CB ALA A 107 12.258 -3.439 -2.648 1.00 0.00 C ATOM 0 H ALA A 107 13.133 -4.757 -4.531 1.00 0.00 H new ATOM 0 HA ALA A 107 12.101 -5.480 -2.025 1.00 0.00 H new ATOM 0 HB1 ALA A 107 11.732 -3.046 -1.778 1.00 0.00 H new ATOM 0 HB2 ALA A 107 13.333 -3.404 -2.468 1.00 0.00 H new ATOM 0 HB3 ALA A 107 12.016 -2.834 -3.522 1.00 0.00 H new ATOM 1612 N PHE A 108 9.694 -5.897 -2.362 1.00 0.00 N ATOM 1613 CA PHE A 108 8.249 -6.080 -2.442 1.00 0.00 C ATOM 1614 C PHE A 108 7.526 -5.114 -1.508 1.00 0.00 C ATOM 1615 O PHE A 108 8.046 -4.747 -0.454 1.00 0.00 O ATOM 1616 CB PHE A 108 7.876 -7.522 -2.092 1.00 0.00 C ATOM 1617 CG PHE A 108 8.521 -8.542 -2.986 1.00 0.00 C ATOM 1618 CD1 PHE A 108 8.633 -8.316 -4.348 1.00 0.00 C ATOM 1619 CD2 PHE A 108 9.014 -9.727 -2.464 1.00 0.00 C ATOM 1620 CE1 PHE A 108 9.226 -9.253 -5.174 1.00 0.00 C ATOM 1621 CE2 PHE A 108 9.608 -10.667 -3.285 1.00 0.00 C ATOM 1622 CZ PHE A 108 9.713 -10.430 -4.642 1.00 0.00 C ATOM 0 H PHE A 108 10.166 -6.541 -1.728 1.00 0.00 H new ATOM 0 HA PHE A 108 7.937 -5.870 -3.465 1.00 0.00 H new ATOM 0 HB2 PHE A 108 8.162 -7.723 -1.060 1.00 0.00 H new ATOM 0 HB3 PHE A 108 6.793 -7.633 -2.150 1.00 0.00 H new ATOM 0 HD1 PHE A 108 8.253 -7.397 -4.770 1.00 0.00 H new ATOM 0 HD2 PHE A 108 8.933 -9.918 -1.404 1.00 0.00 H new ATOM 0 HE1 PHE A 108 9.308 -9.064 -6.234 1.00 0.00 H new ATOM 0 HE2 PHE A 108 9.990 -11.586 -2.866 1.00 0.00 H new ATOM 0 HZ PHE A 108 10.175 -11.164 -5.285 1.00 0.00 H new ATOM 1632 N TYR A 109 6.325 -4.707 -1.903 1.00 0.00 N ATOM 1633 CA TYR A 109 5.531 -3.781 -1.104 1.00 0.00 C ATOM 1634 C TYR A 109 4.039 -4.044 -1.288 1.00 0.00 C ATOM 1635 O TYR A 109 3.613 -4.578 -2.312 1.00 0.00 O ATOM 1636 CB TYR A 109 5.857 -2.336 -1.484 1.00 0.00 C ATOM 1637 CG TYR A 109 7.242 -1.898 -1.066 1.00 0.00 C ATOM 1638 CD1 TYR A 109 7.541 -1.653 0.269 1.00 0.00 C ATOM 1639 CD2 TYR A 109 8.252 -1.729 -2.005 1.00 0.00 C ATOM 1640 CE1 TYR A 109 8.805 -1.251 0.655 1.00 0.00 C ATOM 1641 CE2 TYR A 109 9.519 -1.329 -1.628 1.00 0.00 C ATOM 1642 CZ TYR A 109 9.791 -1.091 -0.297 1.00 0.00 C ATOM 1643 OH TYR A 109 11.052 -0.692 0.085 1.00 0.00 O ATOM 0 H TYR A 109 5.880 -5.004 -2.771 1.00 0.00 H new ATOM 0 HA TYR A 109 5.783 -3.938 -0.055 1.00 0.00 H new ATOM 0 HB2 TYR A 109 5.759 -2.222 -2.564 1.00 0.00 H new ATOM 0 HB3 TYR A 109 5.122 -1.674 -1.026 1.00 0.00 H new ATOM 0 HD1 TYR A 109 6.772 -1.779 1.017 1.00 0.00 H new ATOM 0 HD2 TYR A 109 8.043 -1.914 -3.048 1.00 0.00 H new ATOM 0 HE1 TYR A 109 9.020 -1.063 1.696 1.00 0.00 H new ATOM 0 HE2 TYR A 109 10.292 -1.203 -2.371 1.00 0.00 H new ATOM 0 HH TYR A 109 11.628 -0.628 -0.705 1.00 0.00 H new ATOM 1653 N TYR A 110 3.251 -3.663 -0.289 1.00 0.00 N ATOM 1654 CA TYR A 110 1.807 -3.858 -0.339 1.00 0.00 C ATOM 1655 C TYR A 110 1.082 -2.754 0.425 1.00 0.00 C ATOM 1656 O TYR A 110 1.685 -2.033 1.219 1.00 0.00 O ATOM 1657 CB TYR A 110 1.435 -5.224 0.241 1.00 0.00 C ATOM 1658 CG TYR A 110 1.709 -5.347 1.722 1.00 0.00 C ATOM 1659 CD1 TYR A 110 2.963 -5.724 2.188 1.00 0.00 C ATOM 1660 CD2 TYR A 110 0.714 -5.087 2.657 1.00 0.00 C ATOM 1661 CE1 TYR A 110 3.217 -5.839 3.541 1.00 0.00 C ATOM 1662 CE2 TYR A 110 0.960 -5.198 4.012 1.00 0.00 C ATOM 1663 CZ TYR A 110 2.213 -5.575 4.449 1.00 0.00 C ATOM 1664 OH TYR A 110 2.463 -5.687 5.797 1.00 0.00 O ATOM 0 H TYR A 110 3.588 -3.218 0.565 1.00 0.00 H new ATOM 0 HA TYR A 110 1.496 -3.817 -1.383 1.00 0.00 H new ATOM 0 HB2 TYR A 110 0.377 -5.411 0.059 1.00 0.00 H new ATOM 0 HB3 TYR A 110 1.991 -5.998 -0.288 1.00 0.00 H new ATOM 0 HD1 TYR A 110 3.752 -5.931 1.480 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -0.269 -4.793 2.318 1.00 0.00 H new ATOM 0 HE1 TYR A 110 4.197 -6.134 3.886 1.00 0.00 H new ATOM 0 HE2 TYR A 110 0.176 -4.991 4.725 1.00 0.00 H new ATOM 0 HH TYR A 110 1.651 -5.466 6.300 1.00 0.00 H new ATOM 1674 N PHE A 111 -0.218 -2.629 0.179 1.00 0.00 N ATOM 1675 CA PHE A 111 -1.028 -1.614 0.843 1.00 0.00 C ATOM 1676 C PHE A 111 -1.678 -2.175 2.104 1.00 0.00 C ATOM 1677 O PHE A 111 -2.071 -3.340 2.165 1.00 0.00 O ATOM 1678 CB PHE A 111 -2.105 -1.088 -0.109 1.00 0.00 C ATOM 1679 CG PHE A 111 -1.555 -0.548 -1.398 1.00 0.00 C ATOM 1680 CD1 PHE A 111 -0.787 0.606 -1.410 1.00 0.00 C ATOM 1681 CD2 PHE A 111 -1.804 -1.195 -2.597 1.00 0.00 C ATOM 1682 CE1 PHE A 111 -0.281 1.105 -2.594 1.00 0.00 C ATOM 1683 CE2 PHE A 111 -1.299 -0.701 -3.785 1.00 0.00 C ATOM 1684 CZ PHE A 111 -0.535 0.450 -3.784 1.00 0.00 C ATOM 0 H PHE A 111 -0.733 -3.218 -0.475 1.00 0.00 H new ATOM 0 HA PHE A 111 -0.372 -0.792 1.129 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -2.806 -1.892 -0.331 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -2.670 -0.302 0.393 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -0.582 1.121 -0.483 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -2.400 -2.096 -2.604 1.00 0.00 H new ATOM 0 HE1 PHE A 111 0.313 2.007 -2.590 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -1.502 -1.214 -4.713 1.00 0.00 H new ATOM 0 HZ PHE A 111 -0.137 0.837 -4.711 1.00 0.00 H new ATOM 1694 N PRO A 112 -1.793 -1.327 3.137 1.00 0.00 N ATOM 1695 CA PRO A 112 -2.394 -1.715 4.416 1.00 0.00 C ATOM 1696 C PRO A 112 -3.899 -1.940 4.306 1.00 0.00 C ATOM 1697 O PRO A 112 -4.542 -2.380 5.258 1.00 0.00 O ATOM 1698 CB PRO A 112 -2.097 -0.519 5.325 1.00 0.00 C ATOM 1699 CG PRO A 112 -1.947 0.635 4.395 1.00 0.00 C ATOM 1700 CD PRO A 112 -1.346 0.076 3.135 1.00 0.00 C ATOM 0 HA PRO A 112 -1.992 -2.659 4.785 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -2.906 -0.352 6.036 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -1.189 -0.679 5.907 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -2.911 1.102 4.194 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -1.305 1.403 4.826 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -1.698 0.609 2.251 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -0.259 0.151 3.141 1.00 0.00 H new ATOM 1708 N ASP A 113 -4.453 -1.634 3.138 1.00 0.00 N ATOM 1709 CA ASP A 113 -5.882 -1.804 2.902 1.00 0.00 C ATOM 1710 C ASP A 113 -6.151 -3.057 2.074 1.00 0.00 C ATOM 1711 O ASP A 113 -7.087 -3.808 2.352 1.00 0.00 O ATOM 1712 CB ASP A 113 -6.453 -0.576 2.192 1.00 0.00 C ATOM 1713 CG ASP A 113 -6.691 0.583 3.140 1.00 0.00 C ATOM 1714 OD1 ASP A 113 -5.750 0.950 3.875 1.00 0.00 O ATOM 1715 OD2 ASP A 113 -7.818 1.122 3.149 1.00 0.00 O ATOM 0 H ASP A 113 -3.934 -1.267 2.340 1.00 0.00 H new ATOM 0 HA ASP A 113 -6.374 -1.917 3.868 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -5.766 -0.263 1.405 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -7.392 -0.844 1.708 1.00 0.00 H new ATOM 1720 N SER A 114 -5.325 -3.276 1.056 1.00 0.00 N ATOM 1721 CA SER A 114 -5.477 -4.435 0.184 1.00 0.00 C ATOM 1722 C SER A 114 -5.416 -5.731 0.988 1.00 0.00 C ATOM 1723 O SER A 114 -5.061 -5.728 2.165 1.00 0.00 O ATOM 1724 CB SER A 114 -4.388 -4.437 -0.891 1.00 0.00 C ATOM 1725 OG SER A 114 -4.802 -3.713 -2.037 1.00 0.00 O ATOM 0 H SER A 114 -4.544 -2.666 0.815 1.00 0.00 H new ATOM 0 HA SER A 114 -6.453 -4.372 -0.297 1.00 0.00 H new ATOM 0 HB2 SER A 114 -3.475 -3.997 -0.489 1.00 0.00 H new ATOM 0 HB3 SER A 114 -4.151 -5.463 -1.171 1.00 0.00 H new ATOM 0 HG SER A 114 -4.088 -3.728 -2.709 1.00 0.00 H new ATOM 1731 N GLY A 115 -5.767 -6.838 0.340 1.00 0.00 N ATOM 1732 CA GLY A 115 -5.746 -8.126 1.009 1.00 0.00 C ATOM 1733 C GLY A 115 -4.503 -8.929 0.682 1.00 0.00 C ATOM 1734 O GLY A 115 -4.555 -9.875 -0.104 1.00 0.00 O ATOM 0 H GLY A 115 -6.065 -6.866 -0.635 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -5.803 -7.973 2.087 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -6.629 -8.696 0.721 1.00 0.00 H new ATOM 1738 N PHE A 116 -3.381 -8.551 1.286 1.00 0.00 N ATOM 1739 CA PHE A 116 -2.118 -9.241 1.053 1.00 0.00 C ATOM 1740 C PHE A 116 -1.901 -10.342 2.087 1.00 0.00 C ATOM 1741 O PHE A 116 -2.525 -10.345 3.148 1.00 0.00 O ATOM 1742 CB PHE A 116 -0.954 -8.248 1.098 1.00 0.00 C ATOM 1743 CG PHE A 116 0.364 -8.884 1.437 1.00 0.00 C ATOM 1744 CD1 PHE A 116 0.656 -9.249 2.741 1.00 0.00 C ATOM 1745 CD2 PHE A 116 1.310 -9.115 0.452 1.00 0.00 C ATOM 1746 CE1 PHE A 116 1.868 -9.835 3.056 1.00 0.00 C ATOM 1747 CE2 PHE A 116 2.523 -9.700 0.761 1.00 0.00 C ATOM 1748 CZ PHE A 116 2.803 -10.060 2.065 1.00 0.00 C ATOM 0 H PHE A 116 -3.321 -7.771 1.940 1.00 0.00 H new ATOM 0 HA PHE A 116 -2.159 -9.698 0.064 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -0.871 -7.753 0.130 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -1.175 -7.475 1.834 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -0.071 -9.074 3.520 1.00 0.00 H new ATOM 0 HD2 PHE A 116 1.097 -8.835 -0.569 1.00 0.00 H new ATOM 0 HE1 PHE A 116 2.083 -10.117 4.076 1.00 0.00 H new ATOM 0 HE2 PHE A 116 3.252 -9.876 -0.016 1.00 0.00 H new ATOM 0 HZ PHE A 116 3.751 -10.516 2.309 1.00 0.00 H new ATOM 1758 N PHE A 117 -1.012 -11.277 1.769 1.00 0.00 N ATOM 1759 CA PHE A 117 -0.713 -12.385 2.668 1.00 0.00 C ATOM 1760 C PHE A 117 0.475 -13.195 2.157 1.00 0.00 C ATOM 1761 O PHE A 117 0.439 -13.741 1.053 1.00 0.00 O ATOM 1762 CB PHE A 117 -1.936 -13.292 2.819 1.00 0.00 C ATOM 1763 CG PHE A 117 -2.377 -13.922 1.529 1.00 0.00 C ATOM 1764 CD1 PHE A 117 -1.758 -15.067 1.054 1.00 0.00 C ATOM 1765 CD2 PHE A 117 -3.412 -13.370 0.791 1.00 0.00 C ATOM 1766 CE1 PHE A 117 -2.162 -15.649 -0.132 1.00 0.00 C ATOM 1767 CE2 PHE A 117 -3.820 -13.948 -0.397 1.00 0.00 C ATOM 1768 CZ PHE A 117 -3.195 -15.089 -0.858 1.00 0.00 C ATOM 0 H PHE A 117 -0.486 -11.289 0.895 1.00 0.00 H new ATOM 0 HA PHE A 117 -0.455 -11.970 3.642 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -1.709 -14.078 3.539 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -2.761 -12.711 3.231 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -0.950 -15.510 1.618 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -3.906 -12.478 1.148 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -1.671 -16.541 -0.491 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -4.627 -13.507 -0.964 1.00 0.00 H new ATOM 0 HZ PHE A 117 -3.513 -15.543 -1.785 1.00 0.00 H new ATOM 1778 N CYS A 118 1.526 -13.269 2.966 1.00 0.00 N ATOM 1779 CA CYS A 118 2.726 -14.011 2.596 1.00 0.00 C ATOM 1780 C CYS A 118 2.508 -15.512 2.758 1.00 0.00 C ATOM 1781 O CYS A 118 1.973 -15.965 3.769 1.00 0.00 O ATOM 1782 CB CYS A 118 3.912 -13.560 3.449 1.00 0.00 C ATOM 1783 SG CYS A 118 3.823 -14.089 5.176 1.00 0.00 S ATOM 0 H CYS A 118 1.572 -12.824 3.883 1.00 0.00 H new ATOM 0 HA CYS A 118 2.943 -13.805 1.548 1.00 0.00 H new ATOM 0 HB2 CYS A 118 4.831 -13.947 3.008 1.00 0.00 H new ATOM 0 HB3 CYS A 118 3.977 -12.472 3.416 1.00 0.00 H new ATOM 0 HG CYS A 118 3.037 -15.120 5.274 1.00 0.00 H new ATOM 1789 N GLU A 119 2.925 -16.276 1.753 1.00 0.00 N ATOM 1790 CA GLU A 119 2.773 -17.726 1.784 1.00 0.00 C ATOM 1791 C GLU A 119 4.132 -18.414 1.879 1.00 0.00 C ATOM 1792 O GLU A 119 4.862 -18.506 0.892 1.00 0.00 O ATOM 1793 CB GLU A 119 2.030 -18.210 0.536 1.00 0.00 C ATOM 1794 CG GLU A 119 0.705 -17.504 0.305 1.00 0.00 C ATOM 1795 CD GLU A 119 -0.321 -17.825 1.374 1.00 0.00 C ATOM 1796 OE1 GLU A 119 -0.110 -17.428 2.539 1.00 0.00 O ATOM 1797 OE2 GLU A 119 -1.337 -18.473 1.045 1.00 0.00 O ATOM 0 H GLU A 119 3.370 -15.916 0.909 1.00 0.00 H new ATOM 0 HA GLU A 119 2.191 -17.986 2.668 1.00 0.00 H new ATOM 0 HB2 GLU A 119 2.667 -18.063 -0.336 1.00 0.00 H new ATOM 0 HB3 GLU A 119 1.851 -19.282 0.623 1.00 0.00 H new ATOM 0 HG2 GLU A 119 0.871 -16.427 0.278 1.00 0.00 H new ATOM 0 HG3 GLU A 119 0.310 -17.790 -0.670 1.00 0.00 H new ATOM 1804 N GLU A 120 4.463 -18.894 3.073 1.00 0.00 N ATOM 1805 CA GLU A 120 5.735 -19.572 3.297 1.00 0.00 C ATOM 1806 C GLU A 120 5.635 -21.050 2.932 1.00 0.00 C ATOM 1807 O GLU A 120 6.121 -21.915 3.660 1.00 0.00 O ATOM 1808 CB GLU A 120 6.167 -19.424 4.757 1.00 0.00 C ATOM 1809 CG GLU A 120 7.017 -18.192 5.019 1.00 0.00 C ATOM 1810 CD GLU A 120 7.592 -18.167 6.422 1.00 0.00 C ATOM 1811 OE1 GLU A 120 6.801 -18.170 7.388 1.00 0.00 O ATOM 1812 OE2 GLU A 120 8.834 -18.146 6.553 1.00 0.00 O ATOM 0 H GLU A 120 3.869 -18.826 3.900 1.00 0.00 H new ATOM 0 HA GLU A 120 6.483 -19.107 2.655 1.00 0.00 H new ATOM 0 HB2 GLU A 120 5.279 -19.383 5.387 1.00 0.00 H new ATOM 0 HB3 GLU A 120 6.727 -20.311 5.053 1.00 0.00 H new ATOM 0 HG2 GLU A 120 7.832 -18.157 4.296 1.00 0.00 H new ATOM 0 HG3 GLU A 120 6.413 -17.298 4.862 1.00 0.00 H new ATOM 1819 N ASN A 121 5.000 -21.332 1.799 1.00 0.00 N ATOM 1820 CA ASN A 121 4.835 -22.706 1.337 1.00 0.00 C ATOM 1821 C ASN A 121 6.068 -23.543 1.666 1.00 0.00 C ATOM 1822 O ASN A 121 7.164 -23.270 1.178 1.00 0.00 O ATOM 1823 CB ASN A 121 4.576 -22.731 -0.171 1.00 0.00 C ATOM 1824 CG ASN A 121 3.140 -22.384 -0.517 1.00 0.00 C ATOM 1825 OD1 ASN A 121 2.851 -21.281 -0.980 1.00 0.00 O ATOM 1826 ND2 ASN A 121 2.233 -23.328 -0.292 1.00 0.00 N ATOM 0 H ASN A 121 4.591 -20.628 1.184 1.00 0.00 H new ATOM 0 HA ASN A 121 3.977 -23.136 1.854 1.00 0.00 H new ATOM 0 HB2 ASN A 121 5.246 -22.026 -0.664 1.00 0.00 H new ATOM 0 HB3 ASN A 121 4.812 -23.721 -0.561 1.00 0.00 H new ATOM 0 HD21 ASN A 121 1.251 -23.153 -0.505 1.00 0.00 H new ATOM 0 HD22 ASN A 121 2.519 -24.228 0.093 1.00 0.00 H new ATOM 1833 N SER A 122 5.879 -24.563 2.496 1.00 0.00 N ATOM 1834 CA SER A 122 6.975 -25.438 2.894 1.00 0.00 C ATOM 1835 C SER A 122 6.577 -26.905 2.756 1.00 0.00 C ATOM 1836 O SER A 122 5.411 -27.224 2.529 1.00 0.00 O ATOM 1837 CB SER A 122 7.393 -25.145 4.336 1.00 0.00 C ATOM 1838 OG SER A 122 6.439 -25.647 5.255 1.00 0.00 O ATOM 0 H SER A 122 4.977 -24.804 2.906 1.00 0.00 H new ATOM 0 HA SER A 122 7.819 -25.245 2.232 1.00 0.00 H new ATOM 0 HB2 SER A 122 8.366 -25.595 4.535 1.00 0.00 H new ATOM 0 HB3 SER A 122 7.505 -24.070 4.474 1.00 0.00 H new ATOM 0 HG SER A 122 6.730 -25.449 6.170 1.00 0.00 H new ATOM 1844 N GLY A 123 7.557 -27.793 2.894 1.00 0.00 N ATOM 1845 CA GLY A 123 7.290 -29.215 2.782 1.00 0.00 C ATOM 1846 C GLY A 123 7.867 -30.006 3.939 1.00 0.00 C ATOM 1847 O GLY A 123 8.135 -29.469 5.014 1.00 0.00 O ATOM 0 H GLY A 123 8.531 -27.553 3.081 1.00 0.00 H new ATOM 0 HA2 GLY A 123 6.213 -29.377 2.737 1.00 0.00 H new ATOM 0 HA3 GLY A 123 7.708 -29.588 1.847 1.00 0.00 H new ATOM 1851 N PRO A 124 8.064 -31.316 3.726 1.00 0.00 N ATOM 1852 CA PRO A 124 8.613 -32.211 4.749 1.00 0.00 C ATOM 1853 C PRO A 124 10.086 -31.935 5.030 1.00 0.00 C ATOM 1854 O PRO A 124 10.952 -32.237 4.210 1.00 0.00 O ATOM 1855 CB PRO A 124 8.438 -33.602 4.134 1.00 0.00 C ATOM 1856 CG PRO A 124 8.416 -33.366 2.664 1.00 0.00 C ATOM 1857 CD PRO A 124 7.767 -32.023 2.469 1.00 0.00 C ATOM 0 HA PRO A 124 8.112 -32.088 5.709 1.00 0.00 H new ATOM 0 HB2 PRO A 124 9.256 -34.265 4.416 1.00 0.00 H new ATOM 0 HB3 PRO A 124 7.515 -34.072 4.473 1.00 0.00 H new ATOM 0 HG2 PRO A 124 9.425 -33.375 2.252 1.00 0.00 H new ATOM 0 HG3 PRO A 124 7.856 -34.148 2.152 1.00 0.00 H new ATOM 0 HD2 PRO A 124 8.178 -31.499 1.606 1.00 0.00 H new ATOM 0 HD3 PRO A 124 6.694 -32.115 2.304 1.00 0.00 H new ATOM 1865 N SER A 125 10.363 -31.358 6.196 1.00 0.00 N ATOM 1866 CA SER A 125 11.732 -31.038 6.584 1.00 0.00 C ATOM 1867 C SER A 125 12.469 -30.336 5.447 1.00 0.00 C ATOM 1868 O SER A 125 13.651 -30.585 5.212 1.00 0.00 O ATOM 1869 CB SER A 125 12.482 -32.311 6.983 1.00 0.00 C ATOM 1870 OG SER A 125 12.293 -32.604 8.357 1.00 0.00 O ATOM 0 H SER A 125 9.658 -31.103 6.888 1.00 0.00 H new ATOM 0 HA SER A 125 11.693 -30.364 7.440 1.00 0.00 H new ATOM 0 HB2 SER A 125 12.133 -33.148 6.378 1.00 0.00 H new ATOM 0 HB3 SER A 125 13.545 -32.190 6.776 1.00 0.00 H new ATOM 0 HG SER A 125 12.780 -33.422 8.587 1.00 0.00 H new ATOM 1876 N SER A 126 11.761 -29.457 4.746 1.00 0.00 N ATOM 1877 CA SER A 126 12.345 -28.720 3.631 1.00 0.00 C ATOM 1878 C SER A 126 12.784 -27.327 4.071 1.00 0.00 C ATOM 1879 O SER A 126 13.850 -26.849 3.686 1.00 0.00 O ATOM 1880 CB SER A 126 11.341 -28.612 2.481 1.00 0.00 C ATOM 1881 OG SER A 126 11.989 -28.266 1.269 1.00 0.00 O ATOM 0 H SER A 126 10.782 -29.237 4.930 1.00 0.00 H new ATOM 0 HA SER A 126 13.223 -29.267 3.287 1.00 0.00 H new ATOM 0 HB2 SER A 126 10.819 -29.561 2.360 1.00 0.00 H new ATOM 0 HB3 SER A 126 10.587 -27.862 2.721 1.00 0.00 H new ATOM 0 HG SER A 126 11.326 -28.205 0.550 1.00 0.00 H new ATOM 1887 N GLY A 127 11.952 -26.680 4.881 1.00 0.00 N ATOM 1888 CA GLY A 127 12.270 -25.347 5.361 1.00 0.00 C ATOM 1889 C GLY A 127 12.104 -25.217 6.862 1.00 0.00 C ATOM 1890 O GLY A 127 11.268 -24.449 7.337 1.00 0.00 O ATOM 0 H GLY A 127 11.063 -27.055 5.214 1.00 0.00 H new ATOM 0 HA2 GLY A 127 13.297 -25.102 5.089 1.00 0.00 H new ATOM 0 HA3 GLY A 127 11.627 -24.622 4.863 1.00 0.00 H new TER 1894 GLY A 127