USER MOD reduce.3.24.130724 H: found=0, std=0, add=988, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 978 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 93 TYR OH : rot -65:sc= 0.912 USER MOD Set 1.2: A 95 HIS : no HE2:sc= -4.03! C(o=-3.1!,f=-8.2!) USER MOD Set 2.1: A 49 LYS NZ :NH3+ 177:sc= 0.00084 (180deg=0) USER MOD Set 2.2: A 73 TYR OH : rot 180:sc=0.000755 USER MOD Set 3.1: A 62 HIS :FLIP no HD1:sc= -0.921! C(o=-4.3!,f=0.086!) USER MOD Set 3.2: A 67 TYR OH : rot 29:sc= 1.01 USER MOD Set 4.1: A 40 TYR OH : rot 165:sc= -0.219 USER MOD Set 4.2: A 96 ASN : amide:sc= -0.322 K(o=-0.54,f=-3.8!) USER MOD Set 5.1: A 25 CYS SG : rot 77:sc= 0.884 USER MOD Set 5.2: A 56 TYR OH : rot 180:sc= -0.02 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 164:sc= -0.343 (180deg=-1.21) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN :FLIP amide:sc= -1.13! C(o=-2.9!,f=-1.1!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 HIS : no HD1:sc= -0.0871 K(o=-0.087,f=-4!) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot -87:sc= 0.0119 USER MOD Single : A 13 ASN : amide:sc= -1.67! C(o=-1.7!,f=-3.3!) USER MOD Single : A 16 ASN : amide:sc= -0.274 K(o=-0.27,f=-2.1!) USER MOD Single : A 22 LYS NZ :NH3+ -163:sc= -0.0264 (180deg=-0.351) USER MOD Single : A 27 SER OG : rot 42:sc= 0.123 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 47 SER OG : rot -92:sc= 0.946 USER MOD Single : A 48 ASN : amide:sc= -4.72! C(o=-4.7!,f=-7.5!) USER MOD Single : A 52 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 53 THR OG1 : rot -171:sc= -0.65 USER MOD Single : A 54 ASN : amide:sc= -0.551 K(o=-0.55,f=-5.4!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 108:sc= -0.791 USER MOD Single : A 60 THR OG1 : rot -170:sc= -0.689 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 78:sc= 0.954 USER MOD Single : A 65 ASN : amide:sc= -0.172 K(o=-0.17,f=-2.5!) USER MOD Single : A 72 TYR OH : rot 180:sc= -0.199 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 75 LYS NZ :NH3+ 162:sc= -0.04 (180deg=-0.478) USER MOD Single : A 76 GLN : amide:sc= -0.266 X(o=-0.27,f=-0.24) USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=-0.076) USER MOD Single : A 89 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 140:sc= -0.0253 USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= -0.612 K(o=-0.61,f=-1.2) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot 180:sc= -0.0721 USER MOD Single : A 112 GLN : amide:sc= -5.29! C(o=-5.3!,f=-15!) USER MOD Single : A 115 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 116 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 117 HIS :FLIP no HD1:sc= -0.22 F(o=-1.8,f=-0.22) USER MOD Single : A 118 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 119 HIS : no HD1:sc= -0.126 K(o=-0.13,f=-0.9) USER MOD Single : A 120 HIS : no HD1:sc=-0.00511 X(o=-0.0051,f=-0.0051) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.339 -8.172 19.633 1.00 0.00 N ATOM 2 CA MET A 1 -7.968 -9.304 18.900 1.00 0.00 C ATOM 3 C MET A 1 -9.485 -9.121 18.935 1.00 0.00 C ATOM 4 O MET A 1 -10.244 -10.057 18.766 1.00 0.00 O ATOM 5 CB MET A 1 -7.585 -10.632 19.565 1.00 0.00 C ATOM 6 CG MET A 1 -7.588 -10.470 21.086 1.00 0.00 C ATOM 7 SD MET A 1 -7.202 -12.062 21.858 1.00 0.00 S ATOM 8 CE MET A 1 -7.372 -11.529 23.580 1.00 0.00 C ATOM 0 H1 MET A 1 -6.351 -8.409 19.856 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.365 -7.318 19.041 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.860 -7.998 20.516 1.00 0.00 H new ATOM 0 HA MET A 1 -7.620 -9.320 17.867 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.288 -11.412 19.272 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.598 -10.948 19.226 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.855 -9.721 21.385 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.562 -10.116 21.424 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.173 -12.371 24.243 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.660 -10.729 23.785 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.385 -11.165 23.750 1.00 0.00 H new ATOM 20 N THR A 2 -9.925 -7.908 19.154 1.00 0.00 N ATOM 21 CA THR A 2 -11.388 -7.609 19.206 1.00 0.00 C ATOM 22 C THR A 2 -11.726 -6.646 18.068 1.00 0.00 C ATOM 23 O THR A 2 -12.863 -6.512 17.658 1.00 0.00 O ATOM 24 CB THR A 2 -11.721 -6.952 20.551 1.00 0.00 C ATOM 25 OG1 THR A 2 -12.855 -6.111 20.393 1.00 0.00 O ATOM 26 CG2 THR A 2 -10.529 -6.116 21.031 1.00 0.00 C ATOM 0 H THR A 2 -9.322 -7.099 19.301 1.00 0.00 H new ATOM 0 HA THR A 2 -11.966 -8.527 19.101 1.00 0.00 H new ATOM 0 HB THR A 2 -11.935 -7.726 21.288 1.00 0.00 H new ATOM 0 HG1 THR A 2 -13.072 -5.690 21.251 1.00 0.00 H new ATOM 0 HG21 THR A 2 -10.772 -5.652 21.987 1.00 0.00 H new ATOM 0 HG22 THR A 2 -9.658 -6.760 21.151 1.00 0.00 H new ATOM 0 HG23 THR A 2 -10.309 -5.341 20.297 1.00 0.00 H new ATOM 34 N LEU A 3 -10.735 -5.976 17.552 1.00 0.00 N ATOM 35 CA LEU A 3 -10.982 -5.021 16.431 1.00 0.00 C ATOM 36 C LEU A 3 -11.489 -5.797 15.212 1.00 0.00 C ATOM 37 O LEU A 3 -12.386 -5.371 14.511 1.00 0.00 O ATOM 38 CB LEU A 3 -9.674 -4.302 16.067 1.00 0.00 C ATOM 39 CG LEU A 3 -9.925 -3.265 14.957 1.00 0.00 C ATOM 40 CD1 LEU A 3 -10.934 -2.207 15.433 1.00 0.00 C ATOM 41 CD2 LEU A 3 -8.597 -2.585 14.587 1.00 0.00 C ATOM 0 H LEU A 3 -9.764 -6.047 17.856 1.00 0.00 H new ATOM 0 HA LEU A 3 -11.726 -4.285 16.737 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -9.265 -3.809 16.949 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -8.932 -5.028 15.735 1.00 0.00 H new ATOM 0 HG LEU A 3 -10.335 -3.771 14.083 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -11.102 -1.480 14.638 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -11.877 -2.692 15.687 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -10.540 -1.698 16.312 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -8.771 -1.850 13.801 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -8.186 -2.087 15.465 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -7.891 -3.335 14.232 1.00 0.00 H new ATOM 53 N GLU A 4 -10.910 -6.936 14.959 1.00 0.00 N ATOM 54 CA GLU A 4 -11.338 -7.757 13.791 1.00 0.00 C ATOM 55 C GLU A 4 -12.813 -8.144 13.954 1.00 0.00 C ATOM 56 O GLU A 4 -13.573 -8.170 13.005 1.00 0.00 O ATOM 57 CB GLU A 4 -10.478 -9.023 13.738 1.00 0.00 C ATOM 58 CG GLU A 4 -10.861 -9.861 12.518 1.00 0.00 C ATOM 59 CD GLU A 4 -9.951 -11.090 12.426 1.00 0.00 C ATOM 60 OE1 GLU A 4 -8.925 -11.096 13.087 1.00 0.00 O ATOM 61 OE2 GLU A 4 -10.295 -12.004 11.696 1.00 0.00 O ATOM 0 H GLU A 4 -10.154 -7.337 15.514 1.00 0.00 H new ATOM 0 HA GLU A 4 -11.216 -7.188 12.869 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -9.423 -8.755 13.689 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -10.617 -9.606 14.649 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -11.903 -10.173 12.592 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -10.772 -9.262 11.612 1.00 0.00 H new ATOM 68 N LEU A 5 -13.217 -8.451 15.154 1.00 0.00 N ATOM 69 CA LEU A 5 -14.640 -8.840 15.397 1.00 0.00 C ATOM 70 C LEU A 5 -15.561 -7.656 15.069 1.00 0.00 C ATOM 71 O LEU A 5 -16.615 -7.813 14.483 1.00 0.00 O ATOM 72 CB LEU A 5 -14.811 -9.222 16.872 1.00 0.00 C ATOM 73 CG LEU A 5 -14.334 -10.658 17.104 1.00 0.00 C ATOM 74 CD1 LEU A 5 -12.843 -10.760 16.782 1.00 0.00 C ATOM 75 CD2 LEU A 5 -14.564 -11.039 18.569 1.00 0.00 C ATOM 0 H LEU A 5 -12.623 -8.450 15.983 1.00 0.00 H new ATOM 0 HA LEU A 5 -14.900 -9.687 14.762 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -14.243 -8.536 17.501 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -15.858 -9.127 17.161 1.00 0.00 H new ATOM 0 HG LEU A 5 -14.892 -11.335 16.457 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -12.504 -11.783 16.947 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -12.676 -10.487 15.740 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -12.284 -10.084 17.429 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -14.225 -12.061 18.737 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -14.005 -10.361 19.213 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -15.626 -10.966 18.801 1.00 0.00 H new ATOM 87 N GLN A 6 -15.173 -6.473 15.455 1.00 0.00 N ATOM 88 CA GLN A 6 -16.023 -5.278 15.178 1.00 0.00 C ATOM 89 C GLN A 6 -16.135 -5.071 13.670 1.00 0.00 C ATOM 90 O GLN A 6 -17.163 -4.673 13.156 1.00 0.00 O ATOM 91 CB GLN A 6 -15.384 -4.039 15.810 1.00 0.00 C ATOM 92 CG GLN A 6 -15.451 -4.141 17.336 1.00 0.00 C ATOM 93 CD GLN A 6 -14.789 -2.911 17.963 1.00 0.00 C ATOM 94 OE1 GLN A 6 -14.693 -2.832 19.263 1.00 0.00 O flip ATOM 95 NE2 GLN A 6 -14.359 -2.013 17.266 1.00 0.00 N flip ATOM 0 H GLN A 6 -14.303 -6.280 15.951 1.00 0.00 H new ATOM 0 HA GLN A 6 -17.015 -5.435 15.601 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -14.347 -3.949 15.488 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -15.901 -3.140 15.474 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -16.489 -4.213 17.660 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -14.949 -5.048 17.672 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -14.434 -2.075 16.251 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -13.923 -1.197 17.696 1.00 0.00 H new ATOM 104 N LEU A 7 -15.081 -5.329 12.958 1.00 0.00 N ATOM 105 CA LEU A 7 -15.118 -5.142 11.481 1.00 0.00 C ATOM 106 C LEU A 7 -16.163 -6.082 10.877 1.00 0.00 C ATOM 107 O LEU A 7 -16.913 -5.716 9.993 1.00 0.00 O ATOM 108 CB LEU A 7 -13.740 -5.468 10.895 1.00 0.00 C ATOM 109 CG LEU A 7 -13.745 -5.248 9.373 1.00 0.00 C ATOM 110 CD1 LEU A 7 -14.037 -3.772 9.051 1.00 0.00 C ATOM 111 CD2 LEU A 7 -12.383 -5.658 8.791 1.00 0.00 C ATOM 0 H LEU A 7 -14.192 -5.662 13.332 1.00 0.00 H new ATOM 0 HA LEU A 7 -15.379 -4.110 11.248 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -12.981 -4.838 11.358 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -13.476 -6.502 11.120 1.00 0.00 H new ATOM 0 HG LEU A 7 -14.526 -5.862 8.924 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -14.038 -3.629 7.970 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -15.012 -3.498 9.454 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -13.268 -3.143 9.500 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -12.387 -5.502 7.712 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -11.597 -5.052 9.243 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -12.198 -6.711 9.005 1.00 0.00 H new ATOM 123 N LYS A 8 -16.210 -7.294 11.342 1.00 0.00 N ATOM 124 CA LYS A 8 -17.199 -8.266 10.796 1.00 0.00 C ATOM 125 C LYS A 8 -18.616 -7.748 11.064 1.00 0.00 C ATOM 126 O LYS A 8 -19.487 -7.803 10.217 1.00 0.00 O ATOM 127 CB LYS A 8 -17.003 -9.606 11.504 1.00 0.00 C ATOM 128 CG LYS A 8 -15.665 -10.223 11.082 1.00 0.00 C ATOM 129 CD LYS A 8 -15.358 -11.452 11.952 1.00 0.00 C ATOM 130 CE LYS A 8 -16.271 -12.620 11.563 1.00 0.00 C ATOM 131 NZ LYS A 8 -15.756 -13.877 12.178 1.00 0.00 N ATOM 0 H LYS A 8 -15.606 -7.658 12.079 1.00 0.00 H new ATOM 0 HA LYS A 8 -17.057 -8.387 9.722 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -17.024 -9.464 12.584 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -17.821 -10.282 11.256 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -15.703 -10.511 10.031 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -14.867 -9.487 11.183 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -14.314 -11.741 11.830 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -15.499 -11.206 13.004 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -17.290 -12.428 11.900 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -16.308 -12.721 10.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -16.374 -14.671 11.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -14.791 -14.061 11.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -15.742 -13.777 13.213 1.00 0.00 H new ATOM 145 N HIS A 9 -18.848 -7.244 12.242 1.00 0.00 N ATOM 146 CA HIS A 9 -20.199 -6.713 12.589 1.00 0.00 C ATOM 147 C HIS A 9 -20.486 -5.440 11.784 1.00 0.00 C ATOM 148 O HIS A 9 -21.580 -5.228 11.298 1.00 0.00 O ATOM 149 CB HIS A 9 -20.233 -6.374 14.078 1.00 0.00 C ATOM 150 CG HIS A 9 -20.109 -7.633 14.888 1.00 0.00 C ATOM 151 ND1 HIS A 9 -21.042 -8.652 14.814 1.00 0.00 N ATOM 152 CD2 HIS A 9 -19.169 -8.050 15.798 1.00 0.00 C ATOM 153 CE1 HIS A 9 -20.649 -9.625 15.655 1.00 0.00 C ATOM 154 NE2 HIS A 9 -19.512 -9.309 16.281 1.00 0.00 N ATOM 0 H HIS A 9 -18.155 -7.175 12.987 1.00 0.00 H new ATOM 0 HA HIS A 9 -20.951 -7.466 12.354 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -19.420 -5.691 14.324 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -21.164 -5.863 14.323 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -18.296 -7.487 16.094 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -21.187 -10.549 15.806 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -19.005 -9.870 16.965 1.00 0.00 H new ATOM 162 N TYR A 10 -19.514 -4.584 11.663 1.00 0.00 N ATOM 163 CA TYR A 10 -19.717 -3.308 10.911 1.00 0.00 C ATOM 164 C TYR A 10 -20.050 -3.603 9.444 1.00 0.00 C ATOM 165 O TYR A 10 -20.948 -3.023 8.865 1.00 0.00 O ATOM 166 CB TYR A 10 -18.433 -2.481 10.974 1.00 0.00 C ATOM 167 CG TYR A 10 -18.599 -1.230 10.144 1.00 0.00 C ATOM 168 CD1 TYR A 10 -19.284 -0.131 10.673 1.00 0.00 C ATOM 169 CD2 TYR A 10 -18.075 -1.173 8.848 1.00 0.00 C ATOM 170 CE1 TYR A 10 -19.447 1.027 9.904 1.00 0.00 C ATOM 171 CE2 TYR A 10 -18.237 -0.014 8.079 1.00 0.00 C ATOM 172 CZ TYR A 10 -18.924 1.086 8.607 1.00 0.00 C ATOM 173 OH TYR A 10 -19.084 2.228 7.848 1.00 0.00 O ATOM 0 H TYR A 10 -18.580 -4.710 12.053 1.00 0.00 H new ATOM 0 HA TYR A 10 -20.544 -2.758 11.361 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -18.208 -2.217 12.007 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -17.592 -3.067 10.604 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -19.687 -0.176 11.674 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -17.546 -2.022 8.441 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -19.977 1.875 10.312 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -17.832 0.031 7.079 1.00 0.00 H new ATOM 0 HH TYR A 10 -18.660 2.102 6.973 1.00 0.00 H new ATOM 183 N ILE A 11 -19.313 -4.485 8.835 1.00 0.00 N ATOM 184 CA ILE A 11 -19.558 -4.814 7.401 1.00 0.00 C ATOM 185 C ILE A 11 -20.948 -5.444 7.229 1.00 0.00 C ATOM 186 O ILE A 11 -21.675 -5.129 6.306 1.00 0.00 O ATOM 187 CB ILE A 11 -18.479 -5.791 6.927 1.00 0.00 C ATOM 188 CG1 ILE A 11 -17.125 -5.072 6.891 1.00 0.00 C ATOM 189 CG2 ILE A 11 -18.819 -6.312 5.528 1.00 0.00 C ATOM 190 CD1 ILE A 11 -16.005 -6.091 6.668 1.00 0.00 C ATOM 0 H ILE A 11 -18.545 -4.997 9.270 1.00 0.00 H new ATOM 0 HA ILE A 11 -19.518 -3.902 6.806 1.00 0.00 H new ATOM 0 HB ILE A 11 -18.431 -6.634 7.617 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -17.118 -4.329 6.093 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -16.962 -4.537 7.826 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -18.045 -7.006 5.200 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -19.780 -6.826 5.555 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -18.874 -5.475 4.832 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -15.044 -5.576 6.643 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -16.007 -6.817 7.481 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -16.165 -6.606 5.721 1.00 0.00 H new ATOM 202 N THR A 12 -21.318 -6.342 8.096 1.00 0.00 N ATOM 203 CA THR A 12 -22.654 -6.996 7.965 1.00 0.00 C ATOM 204 C THR A 12 -23.772 -5.959 8.129 1.00 0.00 C ATOM 205 O THR A 12 -24.725 -5.928 7.375 1.00 0.00 O ATOM 206 CB THR A 12 -22.800 -8.069 9.046 1.00 0.00 C ATOM 207 OG1 THR A 12 -22.433 -7.522 10.304 1.00 0.00 O ATOM 208 CG2 THR A 12 -21.895 -9.261 8.724 1.00 0.00 C ATOM 0 H THR A 12 -20.757 -6.653 8.889 1.00 0.00 H new ATOM 0 HA THR A 12 -22.731 -7.449 6.977 1.00 0.00 H new ATOM 0 HB THR A 12 -23.836 -8.406 9.080 1.00 0.00 H new ATOM 0 HG1 THR A 12 -21.466 -7.615 10.432 1.00 0.00 H new ATOM 0 HG21 THR A 12 -22.005 -10.021 9.498 1.00 0.00 H new ATOM 0 HG22 THR A 12 -22.178 -9.682 7.759 1.00 0.00 H new ATOM 0 HG23 THR A 12 -20.857 -8.930 8.685 1.00 0.00 H new ATOM 216 N ASN A 13 -23.666 -5.119 9.116 1.00 0.00 N ATOM 217 CA ASN A 13 -24.717 -4.085 9.339 1.00 0.00 C ATOM 218 C ASN A 13 -24.704 -3.075 8.187 1.00 0.00 C ATOM 219 O ASN A 13 -25.735 -2.637 7.715 1.00 0.00 O ATOM 220 CB ASN A 13 -24.429 -3.364 10.657 1.00 0.00 C ATOM 221 CG ASN A 13 -25.478 -2.277 10.905 1.00 0.00 C ATOM 222 OD1 ASN A 13 -26.298 -1.996 10.052 1.00 0.00 O ATOM 223 ND2 ASN A 13 -25.484 -1.647 12.050 1.00 0.00 N ATOM 0 H ASN A 13 -22.894 -5.102 9.783 1.00 0.00 H new ATOM 0 HA ASN A 13 -25.697 -4.560 9.382 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -24.434 -4.079 11.480 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -23.434 -2.920 10.627 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -26.176 -0.920 12.228 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -24.796 -1.883 12.765 1.00 0.00 H new ATOM 230 N LEU A 14 -23.540 -2.692 7.743 1.00 0.00 N ATOM 231 CA LEU A 14 -23.461 -1.697 6.632 1.00 0.00 C ATOM 232 C LEU A 14 -24.069 -2.276 5.350 1.00 0.00 C ATOM 233 O LEU A 14 -24.801 -1.610 4.646 1.00 0.00 O ATOM 234 CB LEU A 14 -21.995 -1.315 6.380 1.00 0.00 C ATOM 235 CG LEU A 14 -21.893 -0.358 5.177 1.00 0.00 C ATOM 236 CD1 LEU A 14 -22.791 0.867 5.398 1.00 0.00 C ATOM 237 CD2 LEU A 14 -20.436 0.098 5.014 1.00 0.00 C ATOM 0 H LEU A 14 -22.642 -3.022 8.098 1.00 0.00 H new ATOM 0 HA LEU A 14 -24.025 -0.809 6.919 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -21.578 -0.840 7.268 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -21.405 -2.212 6.191 1.00 0.00 H new ATOM 0 HG LEU A 14 -22.220 -0.879 4.277 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -22.711 1.536 4.541 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -23.826 0.544 5.510 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -22.475 1.392 6.299 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -20.360 0.775 4.164 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -20.113 0.613 5.918 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -19.800 -0.771 4.844 1.00 0.00 H new ATOM 249 N PHE A 15 -23.766 -3.508 5.036 1.00 0.00 N ATOM 250 CA PHE A 15 -24.320 -4.129 3.792 1.00 0.00 C ATOM 251 C PHE A 15 -25.523 -4.997 4.169 1.00 0.00 C ATOM 252 O PHE A 15 -26.168 -5.599 3.331 1.00 0.00 O ATOM 253 CB PHE A 15 -23.227 -4.974 3.127 1.00 0.00 C ATOM 254 CG PHE A 15 -22.213 -4.049 2.496 1.00 0.00 C ATOM 255 CD1 PHE A 15 -22.441 -3.531 1.217 1.00 0.00 C ATOM 256 CD2 PHE A 15 -21.051 -3.697 3.196 1.00 0.00 C ATOM 257 CE1 PHE A 15 -21.511 -2.662 0.636 1.00 0.00 C ATOM 258 CE2 PHE A 15 -20.119 -2.830 2.615 1.00 0.00 C ATOM 259 CZ PHE A 15 -20.349 -2.310 1.334 1.00 0.00 C ATOM 0 H PHE A 15 -23.158 -4.114 5.587 1.00 0.00 H new ATOM 0 HA PHE A 15 -24.644 -3.361 3.089 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -22.745 -5.616 3.865 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -23.663 -5.628 2.372 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -23.336 -3.802 0.677 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -20.875 -4.095 4.184 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -21.689 -2.262 -0.351 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -19.222 -2.561 3.154 1.00 0.00 H new ATOM 0 HZ PHE A 15 -19.631 -1.639 0.886 1.00 0.00 H new ATOM 269 N ASN A 16 -25.836 -5.045 5.437 1.00 0.00 N ATOM 270 CA ASN A 16 -27.001 -5.853 5.899 1.00 0.00 C ATOM 271 C ASN A 16 -26.814 -7.311 5.475 1.00 0.00 C ATOM 272 O ASN A 16 -27.737 -7.975 5.043 1.00 0.00 O ATOM 273 CB ASN A 16 -28.285 -5.285 5.286 1.00 0.00 C ATOM 274 CG ASN A 16 -29.502 -5.856 6.017 1.00 0.00 C ATOM 275 OD1 ASN A 16 -29.414 -6.221 7.173 1.00 0.00 O ATOM 276 ND2 ASN A 16 -30.641 -5.942 5.389 1.00 0.00 N ATOM 0 H ASN A 16 -25.331 -4.556 6.176 1.00 0.00 H new ATOM 0 HA ASN A 16 -27.073 -5.809 6.986 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -28.283 -4.197 5.357 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -28.335 -5.535 4.226 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -31.460 -6.316 5.868 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -30.713 -5.635 4.419 1.00 0.00 H new ATOM 283 N LEU A 17 -25.614 -7.813 5.598 1.00 0.00 N ATOM 284 CA LEU A 17 -25.343 -9.228 5.205 1.00 0.00 C ATOM 285 C LEU A 17 -25.471 -10.135 6.436 1.00 0.00 C ATOM 286 O LEU A 17 -25.178 -9.724 7.541 1.00 0.00 O ATOM 287 CB LEU A 17 -23.923 -9.330 4.641 1.00 0.00 C ATOM 288 CG LEU A 17 -23.770 -8.360 3.464 1.00 0.00 C ATOM 289 CD1 LEU A 17 -22.286 -8.177 3.142 1.00 0.00 C ATOM 290 CD2 LEU A 17 -24.498 -8.907 2.227 1.00 0.00 C ATOM 0 H LEU A 17 -24.806 -7.302 5.955 1.00 0.00 H new ATOM 0 HA LEU A 17 -26.062 -9.543 4.448 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -23.194 -9.095 5.417 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -23.723 -10.350 4.314 1.00 0.00 H new ATOM 0 HG LEU A 17 -24.208 -7.400 3.738 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -22.178 -7.487 2.305 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -21.772 -7.773 4.014 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -21.850 -9.140 2.877 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -24.382 -8.209 1.398 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -24.072 -9.872 1.951 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -25.557 -9.029 2.453 1.00 0.00 H new ATOM 302 N PRO A 18 -25.910 -11.357 6.254 1.00 0.00 N ATOM 303 CA PRO A 18 -26.082 -12.322 7.379 1.00 0.00 C ATOM 304 C PRO A 18 -24.749 -12.719 8.034 1.00 0.00 C ATOM 305 O PRO A 18 -23.734 -12.871 7.382 1.00 0.00 O ATOM 306 CB PRO A 18 -26.767 -13.537 6.720 1.00 0.00 C ATOM 307 CG PRO A 18 -26.410 -13.448 5.271 1.00 0.00 C ATOM 308 CD PRO A 18 -26.289 -11.958 4.961 1.00 0.00 C ATOM 0 HA PRO A 18 -26.663 -11.891 8.194 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -26.415 -14.472 7.156 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -27.847 -13.506 6.862 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -25.473 -13.967 5.067 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -27.175 -13.915 4.651 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -25.536 -11.769 4.196 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -27.229 -11.549 4.590 1.00 0.00 H new ATOM 316 N ARG A 19 -24.766 -12.898 9.325 1.00 0.00 N ATOM 317 CA ARG A 19 -23.531 -13.305 10.051 1.00 0.00 C ATOM 318 C ARG A 19 -23.336 -14.818 9.898 1.00 0.00 C ATOM 319 O ARG A 19 -22.317 -15.368 10.268 1.00 0.00 O ATOM 320 CB ARG A 19 -23.686 -12.958 11.532 1.00 0.00 C ATOM 321 CG ARG A 19 -23.621 -11.439 11.722 1.00 0.00 C ATOM 322 CD ARG A 19 -23.843 -11.102 13.199 1.00 0.00 C ATOM 323 NE ARG A 19 -23.695 -9.631 13.407 1.00 0.00 N ATOM 324 CZ ARG A 19 -24.714 -8.827 13.254 1.00 0.00 C ATOM 325 NH1 ARG A 19 -25.876 -9.297 12.896 1.00 0.00 N ATOM 326 NH2 ARG A 19 -24.564 -7.546 13.456 1.00 0.00 N ATOM 0 H ARG A 19 -25.590 -12.779 9.914 1.00 0.00 H new ATOM 0 HA ARG A 19 -22.667 -12.782 9.641 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -24.636 -13.340 11.906 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -22.898 -13.440 12.112 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -22.653 -11.061 11.393 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -24.379 -10.952 11.108 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -24.836 -11.425 13.510 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -23.124 -11.641 13.817 1.00 0.00 H new ATOM 0 HE ARG A 19 -22.787 -9.249 13.672 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -25.994 -10.297 12.734 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -26.668 -8.665 12.778 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -23.654 -7.176 13.732 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -25.356 -6.915 13.338 1.00 0.00 H new ATOM 340 N ASP A 20 -24.312 -15.495 9.356 1.00 0.00 N ATOM 341 CA ASP A 20 -24.192 -16.969 9.180 1.00 0.00 C ATOM 342 C ASP A 20 -23.363 -17.266 7.925 1.00 0.00 C ATOM 343 O ASP A 20 -23.171 -18.406 7.547 1.00 0.00 O ATOM 344 CB ASP A 20 -25.591 -17.577 9.025 1.00 0.00 C ATOM 345 CG ASP A 20 -26.341 -17.498 10.357 1.00 0.00 C ATOM 346 OD1 ASP A 20 -25.699 -17.243 11.361 1.00 0.00 O ATOM 347 OD2 ASP A 20 -27.546 -17.693 10.349 1.00 0.00 O ATOM 0 H ASP A 20 -25.188 -15.089 9.027 1.00 0.00 H new ATOM 0 HA ASP A 20 -23.701 -17.403 10.051 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -26.146 -17.044 8.253 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -25.513 -18.615 8.702 1.00 0.00 H new ATOM 352 N GLU A 21 -22.873 -16.245 7.271 1.00 0.00 N ATOM 353 CA GLU A 21 -22.065 -16.474 6.036 1.00 0.00 C ATOM 354 C GLU A 21 -20.617 -16.788 6.415 1.00 0.00 C ATOM 355 O GLU A 21 -19.937 -16.000 7.047 1.00 0.00 O ATOM 356 CB GLU A 21 -22.108 -15.220 5.156 1.00 0.00 C ATOM 357 CG GLU A 21 -21.406 -15.489 3.818 1.00 0.00 C ATOM 358 CD GLU A 21 -22.228 -16.487 3.000 1.00 0.00 C ATOM 359 OE1 GLU A 21 -23.348 -16.769 3.396 1.00 0.00 O ATOM 360 OE2 GLU A 21 -21.724 -16.956 1.994 1.00 0.00 O ATOM 0 H GLU A 21 -22.996 -15.268 7.536 1.00 0.00 H new ATOM 0 HA GLU A 21 -22.481 -17.318 5.485 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -23.143 -14.925 4.980 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -21.623 -14.390 5.669 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -21.289 -14.558 3.263 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -20.405 -15.884 3.993 1.00 0.00 H new ATOM 367 N LYS A 22 -20.140 -17.939 6.024 1.00 0.00 N ATOM 368 CA LYS A 22 -18.739 -18.324 6.346 1.00 0.00 C ATOM 369 C LYS A 22 -17.768 -17.516 5.486 1.00 0.00 C ATOM 370 O LYS A 22 -17.939 -17.383 4.288 1.00 0.00 O ATOM 371 CB LYS A 22 -18.547 -19.813 6.062 1.00 0.00 C ATOM 372 CG LYS A 22 -17.129 -20.235 6.454 1.00 0.00 C ATOM 373 CD LYS A 22 -16.975 -21.745 6.270 1.00 0.00 C ATOM 374 CE LYS A 22 -15.567 -22.170 6.691 1.00 0.00 C ATOM 375 NZ LYS A 22 -14.570 -21.602 5.741 1.00 0.00 N ATOM 0 H LYS A 22 -20.666 -18.632 5.492 1.00 0.00 H new ATOM 0 HA LYS A 22 -18.542 -18.120 7.399 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -19.278 -20.397 6.621 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -18.718 -20.016 5.005 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -16.399 -19.707 5.841 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -16.931 -19.963 7.491 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -17.719 -22.272 6.867 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -17.152 -22.015 5.229 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -15.359 -21.823 7.703 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -15.493 -23.257 6.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -13.667 -22.108 5.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -14.919 -21.708 4.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -14.427 -20.593 5.950 1.00 0.00 H new ATOM 389 N TRP A 23 -16.742 -16.983 6.093 1.00 0.00 N ATOM 390 CA TRP A 23 -15.737 -16.182 5.336 1.00 0.00 C ATOM 391 C TRP A 23 -14.502 -17.040 5.082 1.00 0.00 C ATOM 392 O TRP A 23 -14.164 -17.913 5.860 1.00 0.00 O ATOM 393 CB TRP A 23 -15.351 -14.946 6.155 1.00 0.00 C ATOM 394 CG TRP A 23 -16.387 -13.882 5.980 1.00 0.00 C ATOM 395 CD1 TRP A 23 -16.657 -13.251 4.813 1.00 0.00 C ATOM 396 CD2 TRP A 23 -17.292 -13.318 6.969 1.00 0.00 C ATOM 397 NE1 TRP A 23 -17.666 -12.332 5.027 1.00 0.00 N ATOM 398 CE2 TRP A 23 -18.093 -12.337 6.339 1.00 0.00 C ATOM 399 CE3 TRP A 23 -17.496 -13.562 8.337 1.00 0.00 C ATOM 400 CZ2 TRP A 23 -19.058 -11.618 7.044 1.00 0.00 C ATOM 401 CZ3 TRP A 23 -18.466 -12.841 9.051 1.00 0.00 C ATOM 402 CH2 TRP A 23 -19.248 -11.872 8.405 1.00 0.00 C ATOM 0 H TRP A 23 -16.555 -17.069 7.092 1.00 0.00 H new ATOM 0 HA TRP A 23 -16.159 -15.863 4.383 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -15.261 -15.210 7.209 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -14.377 -14.575 5.835 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -16.164 -13.436 3.870 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -18.049 -11.724 4.303 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -16.903 -14.309 8.843 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -19.654 -10.870 6.542 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -18.611 -13.033 10.104 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -19.996 -11.323 8.958 1.00 0.00 H new ATOM 413 N GLU A 24 -13.827 -16.795 3.990 1.00 0.00 N ATOM 414 CA GLU A 24 -12.607 -17.582 3.654 1.00 0.00 C ATOM 415 C GLU A 24 -11.385 -16.686 3.817 1.00 0.00 C ATOM 416 O GLU A 24 -11.295 -15.621 3.234 1.00 0.00 O ATOM 417 CB GLU A 24 -12.706 -18.065 2.209 1.00 0.00 C ATOM 418 CG GLU A 24 -11.537 -18.998 1.889 1.00 0.00 C ATOM 419 CD GLU A 24 -11.691 -20.303 2.676 1.00 0.00 C ATOM 420 OE1 GLU A 24 -12.736 -20.494 3.276 1.00 0.00 O ATOM 421 OE2 GLU A 24 -10.762 -21.094 2.657 1.00 0.00 O ATOM 0 H GLU A 24 -14.073 -16.075 3.310 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.519 -18.444 4.316 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -13.651 -18.586 2.055 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -12.698 -17.212 1.530 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -11.508 -19.208 0.820 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -10.593 -18.516 2.145 1.00 0.00 H new ATOM 428 N CYS A 25 -10.451 -17.113 4.620 1.00 0.00 N ATOM 429 CA CYS A 25 -9.226 -16.303 4.857 1.00 0.00 C ATOM 430 C CYS A 25 -8.238 -16.487 3.706 1.00 0.00 C ATOM 431 O CYS A 25 -7.980 -17.588 3.258 1.00 0.00 O ATOM 432 CB CYS A 25 -8.569 -16.753 6.162 1.00 0.00 C ATOM 433 SG CYS A 25 -7.144 -15.694 6.520 1.00 0.00 S ATOM 0 H CYS A 25 -10.485 -17.998 5.127 1.00 0.00 H new ATOM 0 HA CYS A 25 -9.503 -15.251 4.922 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -9.288 -16.702 6.980 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -8.251 -17.793 6.082 1.00 0.00 H new ATOM 0 HG CYS A 25 -7.557 -14.556 6.993 1.00 0.00 H new ATOM 439 N GLU A 26 -7.673 -15.408 3.234 1.00 0.00 N ATOM 440 CA GLU A 26 -6.682 -15.486 2.122 1.00 0.00 C ATOM 441 C GLU A 26 -5.475 -14.628 2.494 1.00 0.00 C ATOM 442 O GLU A 26 -5.516 -13.414 2.419 1.00 0.00 O ATOM 443 CB GLU A 26 -7.321 -14.964 0.837 1.00 0.00 C ATOM 444 CG GLU A 26 -6.318 -15.074 -0.309 1.00 0.00 C ATOM 445 CD GLU A 26 -6.978 -14.638 -1.617 1.00 0.00 C ATOM 446 OE1 GLU A 26 -8.045 -14.050 -1.553 1.00 0.00 O ATOM 447 OE2 GLU A 26 -6.407 -14.902 -2.662 1.00 0.00 O ATOM 0 H GLU A 26 -7.858 -14.465 3.576 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.367 -16.517 1.963 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -8.219 -15.537 0.605 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.630 -13.927 0.967 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.448 -14.450 -0.104 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.961 -16.100 -0.395 1.00 0.00 H new ATOM 454 N SER A 27 -4.403 -15.252 2.913 1.00 0.00 N ATOM 455 CA SER A 27 -3.188 -14.482 3.316 1.00 0.00 C ATOM 456 C SER A 27 -2.173 -14.469 2.179 1.00 0.00 C ATOM 457 O SER A 27 -1.744 -15.498 1.692 1.00 0.00 O ATOM 458 CB SER A 27 -2.564 -15.127 4.553 1.00 0.00 C ATOM 459 OG SER A 27 -2.486 -16.531 4.359 1.00 0.00 O ATOM 0 H SER A 27 -4.317 -16.265 2.993 1.00 0.00 H new ATOM 0 HA SER A 27 -3.476 -13.456 3.544 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.570 -14.717 4.729 1.00 0.00 H new ATOM 0 HB3 SER A 27 -3.163 -14.903 5.436 1.00 0.00 H new ATOM 0 HG SER A 27 -2.191 -16.719 3.444 1.00 0.00 H new ATOM 465 N ILE A 28 -1.778 -13.298 1.758 1.00 0.00 N ATOM 466 CA ILE A 28 -0.780 -13.180 0.659 1.00 0.00 C ATOM 467 C ILE A 28 0.123 -11.980 0.945 1.00 0.00 C ATOM 468 O ILE A 28 -0.338 -10.910 1.295 1.00 0.00 O ATOM 469 CB ILE A 28 -1.496 -12.984 -0.678 1.00 0.00 C ATOM 470 CG1 ILE A 28 -0.459 -12.954 -1.802 1.00 0.00 C ATOM 471 CG2 ILE A 28 -2.274 -11.667 -0.663 1.00 0.00 C ATOM 472 CD1 ILE A 28 -1.168 -13.070 -3.150 1.00 0.00 C ATOM 0 H ILE A 28 -2.109 -12.409 2.134 1.00 0.00 H new ATOM 0 HA ILE A 28 -0.182 -14.090 0.604 1.00 0.00 H new ATOM 0 HB ILE A 28 -2.193 -13.806 -0.841 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.114 -12.028 -1.759 1.00 0.00 H new ATOM 0 HG13 ILE A 28 0.250 -13.773 -1.680 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.782 -11.533 -1.618 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.011 -11.689 0.140 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.584 -10.839 -0.500 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -0.430 -13.049 -3.952 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -1.721 -14.008 -3.191 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -1.859 -12.236 -3.271 1.00 0.00 H new ATOM 484 N GLU A 29 1.411 -12.152 0.810 1.00 0.00 N ATOM 485 CA GLU A 29 2.348 -11.026 1.087 1.00 0.00 C ATOM 486 C GLU A 29 2.572 -10.214 -0.187 1.00 0.00 C ATOM 487 O GLU A 29 2.893 -10.747 -1.231 1.00 0.00 O ATOM 488 CB GLU A 29 3.682 -11.585 1.583 1.00 0.00 C ATOM 489 CG GLU A 29 4.621 -10.426 1.925 1.00 0.00 C ATOM 490 CD GLU A 29 5.924 -10.971 2.512 1.00 0.00 C ATOM 491 OE1 GLU A 29 6.149 -12.165 2.402 1.00 0.00 O ATOM 492 OE2 GLU A 29 6.678 -10.183 3.059 1.00 0.00 O ATOM 0 H GLU A 29 1.854 -13.024 0.520 1.00 0.00 H new ATOM 0 HA GLU A 29 1.919 -10.378 1.851 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.523 -12.211 2.461 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.131 -12.218 0.818 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.831 -9.840 1.030 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.142 -9.756 2.639 1.00 0.00 H new ATOM 499 N GLU A 30 2.409 -8.920 -0.106 1.00 0.00 N ATOM 500 CA GLU A 30 2.615 -8.071 -1.312 1.00 0.00 C ATOM 501 C GLU A 30 2.923 -6.634 -0.889 1.00 0.00 C ATOM 502 O GLU A 30 2.787 -6.263 0.263 1.00 0.00 O ATOM 503 CB GLU A 30 1.351 -8.085 -2.178 1.00 0.00 C ATOM 504 CG GLU A 30 0.135 -7.782 -1.307 1.00 0.00 C ATOM 505 CD GLU A 30 -1.124 -7.770 -2.173 1.00 0.00 C ATOM 506 OE1 GLU A 30 -0.988 -7.839 -3.383 1.00 0.00 O ATOM 507 OE2 GLU A 30 -2.206 -7.692 -1.612 1.00 0.00 O ATOM 0 H GLU A 30 2.143 -8.417 0.741 1.00 0.00 H new ATOM 0 HA GLU A 30 3.453 -8.467 -1.885 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.435 -7.346 -2.974 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.236 -9.057 -2.657 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.041 -8.532 -0.522 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.259 -6.818 -0.814 1.00 0.00 H new ATOM 514 N VAL A 31 3.344 -5.825 -1.822 1.00 0.00 N ATOM 515 CA VAL A 31 3.673 -4.410 -1.502 1.00 0.00 C ATOM 516 C VAL A 31 2.400 -3.639 -1.138 1.00 0.00 C ATOM 517 O VAL A 31 1.376 -3.751 -1.785 1.00 0.00 O ATOM 518 CB VAL A 31 4.340 -3.762 -2.715 1.00 0.00 C ATOM 519 CG1 VAL A 31 4.552 -2.269 -2.453 1.00 0.00 C ATOM 520 CG2 VAL A 31 5.696 -4.429 -2.956 1.00 0.00 C ATOM 0 H VAL A 31 3.475 -6.087 -2.799 1.00 0.00 H new ATOM 0 HA VAL A 31 4.353 -4.383 -0.650 1.00 0.00 H new ATOM 0 HB VAL A 31 3.702 -3.887 -3.590 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.028 -1.811 -3.320 1.00 0.00 H new ATOM 0 HG12 VAL A 31 3.589 -1.791 -2.273 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.190 -2.140 -1.579 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.178 -3.972 -3.820 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.327 -4.298 -2.077 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.550 -5.493 -3.143 1.00 0.00 H new ATOM 530 N ALA A 32 2.468 -2.855 -0.101 1.00 0.00 N ATOM 531 CA ALA A 32 1.282 -2.063 0.331 1.00 0.00 C ATOM 532 C ALA A 32 0.784 -1.191 -0.829 1.00 0.00 C ATOM 533 O ALA A 32 -0.393 -1.140 -1.122 1.00 0.00 O ATOM 534 CB ALA A 32 1.703 -1.157 1.487 1.00 0.00 C ATOM 0 H ALA A 32 3.302 -2.727 0.472 1.00 0.00 H new ATOM 0 HA ALA A 32 0.483 -2.737 0.641 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.848 -0.568 1.818 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.065 -1.767 2.314 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.497 -0.488 1.155 1.00 0.00 H new ATOM 540 N ASP A 33 1.674 -0.502 -1.483 1.00 0.00 N ATOM 541 CA ASP A 33 1.261 0.381 -2.616 1.00 0.00 C ATOM 542 C ASP A 33 0.512 -0.435 -3.679 1.00 0.00 C ATOM 543 O ASP A 33 -0.124 0.109 -4.561 1.00 0.00 O ATOM 544 CB ASP A 33 2.521 0.988 -3.238 1.00 0.00 C ATOM 545 CG ASP A 33 2.144 2.119 -4.196 1.00 0.00 C ATOM 546 OD1 ASP A 33 0.963 2.284 -4.451 1.00 0.00 O ATOM 547 OD2 ASP A 33 3.044 2.801 -4.657 1.00 0.00 O ATOM 0 H ASP A 33 2.674 -0.510 -1.284 1.00 0.00 H new ATOM 0 HA ASP A 33 0.600 1.165 -2.248 1.00 0.00 H new ATOM 0 HB2 ASP A 33 3.175 1.369 -2.454 1.00 0.00 H new ATOM 0 HB3 ASP A 33 3.078 0.219 -3.773 1.00 0.00 H new ATOM 552 N ASP A 34 0.584 -1.733 -3.602 1.00 0.00 N ATOM 553 CA ASP A 34 -0.121 -2.585 -4.609 1.00 0.00 C ATOM 554 C ASP A 34 -1.643 -2.443 -4.465 1.00 0.00 C ATOM 555 O ASP A 34 -2.366 -2.416 -5.442 1.00 0.00 O ATOM 556 CB ASP A 34 0.271 -4.045 -4.391 1.00 0.00 C ATOM 557 CG ASP A 34 -0.237 -4.895 -5.558 1.00 0.00 C ATOM 558 OD1 ASP A 34 -0.949 -4.360 -6.392 1.00 0.00 O ATOM 559 OD2 ASP A 34 0.100 -6.067 -5.600 1.00 0.00 O ATOM 0 H ASP A 34 1.100 -2.245 -2.886 1.00 0.00 H new ATOM 0 HA ASP A 34 0.168 -2.262 -5.609 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.354 -4.132 -4.309 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -0.150 -4.409 -3.453 1.00 0.00 H new ATOM 564 N ILE A 35 -2.134 -2.360 -3.252 1.00 0.00 N ATOM 565 CA ILE A 35 -3.611 -2.224 -3.027 1.00 0.00 C ATOM 566 C ILE A 35 -3.903 -0.888 -2.361 1.00 0.00 C ATOM 567 O ILE A 35 -5.043 -0.485 -2.231 1.00 0.00 O ATOM 568 CB ILE A 35 -4.101 -3.367 -2.132 1.00 0.00 C ATOM 569 CG1 ILE A 35 -3.304 -3.383 -0.820 1.00 0.00 C ATOM 570 CG2 ILE A 35 -3.908 -4.695 -2.863 1.00 0.00 C ATOM 571 CD1 ILE A 35 -3.932 -4.387 0.151 1.00 0.00 C ATOM 0 H ILE A 35 -1.572 -2.381 -2.401 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.130 -2.270 -3.984 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.157 -3.221 -1.905 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.266 -3.652 -1.017 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.296 -2.388 -0.375 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.255 -5.512 -2.231 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.480 -4.686 -3.791 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.851 -4.835 -3.090 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.365 -4.397 1.082 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.963 -4.098 0.357 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.916 -5.382 -0.294 1.00 0.00 H new ATOM 583 N LEU A 36 -2.881 -0.191 -1.935 1.00 0.00 N ATOM 584 CA LEU A 36 -3.103 1.129 -1.273 1.00 0.00 C ATOM 585 C LEU A 36 -2.752 2.259 -2.252 1.00 0.00 C ATOM 586 O LEU A 36 -1.611 2.402 -2.644 1.00 0.00 O ATOM 587 CB LEU A 36 -2.219 1.233 -0.023 1.00 0.00 C ATOM 588 CG LEU A 36 -2.907 0.498 1.150 1.00 0.00 C ATOM 589 CD1 LEU A 36 -1.858 0.014 2.150 1.00 0.00 C ATOM 590 CD2 LEU A 36 -3.898 1.444 1.857 1.00 0.00 C ATOM 0 H LEU A 36 -1.906 -0.478 -2.017 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.149 1.217 -0.981 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.240 0.795 -0.218 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.054 2.279 0.234 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.451 -0.361 0.756 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.351 -0.503 2.973 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.170 -0.670 1.653 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.304 0.869 2.538 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.378 0.918 2.682 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.361 2.311 2.243 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.656 1.773 1.147 1.00 0.00 H new ATOM 602 N PRO A 37 -3.710 3.071 -2.638 1.00 0.00 N ATOM 603 CA PRO A 37 -3.456 4.200 -3.576 1.00 0.00 C ATOM 604 C PRO A 37 -2.257 5.062 -3.140 1.00 0.00 C ATOM 605 O PRO A 37 -2.048 5.331 -1.973 1.00 0.00 O ATOM 606 CB PRO A 37 -4.765 5.010 -3.525 1.00 0.00 C ATOM 607 CG PRO A 37 -5.819 4.020 -3.147 1.00 0.00 C ATOM 608 CD PRO A 37 -5.133 2.995 -2.251 1.00 0.00 C ATOM 0 HA PRO A 37 -3.200 3.853 -4.577 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -4.702 5.817 -2.795 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -4.983 5.469 -4.489 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -6.642 4.507 -2.623 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -6.242 3.544 -4.032 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.272 3.232 -1.196 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -5.536 1.995 -2.409 1.00 0.00 H new ATOM 616 N ASP A 38 -1.468 5.484 -4.089 1.00 0.00 N ATOM 617 CA ASP A 38 -0.277 6.322 -3.772 1.00 0.00 C ATOM 618 C ASP A 38 -0.709 7.542 -2.948 1.00 0.00 C ATOM 619 O ASP A 38 0.105 8.291 -2.444 1.00 0.00 O ATOM 620 CB ASP A 38 0.360 6.780 -5.086 1.00 0.00 C ATOM 621 CG ASP A 38 1.772 7.307 -4.829 1.00 0.00 C ATOM 622 OD1 ASP A 38 2.530 6.616 -4.168 1.00 0.00 O ATOM 623 OD2 ASP A 38 2.073 8.389 -5.302 1.00 0.00 O ATOM 0 H ASP A 38 -1.599 5.282 -5.080 1.00 0.00 H new ATOM 0 HA ASP A 38 0.444 5.745 -3.193 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.396 5.949 -5.791 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.250 7.559 -5.543 1.00 0.00 H new ATOM 628 N GLN A 39 -1.989 7.747 -2.813 1.00 0.00 N ATOM 629 CA GLN A 39 -2.483 8.918 -2.028 1.00 0.00 C ATOM 630 C GLN A 39 -2.041 8.795 -0.570 1.00 0.00 C ATOM 631 O GLN A 39 -1.590 9.749 0.037 1.00 0.00 O ATOM 632 CB GLN A 39 -4.011 8.951 -2.088 1.00 0.00 C ATOM 633 CG GLN A 39 -4.534 10.203 -1.379 1.00 0.00 C ATOM 634 CD GLN A 39 -6.063 10.234 -1.444 1.00 0.00 C ATOM 635 OE1 GLN A 39 -6.715 9.232 -1.217 1.00 0.00 O ATOM 636 NE2 GLN A 39 -6.666 11.351 -1.745 1.00 0.00 N ATOM 0 H GLN A 39 -2.717 7.155 -3.212 1.00 0.00 H new ATOM 0 HA GLN A 39 -2.071 9.834 -2.451 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -4.343 8.945 -3.126 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -4.421 8.058 -1.617 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -4.205 10.208 -0.340 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -4.123 11.097 -1.848 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -6.119 12.191 -1.935 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -7.684 11.385 -1.790 1.00 0.00 H new ATOM 645 N TYR A 40 -2.170 7.630 0.001 1.00 0.00 N ATOM 646 CA TYR A 40 -1.762 7.435 1.425 1.00 0.00 C ATOM 647 C TYR A 40 -0.410 6.721 1.469 1.00 0.00 C ATOM 648 O TYR A 40 0.172 6.550 2.524 1.00 0.00 O ATOM 649 CB TYR A 40 -2.815 6.583 2.142 1.00 0.00 C ATOM 650 CG TYR A 40 -2.307 6.197 3.513 1.00 0.00 C ATOM 651 CD1 TYR A 40 -2.121 7.181 4.489 1.00 0.00 C ATOM 652 CD2 TYR A 40 -2.010 4.859 3.803 1.00 0.00 C ATOM 653 CE1 TYR A 40 -1.641 6.831 5.754 1.00 0.00 C ATOM 654 CE2 TYR A 40 -1.527 4.508 5.069 1.00 0.00 C ATOM 655 CZ TYR A 40 -1.343 5.494 6.046 1.00 0.00 C ATOM 656 OH TYR A 40 -0.871 5.149 7.295 1.00 0.00 O ATOM 0 H TYR A 40 -2.542 6.799 -0.458 1.00 0.00 H new ATOM 0 HA TYR A 40 -1.679 8.403 1.920 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -3.748 7.139 2.232 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -3.033 5.688 1.558 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -2.349 8.213 4.265 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -2.154 4.098 3.050 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -1.500 7.592 6.507 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -1.296 3.477 5.292 1.00 0.00 H new ATOM 0 HH TYR A 40 -0.941 4.179 7.415 1.00 0.00 H new ATOM 666 N VAL A 41 0.096 6.304 0.333 1.00 0.00 N ATOM 667 CA VAL A 41 1.410 5.599 0.302 1.00 0.00 C ATOM 668 C VAL A 41 2.362 6.344 -0.633 1.00 0.00 C ATOM 669 O VAL A 41 2.056 6.627 -1.775 1.00 0.00 O ATOM 670 CB VAL A 41 1.203 4.163 -0.189 1.00 0.00 C ATOM 671 CG1 VAL A 41 2.561 3.509 -0.478 1.00 0.00 C ATOM 672 CG2 VAL A 41 0.476 3.364 0.898 1.00 0.00 C ATOM 0 H VAL A 41 -0.349 6.424 -0.577 1.00 0.00 H new ATOM 0 HA VAL A 41 1.842 5.574 1.303 1.00 0.00 H new ATOM 0 HB VAL A 41 0.610 4.174 -1.104 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.406 2.488 -0.827 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.084 4.079 -1.246 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.159 3.494 0.433 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.324 2.340 0.557 1.00 0.00 H new ATOM 0 HG22 VAL A 41 1.076 3.358 1.808 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.490 3.825 1.103 1.00 0.00 H new ATOM 682 N ARG A 42 3.519 6.658 -0.138 1.00 0.00 N ATOM 683 CA ARG A 42 4.535 7.386 -0.957 1.00 0.00 C ATOM 684 C ARG A 42 5.931 7.113 -0.379 1.00 0.00 C ATOM 685 O ARG A 42 6.438 6.009 -0.446 1.00 0.00 O ATOM 686 CB ARG A 42 4.241 8.895 -0.926 1.00 0.00 C ATOM 687 CG ARG A 42 3.812 9.317 0.483 1.00 0.00 C ATOM 688 CD ARG A 42 3.618 10.836 0.526 1.00 0.00 C ATOM 689 NE ARG A 42 2.463 11.209 -0.340 1.00 0.00 N ATOM 690 CZ ARG A 42 2.163 12.464 -0.540 1.00 0.00 C ATOM 691 NH1 ARG A 42 2.868 13.407 0.022 1.00 0.00 N ATOM 692 NH2 ARG A 42 1.153 12.776 -1.304 1.00 0.00 N ATOM 0 H ARG A 42 3.815 6.441 0.814 1.00 0.00 H new ATOM 0 HA ARG A 42 4.493 7.040 -1.990 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.128 9.453 -1.227 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.455 9.135 -1.642 1.00 0.00 H new ATOM 0 HG2 ARG A 42 2.885 8.814 0.758 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.566 9.016 1.210 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.440 11.163 1.551 1.00 0.00 H new ATOM 0 HD3 ARG A 42 4.522 11.340 0.183 1.00 0.00 H new ATOM 0 HE ARG A 42 1.903 10.478 -0.779 1.00 0.00 H new ATOM 0 HH11 ARG A 42 3.658 13.165 0.621 1.00 0.00 H new ATOM 0 HH12 ARG A 42 2.630 14.386 -0.137 1.00 0.00 H new ATOM 0 HH21 ARG A 42 0.600 12.040 -1.744 1.00 0.00 H new ATOM 0 HH22 ARG A 42 0.916 13.756 -1.462 1.00 0.00 H new ATOM 706 N LEU A 43 6.550 8.112 0.195 1.00 0.00 N ATOM 707 CA LEU A 43 7.907 7.933 0.800 1.00 0.00 C ATOM 708 C LEU A 43 7.740 7.724 2.309 1.00 0.00 C ATOM 709 O LEU A 43 8.698 7.672 3.058 1.00 0.00 O ATOM 710 CB LEU A 43 8.746 9.190 0.542 1.00 0.00 C ATOM 711 CG LEU A 43 9.290 9.163 -0.890 1.00 0.00 C ATOM 712 CD1 LEU A 43 8.127 9.229 -1.886 1.00 0.00 C ATOM 713 CD2 LEU A 43 10.215 10.363 -1.103 1.00 0.00 C ATOM 0 H LEU A 43 6.170 9.055 0.272 1.00 0.00 H new ATOM 0 HA LEU A 43 8.409 7.072 0.358 1.00 0.00 H new ATOM 0 HB2 LEU A 43 8.138 10.082 0.694 1.00 0.00 H new ATOM 0 HB3 LEU A 43 9.570 9.241 1.253 1.00 0.00 H new ATOM 0 HG LEU A 43 9.847 8.239 -1.049 1.00 0.00 H new ATOM 0 HD11 LEU A 43 8.518 9.210 -2.903 1.00 0.00 H new ATOM 0 HD12 LEU A 43 7.469 8.374 -1.734 1.00 0.00 H new ATOM 0 HD13 LEU A 43 7.566 10.151 -1.730 1.00 0.00 H new ATOM 0 HD21 LEU A 43 10.604 10.347 -2.121 1.00 0.00 H new ATOM 0 HD22 LEU A 43 9.657 11.286 -0.942 1.00 0.00 H new ATOM 0 HD23 LEU A 43 11.044 10.313 -0.397 1.00 0.00 H new ATOM 725 N GLY A 44 6.522 7.615 2.758 1.00 0.00 N ATOM 726 CA GLY A 44 6.281 7.424 4.214 1.00 0.00 C ATOM 727 C GLY A 44 6.863 6.082 4.676 1.00 0.00 C ATOM 728 O GLY A 44 7.488 5.372 3.917 1.00 0.00 O ATOM 0 H GLY A 44 5.683 7.650 2.179 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.737 8.239 4.776 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.211 7.455 4.420 1.00 0.00 H new ATOM 732 N PRO A 45 6.647 5.738 5.921 1.00 0.00 N ATOM 733 CA PRO A 45 7.143 4.453 6.509 1.00 0.00 C ATOM 734 C PRO A 45 6.614 3.236 5.736 1.00 0.00 C ATOM 735 O PRO A 45 7.253 2.208 5.647 1.00 0.00 O ATOM 736 CB PRO A 45 6.584 4.472 7.945 1.00 0.00 C ATOM 737 CG PRO A 45 6.338 5.914 8.241 1.00 0.00 C ATOM 738 CD PRO A 45 5.903 6.531 6.916 1.00 0.00 C ATOM 0 HA PRO A 45 8.229 4.372 6.471 1.00 0.00 H new ATOM 0 HB2 PRO A 45 5.665 3.891 8.019 1.00 0.00 H new ATOM 0 HB3 PRO A 45 7.293 4.039 8.651 1.00 0.00 H new ATOM 0 HG2 PRO A 45 5.566 6.033 9.002 1.00 0.00 H new ATOM 0 HG3 PRO A 45 7.238 6.396 8.622 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.826 6.454 6.769 1.00 0.00 H new ATOM 0 HD3 PRO A 45 6.158 7.589 6.861 1.00 0.00 H new ATOM 746 N LEU A 46 5.439 3.360 5.187 1.00 0.00 N ATOM 747 CA LEU A 46 4.838 2.232 4.423 1.00 0.00 C ATOM 748 C LEU A 46 5.390 2.238 2.992 1.00 0.00 C ATOM 749 O LEU A 46 5.035 1.413 2.171 1.00 0.00 O ATOM 750 CB LEU A 46 3.316 2.415 4.384 1.00 0.00 C ATOM 751 CG LEU A 46 2.761 2.505 5.814 1.00 0.00 C ATOM 752 CD1 LEU A 46 1.248 2.751 5.759 1.00 0.00 C ATOM 753 CD2 LEU A 46 3.043 1.197 6.574 1.00 0.00 C ATOM 0 H LEU A 46 4.864 4.201 5.235 1.00 0.00 H new ATOM 0 HA LEU A 46 5.084 1.284 4.902 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.064 3.319 3.830 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.854 1.580 3.858 1.00 0.00 H new ATOM 0 HG LEU A 46 3.248 3.329 6.335 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.853 2.815 6.773 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.050 3.685 5.233 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.765 1.928 5.232 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.646 1.271 7.586 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.565 0.365 6.057 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.119 1.027 6.618 1.00 0.00 H new ATOM 765 N SER A 47 6.249 3.170 2.687 1.00 0.00 N ATOM 766 CA SER A 47 6.812 3.244 1.308 1.00 0.00 C ATOM 767 C SER A 47 7.491 1.928 0.933 1.00 0.00 C ATOM 768 O SER A 47 8.245 1.364 1.702 1.00 0.00 O ATOM 769 CB SER A 47 7.831 4.375 1.239 1.00 0.00 C ATOM 770 OG SER A 47 8.936 4.066 2.075 1.00 0.00 O ATOM 0 H SER A 47 6.586 3.884 3.332 1.00 0.00 H new ATOM 0 HA SER A 47 5.998 3.431 0.607 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.166 4.515 0.211 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.373 5.312 1.555 1.00 0.00 H new ATOM 0 HG SER A 47 8.784 4.438 2.969 1.00 0.00 H new ATOM 776 N ASN A 48 7.222 1.450 -0.259 1.00 0.00 N ATOM 777 CA ASN A 48 7.830 0.171 -0.740 1.00 0.00 C ATOM 778 C ASN A 48 7.871 -0.852 0.398 1.00 0.00 C ATOM 779 O ASN A 48 8.650 -1.785 0.389 1.00 0.00 O ATOM 780 CB ASN A 48 9.245 0.433 -1.270 1.00 0.00 C ATOM 781 CG ASN A 48 10.148 0.951 -0.147 1.00 0.00 C ATOM 782 OD1 ASN A 48 10.216 0.368 0.916 1.00 0.00 O ATOM 783 ND2 ASN A 48 10.856 2.030 -0.348 1.00 0.00 N ATOM 0 H ASN A 48 6.597 1.900 -0.928 1.00 0.00 H new ATOM 0 HA ASN A 48 7.220 -0.231 -1.549 1.00 0.00 H new ATOM 0 HB2 ASN A 48 9.661 -0.485 -1.685 1.00 0.00 H new ATOM 0 HB3 ASN A 48 9.208 1.161 -2.080 1.00 0.00 H new ATOM 0 HD21 ASN A 48 11.467 2.384 0.388 1.00 0.00 H new ATOM 0 HD22 ASN A 48 10.798 2.519 -1.241 1.00 0.00 H new ATOM 790 N LYS A 49 7.038 -0.679 1.387 1.00 0.00 N ATOM 791 CA LYS A 49 7.038 -1.633 2.528 1.00 0.00 C ATOM 792 C LYS A 49 6.177 -2.852 2.186 1.00 0.00 C ATOM 793 O LYS A 49 5.081 -2.733 1.669 1.00 0.00 O ATOM 794 CB LYS A 49 6.479 -0.945 3.776 1.00 0.00 C ATOM 795 CG LYS A 49 6.778 -1.797 5.024 1.00 0.00 C ATOM 796 CD LYS A 49 8.171 -1.462 5.569 1.00 0.00 C ATOM 797 CE LYS A 49 8.429 -2.269 6.839 1.00 0.00 C ATOM 798 NZ LYS A 49 9.781 -1.936 7.364 1.00 0.00 N ATOM 0 H LYS A 49 6.360 0.080 1.453 1.00 0.00 H new ATOM 0 HA LYS A 49 8.060 -1.958 2.721 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.923 0.044 3.886 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.403 -0.802 3.672 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.025 -1.611 5.790 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.722 -2.856 4.773 1.00 0.00 H new ATOM 0 HD2 LYS A 49 8.930 -1.689 4.821 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.243 -0.395 5.782 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.669 -2.044 7.588 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.361 -3.336 6.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.942 -2.445 8.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 10.502 -2.218 6.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.845 -0.912 7.533 1.00 0.00 H new ATOM 812 N ILE A 50 6.671 -4.028 2.473 1.00 0.00 N ATOM 813 CA ILE A 50 5.896 -5.266 2.170 1.00 0.00 C ATOM 814 C ILE A 50 4.995 -5.609 3.356 1.00 0.00 C ATOM 815 O ILE A 50 5.461 -5.967 4.420 1.00 0.00 O ATOM 816 CB ILE A 50 6.871 -6.412 1.918 1.00 0.00 C ATOM 817 CG1 ILE A 50 7.669 -6.121 0.646 1.00 0.00 C ATOM 818 CG2 ILE A 50 6.096 -7.717 1.747 1.00 0.00 C ATOM 819 CD1 ILE A 50 8.822 -7.118 0.524 1.00 0.00 C ATOM 0 H ILE A 50 7.581 -4.184 2.906 1.00 0.00 H new ATOM 0 HA ILE A 50 5.278 -5.108 1.286 1.00 0.00 H new ATOM 0 HB ILE A 50 7.551 -6.507 2.765 1.00 0.00 H new ATOM 0 HG12 ILE A 50 7.020 -6.192 -0.227 1.00 0.00 H new ATOM 0 HG13 ILE A 50 8.057 -5.103 0.673 1.00 0.00 H new ATOM 0 HG21 ILE A 50 6.795 -8.534 1.567 1.00 0.00 H new ATOM 0 HG22 ILE A 50 5.524 -7.921 2.652 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.416 -7.628 0.900 1.00 0.00 H new ATOM 0 HD11 ILE A 50 9.389 -6.909 -0.383 1.00 0.00 H new ATOM 0 HD12 ILE A 50 9.476 -7.025 1.391 1.00 0.00 H new ATOM 0 HD13 ILE A 50 8.423 -8.131 0.477 1.00 0.00 H new ATOM 831 N LEU A 51 3.700 -5.499 3.173 1.00 0.00 N ATOM 832 CA LEU A 51 2.737 -5.808 4.275 1.00 0.00 C ATOM 833 C LEU A 51 1.943 -7.069 3.936 1.00 0.00 C ATOM 834 O LEU A 51 1.660 -7.363 2.786 1.00 0.00 O ATOM 835 CB LEU A 51 1.779 -4.621 4.467 1.00 0.00 C ATOM 836 CG LEU A 51 2.444 -3.557 5.353 1.00 0.00 C ATOM 837 CD1 LEU A 51 3.707 -3.006 4.670 1.00 0.00 C ATOM 838 CD2 LEU A 51 1.449 -2.420 5.616 1.00 0.00 C ATOM 0 H LEU A 51 3.266 -5.205 2.298 1.00 0.00 H new ATOM 0 HA LEU A 51 3.290 -5.978 5.199 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.518 -4.191 3.500 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.850 -4.961 4.925 1.00 0.00 H new ATOM 0 HG LEU A 51 2.735 -4.011 6.300 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.167 -2.253 5.310 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.413 -3.819 4.500 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.437 -2.555 3.715 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.919 -1.664 6.245 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.151 -1.971 4.669 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.569 -2.817 6.122 1.00 0.00 H new ATOM 850 N GLN A 52 1.590 -7.813 4.946 1.00 0.00 N ATOM 851 CA GLN A 52 0.814 -9.055 4.726 1.00 0.00 C ATOM 852 C GLN A 52 -0.656 -8.694 4.523 1.00 0.00 C ATOM 853 O GLN A 52 -1.321 -8.213 5.420 1.00 0.00 O ATOM 854 CB GLN A 52 0.982 -9.963 5.943 1.00 0.00 C ATOM 855 CG GLN A 52 2.423 -10.476 5.976 1.00 0.00 C ATOM 856 CD GLN A 52 2.633 -11.355 7.209 1.00 0.00 C ATOM 857 OE1 GLN A 52 1.708 -11.614 7.953 1.00 0.00 O ATOM 858 NE2 GLN A 52 3.823 -11.832 7.455 1.00 0.00 N ATOM 0 H GLN A 52 1.810 -7.609 5.921 1.00 0.00 H new ATOM 0 HA GLN A 52 1.172 -9.579 3.840 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.755 -9.415 6.858 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.284 -10.799 5.890 1.00 0.00 H new ATOM 0 HG2 GLN A 52 2.636 -11.046 5.072 1.00 0.00 H new ATOM 0 HG3 GLN A 52 3.117 -9.636 5.995 1.00 0.00 H new ATOM 0 HE21 GLN A 52 4.599 -11.614 6.830 1.00 0.00 H new ATOM 0 HE22 GLN A 52 3.977 -12.423 8.272 1.00 0.00 H new ATOM 867 N THR A 53 -1.163 -8.910 3.340 1.00 0.00 N ATOM 868 CA THR A 53 -2.585 -8.569 3.055 1.00 0.00 C ATOM 869 C THR A 53 -3.463 -9.800 3.273 1.00 0.00 C ATOM 870 O THR A 53 -3.375 -10.778 2.554 1.00 0.00 O ATOM 871 CB THR A 53 -2.703 -8.107 1.603 1.00 0.00 C ATOM 872 OG1 THR A 53 -2.329 -9.173 0.742 1.00 0.00 O ATOM 873 CG2 THR A 53 -1.772 -6.916 1.377 1.00 0.00 C ATOM 0 H THR A 53 -0.650 -9.310 2.555 1.00 0.00 H new ATOM 0 HA THR A 53 -2.914 -7.774 3.724 1.00 0.00 H new ATOM 0 HB THR A 53 -3.730 -7.811 1.391 1.00 0.00 H new ATOM 0 HG1 THR A 53 -2.264 -8.843 -0.178 1.00 0.00 H new ATOM 0 HG21 THR A 53 -1.852 -6.583 0.342 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.055 -6.101 2.044 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.744 -7.214 1.583 1.00 0.00 H new ATOM 881 N ASN A 54 -4.323 -9.747 4.258 1.00 0.00 N ATOM 882 CA ASN A 54 -5.235 -10.891 4.541 1.00 0.00 C ATOM 883 C ASN A 54 -6.636 -10.502 4.090 1.00 0.00 C ATOM 884 O ASN A 54 -7.339 -9.766 4.754 1.00 0.00 O ATOM 885 CB ASN A 54 -5.225 -11.188 6.041 1.00 0.00 C ATOM 886 CG ASN A 54 -3.880 -11.817 6.418 1.00 0.00 C ATOM 887 OD1 ASN A 54 -3.167 -12.308 5.565 1.00 0.00 O ATOM 888 ND2 ASN A 54 -3.499 -11.821 7.663 1.00 0.00 N ATOM 0 H ASN A 54 -4.432 -8.949 4.884 1.00 0.00 H new ATOM 0 HA ASN A 54 -4.910 -11.784 4.008 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -5.383 -10.270 6.607 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -6.041 -11.864 6.296 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -2.604 -12.236 7.921 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -4.096 -11.409 8.380 1.00 0.00 H new ATOM 895 N THR A 55 -7.035 -10.976 2.941 1.00 0.00 N ATOM 896 CA THR A 55 -8.379 -10.624 2.404 1.00 0.00 C ATOM 897 C THR A 55 -9.384 -11.711 2.769 1.00 0.00 C ATOM 898 O THR A 55 -9.167 -12.883 2.522 1.00 0.00 O ATOM 899 CB THR A 55 -8.282 -10.503 0.883 1.00 0.00 C ATOM 900 OG1 THR A 55 -7.392 -9.446 0.554 1.00 0.00 O ATOM 901 CG2 THR A 55 -9.661 -10.210 0.293 1.00 0.00 C ATOM 0 H THR A 55 -6.483 -11.596 2.348 1.00 0.00 H new ATOM 0 HA THR A 55 -8.712 -9.679 2.833 1.00 0.00 H new ATOM 0 HB THR A 55 -7.911 -11.441 0.470 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.325 -9.366 -0.420 1.00 0.00 H new ATOM 0 HG21 THR A 55 -9.583 -10.125 -0.791 1.00 0.00 H new ATOM 0 HG22 THR A 55 -10.344 -11.021 0.545 1.00 0.00 H new ATOM 0 HG23 THR A 55 -10.041 -9.274 0.703 1.00 0.00 H new ATOM 909 N TYR A 56 -10.487 -11.325 3.359 1.00 0.00 N ATOM 910 CA TYR A 56 -11.528 -12.317 3.753 1.00 0.00 C ATOM 911 C TYR A 56 -12.759 -12.087 2.883 1.00 0.00 C ATOM 912 O TYR A 56 -13.282 -10.991 2.805 1.00 0.00 O ATOM 913 CB TYR A 56 -11.889 -12.100 5.222 1.00 0.00 C ATOM 914 CG TYR A 56 -10.646 -12.273 6.063 1.00 0.00 C ATOM 915 CD1 TYR A 56 -9.726 -11.223 6.165 1.00 0.00 C ATOM 916 CD2 TYR A 56 -10.407 -13.480 6.730 1.00 0.00 C ATOM 917 CE1 TYR A 56 -8.567 -11.379 6.936 1.00 0.00 C ATOM 918 CE2 TYR A 56 -9.248 -13.636 7.501 1.00 0.00 C ATOM 919 CZ TYR A 56 -8.328 -12.585 7.603 1.00 0.00 C ATOM 920 OH TYR A 56 -7.185 -12.739 8.363 1.00 0.00 O ATOM 0 H TYR A 56 -10.711 -10.356 3.586 1.00 0.00 H new ATOM 0 HA TYR A 56 -11.161 -13.335 3.619 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -12.304 -11.102 5.364 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -12.655 -12.811 5.531 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -9.910 -10.292 5.649 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -11.116 -14.291 6.650 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -7.858 -10.568 7.015 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -9.064 -14.567 8.017 1.00 0.00 H new ATOM 0 HH TYR A 56 -7.174 -13.635 8.759 1.00 0.00 H new ATOM 930 N TYR A 57 -13.229 -13.108 2.218 1.00 0.00 N ATOM 931 CA TYR A 57 -14.427 -12.934 1.345 1.00 0.00 C ATOM 932 C TYR A 57 -15.199 -14.247 1.262 1.00 0.00 C ATOM 933 O TYR A 57 -14.677 -15.310 1.537 1.00 0.00 O ATOM 934 CB TYR A 57 -13.989 -12.513 -0.061 1.00 0.00 C ATOM 935 CG TYR A 57 -13.169 -13.609 -0.706 1.00 0.00 C ATOM 936 CD1 TYR A 57 -11.829 -13.790 -0.343 1.00 0.00 C ATOM 937 CD2 TYR A 57 -13.747 -14.438 -1.679 1.00 0.00 C ATOM 938 CE1 TYR A 57 -11.069 -14.798 -0.951 1.00 0.00 C ATOM 939 CE2 TYR A 57 -12.983 -15.443 -2.287 1.00 0.00 C ATOM 940 CZ TYR A 57 -11.644 -15.622 -1.923 1.00 0.00 C ATOM 941 OH TYR A 57 -10.892 -16.611 -2.523 1.00 0.00 O ATOM 0 H TYR A 57 -12.838 -14.050 2.241 1.00 0.00 H new ATOM 0 HA TYR A 57 -15.067 -12.162 1.771 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -14.865 -12.297 -0.673 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -13.404 -11.595 -0.007 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -11.381 -13.153 0.405 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -14.781 -14.302 -1.959 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -10.036 -14.939 -0.668 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -13.428 -16.080 -3.037 1.00 0.00 H new ATOM 0 HH TYR A 57 -11.444 -17.092 -3.174 1.00 0.00 H new ATOM 951 N SER A 58 -16.450 -14.177 0.886 1.00 0.00 N ATOM 952 CA SER A 58 -17.288 -15.409 0.777 1.00 0.00 C ATOM 953 C SER A 58 -18.125 -15.349 -0.504 1.00 0.00 C ATOM 954 O SER A 58 -17.975 -14.462 -1.323 1.00 0.00 O ATOM 955 CB SER A 58 -18.223 -15.503 1.986 1.00 0.00 C ATOM 956 OG SER A 58 -19.390 -14.729 1.744 1.00 0.00 O ATOM 0 H SER A 58 -16.932 -13.310 0.647 1.00 0.00 H new ATOM 0 HA SER A 58 -16.638 -16.284 0.749 1.00 0.00 H new ATOM 0 HB2 SER A 58 -18.495 -16.543 2.169 1.00 0.00 H new ATOM 0 HB3 SER A 58 -17.715 -15.144 2.881 1.00 0.00 H new ATOM 0 HG SER A 58 -20.151 -15.326 1.586 1.00 0.00 H new ATOM 962 N ASP A 59 -19.009 -16.292 -0.674 1.00 0.00 N ATOM 963 CA ASP A 59 -19.876 -16.310 -1.889 1.00 0.00 C ATOM 964 C ASP A 59 -20.781 -15.066 -1.894 1.00 0.00 C ATOM 965 O ASP A 59 -20.978 -14.425 -2.908 1.00 0.00 O ATOM 966 CB ASP A 59 -20.747 -17.570 -1.850 1.00 0.00 C ATOM 967 CG ASP A 59 -19.941 -18.789 -2.317 1.00 0.00 C ATOM 968 OD1 ASP A 59 -18.883 -18.597 -2.894 1.00 0.00 O ATOM 969 OD2 ASP A 59 -20.398 -19.895 -2.084 1.00 0.00 O ATOM 0 H ASP A 59 -19.170 -17.057 -0.019 1.00 0.00 H new ATOM 0 HA ASP A 59 -19.258 -16.308 -2.787 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -21.115 -17.735 -0.837 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -21.620 -17.437 -2.488 1.00 0.00 H new ATOM 974 N THR A 60 -21.342 -14.732 -0.767 1.00 0.00 N ATOM 975 CA THR A 60 -22.240 -13.539 -0.699 1.00 0.00 C ATOM 976 C THR A 60 -21.436 -12.266 -0.991 1.00 0.00 C ATOM 977 O THR A 60 -21.840 -11.424 -1.768 1.00 0.00 O ATOM 978 CB THR A 60 -22.836 -13.449 0.707 1.00 0.00 C ATOM 979 OG1 THR A 60 -23.371 -14.712 1.085 1.00 0.00 O ATOM 980 CG2 THR A 60 -23.947 -12.399 0.733 1.00 0.00 C ATOM 0 H THR A 60 -21.219 -15.232 0.113 1.00 0.00 H new ATOM 0 HA THR A 60 -23.035 -13.637 -1.438 1.00 0.00 H new ATOM 0 HB THR A 60 -22.051 -13.163 1.407 1.00 0.00 H new ATOM 0 HG1 THR A 60 -23.888 -14.614 1.912 1.00 0.00 H new ATOM 0 HG21 THR A 60 -24.368 -12.339 1.737 1.00 0.00 H new ATOM 0 HG22 THR A 60 -23.537 -11.429 0.453 1.00 0.00 H new ATOM 0 HG23 THR A 60 -24.729 -12.680 0.028 1.00 0.00 H new ATOM 988 N LEU A 61 -20.304 -12.117 -0.364 1.00 0.00 N ATOM 989 CA LEU A 61 -19.474 -10.898 -0.596 1.00 0.00 C ATOM 990 C LEU A 61 -19.014 -10.854 -2.061 1.00 0.00 C ATOM 991 O LEU A 61 -19.026 -9.819 -2.699 1.00 0.00 O ATOM 992 CB LEU A 61 -18.250 -10.952 0.325 1.00 0.00 C ATOM 993 CG LEU A 61 -18.621 -10.466 1.730 1.00 0.00 C ATOM 994 CD1 LEU A 61 -19.725 -11.352 2.306 1.00 0.00 C ATOM 995 CD2 LEU A 61 -17.387 -10.541 2.632 1.00 0.00 C ATOM 0 H LEU A 61 -19.915 -12.786 0.300 1.00 0.00 H new ATOM 0 HA LEU A 61 -20.062 -10.005 -0.382 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -17.868 -11.972 0.374 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -17.452 -10.332 -0.083 1.00 0.00 H new ATOM 0 HG LEU A 61 -18.976 -9.437 1.676 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -19.987 -11.004 3.305 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -20.604 -11.303 1.663 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -19.373 -12.382 2.361 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -17.646 -10.196 3.633 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -17.036 -11.572 2.683 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -16.599 -9.909 2.223 1.00 0.00 H new ATOM 1007 N HIS A 62 -18.605 -11.969 -2.593 1.00 0.00 N ATOM 1008 CA HIS A 62 -18.143 -11.992 -4.011 1.00 0.00 C ATOM 1009 C HIS A 62 -19.316 -11.645 -4.936 1.00 0.00 C ATOM 1010 O HIS A 62 -19.168 -10.932 -5.911 1.00 0.00 O ATOM 1011 CB HIS A 62 -17.617 -13.386 -4.352 1.00 0.00 C ATOM 1012 CG HIS A 62 -17.065 -13.383 -5.750 1.00 0.00 C ATOM 1013 ND1 HIS A 62 -15.780 -13.349 -6.230 1.00 0.00 N flip ATOM 1014 CD2 HIS A 62 -17.886 -13.412 -6.865 1.00 0.00 C flip ATOM 1015 CE1 HIS A 62 -15.799 -13.356 -7.621 1.00 0.00 C flip ATOM 1016 NE2 HIS A 62 -17.093 -13.394 -7.952 1.00 0.00 N flip ATOM 0 H HIS A 62 -18.570 -12.867 -2.110 1.00 0.00 H new ATOM 0 HA HIS A 62 -17.346 -11.261 -4.147 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -16.842 -13.677 -3.644 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -18.418 -14.120 -4.267 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -18.966 -13.443 -6.863 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -14.951 -13.335 -8.289 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -17.438 -13.408 -8.912 1.00 0.00 H new ATOM 1024 N LYS A 63 -20.480 -12.154 -4.642 1.00 0.00 N ATOM 1025 CA LYS A 63 -21.668 -11.857 -5.500 1.00 0.00 C ATOM 1026 C LYS A 63 -22.009 -10.363 -5.422 1.00 0.00 C ATOM 1027 O LYS A 63 -22.380 -9.743 -6.400 1.00 0.00 O ATOM 1028 CB LYS A 63 -22.868 -12.676 -5.019 1.00 0.00 C ATOM 1029 CG LYS A 63 -24.041 -12.461 -5.979 1.00 0.00 C ATOM 1030 CD LYS A 63 -25.231 -13.333 -5.572 1.00 0.00 C ATOM 1031 CE LYS A 63 -26.382 -13.110 -6.560 1.00 0.00 C ATOM 1032 NZ LYS A 63 -27.539 -13.971 -6.186 1.00 0.00 N ATOM 0 H LYS A 63 -20.663 -12.763 -3.845 1.00 0.00 H new ATOM 0 HA LYS A 63 -21.435 -12.121 -6.532 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -22.608 -13.734 -4.975 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -23.148 -12.374 -4.010 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -24.334 -11.411 -5.976 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -23.735 -12.704 -6.997 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -24.941 -14.384 -5.564 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -25.551 -13.083 -4.560 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -26.680 -12.062 -6.555 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -26.055 -13.344 -7.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -28.318 -13.817 -6.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -27.251 -14.970 -6.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -27.857 -13.728 -5.226 1.00 0.00 H new ATOM 1046 N SER A 64 -21.896 -9.788 -4.260 1.00 0.00 N ATOM 1047 CA SER A 64 -22.219 -8.340 -4.101 1.00 0.00 C ATOM 1048 C SER A 64 -21.051 -7.493 -4.614 1.00 0.00 C ATOM 1049 O SER A 64 -21.099 -6.279 -4.598 1.00 0.00 O ATOM 1050 CB SER A 64 -22.474 -8.040 -2.625 1.00 0.00 C ATOM 1051 OG SER A 64 -23.338 -9.037 -2.093 1.00 0.00 O ATOM 0 H SER A 64 -21.592 -10.259 -3.408 1.00 0.00 H new ATOM 0 HA SER A 64 -23.112 -8.097 -4.678 1.00 0.00 H new ATOM 0 HB2 SER A 64 -21.533 -8.025 -2.076 1.00 0.00 H new ATOM 0 HB3 SER A 64 -22.924 -7.053 -2.513 1.00 0.00 H new ATOM 0 HG SER A 64 -22.825 -9.853 -1.914 1.00 0.00 H new ATOM 1057 N ASN A 65 -20.004 -8.134 -5.060 1.00 0.00 N ATOM 1058 CA ASN A 65 -18.812 -7.391 -5.578 1.00 0.00 C ATOM 1059 C ASN A 65 -18.137 -6.638 -4.430 1.00 0.00 C ATOM 1060 O ASN A 65 -17.670 -5.527 -4.592 1.00 0.00 O ATOM 1061 CB ASN A 65 -19.244 -6.393 -6.665 1.00 0.00 C ATOM 1062 CG ASN A 65 -18.031 -5.982 -7.502 1.00 0.00 C ATOM 1063 OD1 ASN A 65 -16.969 -6.562 -7.384 1.00 0.00 O ATOM 1064 ND2 ASN A 65 -18.147 -4.997 -8.351 1.00 0.00 N ATOM 0 H ASN A 65 -19.920 -9.150 -5.089 1.00 0.00 H new ATOM 0 HA ASN A 65 -18.109 -8.104 -6.009 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -20.003 -6.844 -7.305 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -19.695 -5.514 -6.206 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -17.346 -4.714 -8.916 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -19.038 -4.511 -8.449 1.00 0.00 H new ATOM 1071 N ILE A 66 -18.075 -7.245 -3.271 1.00 0.00 N ATOM 1072 CA ILE A 66 -17.423 -6.588 -2.097 1.00 0.00 C ATOM 1073 C ILE A 66 -16.263 -7.452 -1.613 1.00 0.00 C ATOM 1074 O ILE A 66 -16.394 -8.647 -1.424 1.00 0.00 O ATOM 1075 CB ILE A 66 -18.443 -6.407 -0.975 1.00 0.00 C ATOM 1076 CG1 ILE A 66 -19.548 -5.474 -1.478 1.00 0.00 C ATOM 1077 CG2 ILE A 66 -17.756 -5.787 0.251 1.00 0.00 C ATOM 1078 CD1 ILE A 66 -20.700 -5.444 -0.477 1.00 0.00 C ATOM 0 H ILE A 66 -18.451 -8.175 -3.087 1.00 0.00 H new ATOM 0 HA ILE A 66 -17.044 -5.609 -2.391 1.00 0.00 H new ATOM 0 HB ILE A 66 -18.867 -7.370 -0.690 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -19.151 -4.469 -1.618 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -19.908 -5.813 -2.449 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -18.485 -5.659 1.051 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -16.956 -6.445 0.591 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -17.338 -4.817 -0.018 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -21.482 -4.778 -0.842 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -21.105 -6.449 -0.358 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -20.337 -5.084 0.485 1.00 0.00 H new ATOM 1090 N TYR A 67 -15.116 -6.847 -1.426 1.00 0.00 N ATOM 1091 CA TYR A 67 -13.911 -7.608 -0.967 1.00 0.00 C ATOM 1092 C TYR A 67 -13.283 -6.908 0.246 1.00 0.00 C ATOM 1093 O TYR A 67 -12.456 -6.030 0.093 1.00 0.00 O ATOM 1094 CB TYR A 67 -12.897 -7.651 -2.108 1.00 0.00 C ATOM 1095 CG TYR A 67 -13.475 -8.473 -3.234 1.00 0.00 C ATOM 1096 CD1 TYR A 67 -13.308 -9.864 -3.240 1.00 0.00 C ATOM 1097 CD2 TYR A 67 -14.187 -7.849 -4.265 1.00 0.00 C ATOM 1098 CE1 TYR A 67 -13.853 -10.629 -4.277 1.00 0.00 C ATOM 1099 CE2 TYR A 67 -14.730 -8.615 -5.303 1.00 0.00 C ATOM 1100 CZ TYR A 67 -14.563 -10.004 -5.309 1.00 0.00 C ATOM 1101 OH TYR A 67 -15.100 -10.760 -6.331 1.00 0.00 O ATOM 0 H TYR A 67 -14.961 -5.850 -1.573 1.00 0.00 H new ATOM 0 HA TYR A 67 -14.201 -8.619 -0.682 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -12.672 -6.642 -2.453 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -11.959 -8.087 -1.764 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -12.759 -10.346 -2.444 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -14.317 -6.777 -4.260 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -13.726 -11.701 -4.281 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -15.278 -8.134 -6.099 1.00 0.00 H new ATOM 0 HH TYR A 67 -15.314 -11.656 -5.997 1.00 0.00 H new ATOM 1111 N PRO A 68 -13.670 -7.284 1.445 1.00 0.00 N ATOM 1112 CA PRO A 68 -13.126 -6.680 2.686 1.00 0.00 C ATOM 1113 C PRO A 68 -11.781 -7.301 3.064 1.00 0.00 C ATOM 1114 O PRO A 68 -11.562 -8.484 2.889 1.00 0.00 O ATOM 1115 CB PRO A 68 -14.209 -6.970 3.731 1.00 0.00 C ATOM 1116 CG PRO A 68 -14.866 -8.240 3.274 1.00 0.00 C ATOM 1117 CD PRO A 68 -14.657 -8.331 1.749 1.00 0.00 C ATOM 0 HA PRO A 68 -12.920 -5.614 2.588 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -13.776 -7.086 4.725 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -14.929 -6.153 3.790 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -14.428 -9.103 3.776 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -15.928 -8.234 3.518 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -14.292 -9.316 1.457 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -15.590 -8.164 1.211 1.00 0.00 H new ATOM 1125 N PHE A 69 -10.867 -6.519 3.568 1.00 0.00 N ATOM 1126 CA PHE A 69 -9.539 -7.089 3.929 1.00 0.00 C ATOM 1127 C PHE A 69 -8.889 -6.274 5.048 1.00 0.00 C ATOM 1128 O PHE A 69 -9.270 -5.148 5.332 1.00 0.00 O ATOM 1129 CB PHE A 69 -8.631 -7.080 2.698 1.00 0.00 C ATOM 1130 CG PHE A 69 -8.370 -5.659 2.260 1.00 0.00 C ATOM 1131 CD1 PHE A 69 -7.286 -4.952 2.789 1.00 0.00 C ATOM 1132 CD2 PHE A 69 -9.205 -5.054 1.313 1.00 0.00 C ATOM 1133 CE1 PHE A 69 -7.036 -3.638 2.373 1.00 0.00 C ATOM 1134 CE2 PHE A 69 -8.955 -3.742 0.894 1.00 0.00 C ATOM 1135 CZ PHE A 69 -7.870 -3.034 1.425 1.00 0.00 C ATOM 0 H PHE A 69 -10.980 -5.521 3.744 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.680 -8.112 4.279 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -7.689 -7.578 2.927 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -9.098 -7.639 1.887 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -6.641 -5.419 3.519 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -10.043 -5.600 0.905 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -6.200 -3.091 2.784 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -9.598 -3.276 0.162 1.00 0.00 H new ATOM 0 HZ PHE A 69 -7.677 -2.021 1.103 1.00 0.00 H new ATOM 1145 N ILE A 70 -7.894 -6.848 5.680 1.00 0.00 N ATOM 1146 CA ILE A 70 -7.176 -6.148 6.785 1.00 0.00 C ATOM 1147 C ILE A 70 -5.672 -6.255 6.546 1.00 0.00 C ATOM 1148 O ILE A 70 -5.187 -7.225 5.996 1.00 0.00 O ATOM 1149 CB ILE A 70 -7.513 -6.801 8.122 1.00 0.00 C ATOM 1150 CG1 ILE A 70 -9.015 -6.667 8.387 1.00 0.00 C ATOM 1151 CG2 ILE A 70 -6.725 -6.103 9.237 1.00 0.00 C ATOM 1152 CD1 ILE A 70 -9.398 -7.512 9.603 1.00 0.00 C ATOM 0 H ILE A 70 -7.546 -7.784 5.472 1.00 0.00 H new ATOM 0 HA ILE A 70 -7.482 -5.102 6.807 1.00 0.00 H new ATOM 0 HB ILE A 70 -7.245 -7.857 8.096 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -9.272 -5.622 8.562 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -9.579 -6.992 7.513 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -6.962 -6.566 10.195 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -5.657 -6.199 9.042 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -6.995 -5.047 9.267 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -10.467 -7.416 9.791 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -9.156 -8.557 9.411 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -8.844 -7.166 10.476 1.00 0.00 H new ATOM 1164 N LEU A 71 -4.929 -5.262 6.954 1.00 0.00 N ATOM 1165 CA LEU A 71 -3.451 -5.290 6.752 1.00 0.00 C ATOM 1166 C LEU A 71 -2.770 -5.658 8.062 1.00 0.00 C ATOM 1167 O LEU A 71 -3.151 -5.203 9.124 1.00 0.00 O ATOM 1168 CB LEU A 71 -2.982 -3.905 6.310 1.00 0.00 C ATOM 1169 CG LEU A 71 -3.814 -3.440 5.112 1.00 0.00 C ATOM 1170 CD1 LEU A 71 -3.248 -2.121 4.582 1.00 0.00 C ATOM 1171 CD2 LEU A 71 -3.769 -4.498 4.002 1.00 0.00 C ATOM 0 H LEU A 71 -5.284 -4.428 7.421 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.197 -6.027 5.990 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.082 -3.196 7.132 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.926 -3.936 6.042 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.847 -3.296 5.427 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.839 -1.788 3.729 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.288 -1.366 5.367 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.213 -2.268 4.272 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.363 -4.160 3.153 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.737 -4.649 3.685 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.175 -5.437 4.378 1.00 0.00 H new ATOM 1183 N TYR A 72 -1.765 -6.493 7.990 1.00 0.00 N ATOM 1184 CA TYR A 72 -1.039 -6.919 9.219 1.00 0.00 C ATOM 1185 C TYR A 72 0.459 -6.758 9.019 1.00 0.00 C ATOM 1186 O TYR A 72 1.003 -7.059 7.973 1.00 0.00 O ATOM 1187 CB TYR A 72 -1.363 -8.380 9.517 1.00 0.00 C ATOM 1188 CG TYR A 72 -2.809 -8.488 9.939 1.00 0.00 C ATOM 1189 CD1 TYR A 72 -3.196 -8.034 11.203 1.00 0.00 C ATOM 1190 CD2 TYR A 72 -3.759 -9.041 9.071 1.00 0.00 C ATOM 1191 CE1 TYR A 72 -4.533 -8.131 11.603 1.00 0.00 C ATOM 1192 CE2 TYR A 72 -5.097 -9.139 9.471 1.00 0.00 C ATOM 1193 CZ TYR A 72 -5.484 -8.684 10.737 1.00 0.00 C ATOM 1194 OH TYR A 72 -6.804 -8.780 11.131 1.00 0.00 O ATOM 0 H TYR A 72 -1.415 -6.900 7.123 1.00 0.00 H new ATOM 0 HA TYR A 72 -1.354 -6.297 10.057 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -1.182 -8.993 8.634 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -0.712 -8.757 10.306 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -2.462 -7.608 11.871 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -3.460 -9.391 8.094 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -4.832 -7.779 12.580 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -5.831 -9.566 8.803 1.00 0.00 H new ATOM 0 HH TYR A 72 -7.331 -9.186 10.412 1.00 0.00 H new ATOM 1204 N TYR A 73 1.132 -6.279 10.030 1.00 0.00 N ATOM 1205 CA TYR A 73 2.603 -6.085 9.937 1.00 0.00 C ATOM 1206 C TYR A 73 3.249 -6.482 11.266 1.00 0.00 C ATOM 1207 O TYR A 73 3.006 -5.887 12.300 1.00 0.00 O ATOM 1208 CB TYR A 73 2.904 -4.620 9.632 1.00 0.00 C ATOM 1209 CG TYR A 73 4.398 -4.416 9.613 1.00 0.00 C ATOM 1210 CD1 TYR A 73 5.148 -4.857 8.516 1.00 0.00 C ATOM 1211 CD2 TYR A 73 5.033 -3.794 10.692 1.00 0.00 C ATOM 1212 CE1 TYR A 73 6.534 -4.673 8.499 1.00 0.00 C ATOM 1213 CE2 TYR A 73 6.421 -3.610 10.676 1.00 0.00 C ATOM 1214 CZ TYR A 73 7.171 -4.050 9.579 1.00 0.00 C ATOM 1215 OH TYR A 73 8.538 -3.867 9.562 1.00 0.00 O ATOM 0 H TYR A 73 0.719 -6.012 10.924 1.00 0.00 H new ATOM 0 HA TYR A 73 3.007 -6.707 9.138 1.00 0.00 H new ATOM 0 HB2 TYR A 73 2.474 -4.340 8.670 1.00 0.00 H new ATOM 0 HB3 TYR A 73 2.446 -3.978 10.384 1.00 0.00 H new ATOM 0 HD1 TYR A 73 4.656 -5.339 7.684 1.00 0.00 H new ATOM 0 HD2 TYR A 73 4.453 -3.455 11.538 1.00 0.00 H new ATOM 0 HE1 TYR A 73 7.113 -5.011 7.653 1.00 0.00 H new ATOM 0 HE2 TYR A 73 6.912 -3.129 11.509 1.00 0.00 H new ATOM 0 HH TYR A 73 8.818 -3.419 10.387 1.00 0.00 H new ATOM 1225 N GLN A 74 4.071 -7.492 11.235 1.00 0.00 N ATOM 1226 CA GLN A 74 4.755 -7.967 12.473 1.00 0.00 C ATOM 1227 C GLN A 74 3.724 -8.207 13.584 1.00 0.00 C ATOM 1228 O GLN A 74 3.770 -7.614 14.645 1.00 0.00 O ATOM 1229 CB GLN A 74 5.794 -6.941 12.926 1.00 0.00 C ATOM 1230 CG GLN A 74 6.709 -7.582 13.973 1.00 0.00 C ATOM 1231 CD GLN A 74 7.771 -6.576 14.422 1.00 0.00 C ATOM 1232 OE1 GLN A 74 7.471 -5.423 14.665 1.00 0.00 O ATOM 1233 NE2 GLN A 74 9.011 -6.968 14.543 1.00 0.00 N ATOM 0 H GLN A 74 4.303 -8.018 10.392 1.00 0.00 H new ATOM 0 HA GLN A 74 5.263 -8.907 12.258 1.00 0.00 H new ATOM 0 HB2 GLN A 74 6.381 -6.598 12.073 1.00 0.00 H new ATOM 0 HB3 GLN A 74 5.299 -6.065 13.345 1.00 0.00 H new ATOM 0 HG2 GLN A 74 6.121 -7.910 14.830 1.00 0.00 H new ATOM 0 HG3 GLN A 74 7.188 -8.468 13.557 1.00 0.00 H new ATOM 0 HE21 GLN A 74 9.262 -7.935 14.339 1.00 0.00 H new ATOM 0 HE22 GLN A 74 9.728 -6.307 14.841 1.00 0.00 H new ATOM 1242 N LYS A 75 2.801 -9.094 13.338 1.00 0.00 N ATOM 1243 CA LYS A 75 1.758 -9.414 14.355 1.00 0.00 C ATOM 1244 C LYS A 75 1.119 -8.122 14.875 1.00 0.00 C ATOM 1245 O LYS A 75 0.833 -7.983 16.049 1.00 0.00 O ATOM 1246 CB LYS A 75 2.390 -10.201 15.515 1.00 0.00 C ATOM 1247 CG LYS A 75 1.301 -10.965 16.279 1.00 0.00 C ATOM 1248 CD LYS A 75 1.940 -11.857 17.346 1.00 0.00 C ATOM 1249 CE LYS A 75 0.836 -12.554 18.146 1.00 0.00 C ATOM 1250 NZ LYS A 75 0.046 -13.439 17.243 1.00 0.00 N ATOM 0 H LYS A 75 2.723 -9.617 12.466 1.00 0.00 H new ATOM 0 HA LYS A 75 0.982 -10.025 13.894 1.00 0.00 H new ATOM 0 HB2 LYS A 75 3.134 -10.898 15.131 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.909 -9.519 16.189 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.611 -10.262 16.746 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.717 -11.572 15.587 1.00 0.00 H new ATOM 0 HD2 LYS A 75 2.589 -12.597 16.878 1.00 0.00 H new ATOM 0 HD3 LYS A 75 2.565 -11.260 18.010 1.00 0.00 H new ATOM 0 HE2 LYS A 75 1.273 -13.140 18.954 1.00 0.00 H new ATOM 0 HE3 LYS A 75 0.184 -11.812 18.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -0.487 -14.128 17.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -0.617 -12.863 16.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.690 -13.944 16.601 1.00 0.00 H new ATOM 1264 N GLN A 76 0.877 -7.177 14.004 1.00 0.00 N ATOM 1265 CA GLN A 76 0.239 -5.900 14.444 1.00 0.00 C ATOM 1266 C GLN A 76 -0.559 -5.300 13.280 1.00 0.00 C ATOM 1267 O GLN A 76 -0.036 -5.058 12.209 1.00 0.00 O ATOM 1268 CB GLN A 76 1.316 -4.912 14.898 1.00 0.00 C ATOM 1269 CG GLN A 76 0.654 -3.686 15.534 1.00 0.00 C ATOM 1270 CD GLN A 76 -0.014 -4.091 16.851 1.00 0.00 C ATOM 1271 OE1 GLN A 76 -1.200 -3.894 17.030 1.00 0.00 O ATOM 1272 NE2 GLN A 76 0.700 -4.659 17.784 1.00 0.00 N ATOM 0 H GLN A 76 1.093 -7.234 13.009 1.00 0.00 H new ATOM 0 HA GLN A 76 -0.434 -6.100 15.278 1.00 0.00 H new ATOM 0 HB2 GLN A 76 1.983 -5.390 15.615 1.00 0.00 H new ATOM 0 HB3 GLN A 76 1.927 -4.608 14.048 1.00 0.00 H new ATOM 0 HG2 GLN A 76 1.398 -2.911 15.715 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -0.086 -3.265 14.853 1.00 0.00 H new ATOM 0 HE21 GLN A 76 1.695 -4.825 17.635 1.00 0.00 H new ATOM 0 HE22 GLN A 76 0.263 -4.937 18.663 1.00 0.00 H new ATOM 1281 N LEU A 77 -1.829 -5.066 13.485 1.00 0.00 N ATOM 1282 CA LEU A 77 -2.677 -4.490 12.400 1.00 0.00 C ATOM 1283 C LEU A 77 -2.282 -3.039 12.113 1.00 0.00 C ATOM 1284 O LEU A 77 -2.007 -2.261 13.006 1.00 0.00 O ATOM 1285 CB LEU A 77 -4.155 -4.578 12.810 1.00 0.00 C ATOM 1286 CG LEU A 77 -4.511 -3.510 13.883 1.00 0.00 C ATOM 1287 CD1 LEU A 77 -5.197 -2.298 13.229 1.00 0.00 C ATOM 1288 CD2 LEU A 77 -5.469 -4.117 14.920 1.00 0.00 C ATOM 0 H LEU A 77 -2.317 -5.250 14.361 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.523 -5.062 11.485 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.786 -4.439 11.932 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.367 -5.573 13.201 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.589 -3.187 14.366 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.439 -1.560 13.994 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.526 -1.852 12.495 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.113 -2.621 12.734 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.716 -3.366 15.670 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.381 -4.448 14.423 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.990 -4.969 15.403 1.00 0.00 H new ATOM 1300 N ILE A 78 -2.241 -2.679 10.854 1.00 0.00 N ATOM 1301 CA ILE A 78 -1.863 -1.285 10.464 1.00 0.00 C ATOM 1302 C ILE A 78 -3.098 -0.525 9.976 1.00 0.00 C ATOM 1303 O ILE A 78 -3.289 0.637 10.285 1.00 0.00 O ATOM 1304 CB ILE A 78 -0.835 -1.344 9.335 1.00 0.00 C ATOM 1305 CG1 ILE A 78 0.393 -2.155 9.785 1.00 0.00 C ATOM 1306 CG2 ILE A 78 -0.410 0.074 8.945 1.00 0.00 C ATOM 1307 CD1 ILE A 78 0.986 -1.581 11.081 1.00 0.00 C ATOM 0 H ILE A 78 -2.455 -3.298 10.072 1.00 0.00 H new ATOM 0 HA ILE A 78 -1.443 -0.771 11.329 1.00 0.00 H new ATOM 0 HB ILE A 78 -1.284 -1.832 8.470 1.00 0.00 H new ATOM 0 HG12 ILE A 78 0.109 -3.196 9.940 1.00 0.00 H new ATOM 0 HG13 ILE A 78 1.148 -2.145 8.999 1.00 0.00 H new ATOM 0 HG21 ILE A 78 0.323 0.026 8.140 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.282 0.636 8.609 1.00 0.00 H new ATOM 0 HG23 ILE A 78 0.032 0.572 9.808 1.00 0.00 H new ATOM 0 HD11 ILE A 78 1.852 -2.172 11.378 1.00 0.00 H new ATOM 0 HD12 ILE A 78 1.291 -0.548 10.915 1.00 0.00 H new ATOM 0 HD13 ILE A 78 0.236 -1.615 11.871 1.00 0.00 H new ATOM 1319 N ALA A 79 -3.939 -1.152 9.201 1.00 0.00 N ATOM 1320 CA ALA A 79 -5.139 -0.423 8.699 1.00 0.00 C ATOM 1321 C ALA A 79 -6.229 -1.403 8.272 1.00 0.00 C ATOM 1322 O ALA A 79 -5.996 -2.579 8.071 1.00 0.00 O ATOM 1323 CB ALA A 79 -4.751 0.438 7.499 1.00 0.00 C ATOM 0 H ALA A 79 -3.851 -2.122 8.897 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.520 0.204 9.505 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -5.629 0.970 7.134 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.989 1.158 7.799 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.357 -0.198 6.707 1.00 0.00 H new ATOM 1329 N ILE A 80 -7.430 -0.905 8.131 1.00 0.00 N ATOM 1330 CA ILE A 80 -8.576 -1.764 7.717 1.00 0.00 C ATOM 1331 C ILE A 80 -9.340 -1.065 6.594 1.00 0.00 C ATOM 1332 O ILE A 80 -9.438 0.147 6.559 1.00 0.00 O ATOM 1333 CB ILE A 80 -9.512 -1.960 8.908 1.00 0.00 C ATOM 1334 CG1 ILE A 80 -8.763 -2.700 10.017 1.00 0.00 C ATOM 1335 CG2 ILE A 80 -10.733 -2.777 8.482 1.00 0.00 C ATOM 1336 CD1 ILE A 80 -9.584 -2.681 11.310 1.00 0.00 C ATOM 0 H ILE A 80 -7.667 0.075 8.288 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.208 -2.731 7.373 1.00 0.00 H new ATOM 0 HB ILE A 80 -9.845 -0.988 9.272 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -8.572 -3.729 9.713 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -7.793 -2.232 10.186 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -11.396 -2.913 9.336 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -11.265 -2.250 7.690 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -10.409 -3.751 8.116 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -9.042 -3.211 12.093 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -9.752 -1.649 11.619 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -10.543 -3.170 11.139 1.00 0.00 H new ATOM 1348 N GLY A 81 -9.895 -1.812 5.680 1.00 0.00 N ATOM 1349 CA GLY A 81 -10.654 -1.165 4.576 1.00 0.00 C ATOM 1350 C GLY A 81 -11.317 -2.233 3.715 1.00 0.00 C ATOM 1351 O GLY A 81 -11.029 -3.409 3.828 1.00 0.00 O ATOM 0 H GLY A 81 -9.856 -2.831 5.650 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -11.409 -0.494 4.985 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -9.984 -0.558 3.968 1.00 0.00 H new ATOM 1355 N PHE A 82 -12.213 -1.831 2.855 1.00 0.00 N ATOM 1356 CA PHE A 82 -12.912 -2.812 1.982 1.00 0.00 C ATOM 1357 C PHE A 82 -13.276 -2.144 0.660 1.00 0.00 C ATOM 1358 O PHE A 82 -13.382 -0.935 0.574 1.00 0.00 O ATOM 1359 CB PHE A 82 -14.186 -3.306 2.680 1.00 0.00 C ATOM 1360 CG PHE A 82 -15.117 -2.145 2.934 1.00 0.00 C ATOM 1361 CD1 PHE A 82 -15.020 -1.423 4.130 1.00 0.00 C ATOM 1362 CD2 PHE A 82 -16.081 -1.792 1.981 1.00 0.00 C ATOM 1363 CE1 PHE A 82 -15.886 -0.349 4.374 1.00 0.00 C ATOM 1364 CE2 PHE A 82 -16.947 -0.719 2.225 1.00 0.00 C ATOM 1365 CZ PHE A 82 -16.849 0.003 3.421 1.00 0.00 C ATOM 0 H PHE A 82 -12.491 -0.859 2.720 1.00 0.00 H new ATOM 0 HA PHE A 82 -12.256 -3.661 1.790 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -14.683 -4.053 2.062 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -13.930 -3.791 3.622 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -14.277 -1.694 4.865 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -16.156 -2.347 1.058 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -15.811 0.207 5.297 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -17.691 -0.448 1.490 1.00 0.00 H new ATOM 0 HZ PHE A 82 -17.516 0.831 3.608 1.00 0.00 H new ATOM 1375 N ILE A 83 -13.464 -2.923 -0.375 1.00 0.00 N ATOM 1376 CA ILE A 83 -13.817 -2.343 -1.705 1.00 0.00 C ATOM 1377 C ILE A 83 -15.307 -2.555 -1.974 1.00 0.00 C ATOM 1378 O ILE A 83 -15.809 -3.663 -1.936 1.00 0.00 O ATOM 1379 CB ILE A 83 -12.999 -3.036 -2.789 1.00 0.00 C ATOM 1380 CG1 ILE A 83 -11.508 -2.850 -2.489 1.00 0.00 C ATOM 1381 CG2 ILE A 83 -13.326 -2.412 -4.144 1.00 0.00 C ATOM 1382 CD1 ILE A 83 -10.676 -3.699 -3.449 1.00 0.00 C ATOM 0 H ILE A 83 -13.388 -3.940 -0.355 1.00 0.00 H new ATOM 0 HA ILE A 83 -13.598 -1.275 -1.709 1.00 0.00 H new ATOM 0 HB ILE A 83 -13.239 -4.099 -2.810 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -11.236 -1.799 -2.589 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -11.297 -3.137 -1.459 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -12.743 -2.905 -4.922 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -14.388 -2.535 -4.354 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -13.080 -1.350 -4.124 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -9.617 -3.563 -3.231 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -10.939 -4.750 -3.327 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -10.878 -3.391 -4.475 1.00 0.00 H new ATOM 1394 N ASP A 84 -16.019 -1.489 -2.234 1.00 0.00 N ATOM 1395 CA ASP A 84 -17.486 -1.599 -2.493 1.00 0.00 C ATOM 1396 C ASP A 84 -17.764 -1.659 -4.000 1.00 0.00 C ATOM 1397 O ASP A 84 -16.865 -1.697 -4.817 1.00 0.00 O ATOM 1398 CB ASP A 84 -18.197 -0.383 -1.885 1.00 0.00 C ATOM 1399 CG ASP A 84 -17.701 0.904 -2.547 1.00 0.00 C ATOM 1400 OD1 ASP A 84 -17.013 0.807 -3.548 1.00 0.00 O ATOM 1401 OD2 ASP A 84 -18.018 1.967 -2.036 1.00 0.00 O ATOM 0 H ASP A 84 -15.645 -0.541 -2.278 1.00 0.00 H new ATOM 0 HA ASP A 84 -17.860 -2.515 -2.036 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -19.275 -0.478 -2.019 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -18.012 -0.343 -0.812 1.00 0.00 H new ATOM 1406 N GLU A 85 -19.018 -1.673 -4.360 1.00 0.00 N ATOM 1407 CA GLU A 85 -19.405 -1.737 -5.802 1.00 0.00 C ATOM 1408 C GLU A 85 -18.803 -0.551 -6.569 1.00 0.00 C ATOM 1409 O GLU A 85 -18.740 -0.554 -7.783 1.00 0.00 O ATOM 1410 CB GLU A 85 -20.929 -1.672 -5.905 1.00 0.00 C ATOM 1411 CG GLU A 85 -21.540 -2.945 -5.318 1.00 0.00 C ATOM 1412 CD GLU A 85 -23.067 -2.836 -5.334 1.00 0.00 C ATOM 1413 OE1 GLU A 85 -23.565 -1.830 -5.813 1.00 0.00 O ATOM 1414 OE2 GLU A 85 -23.711 -3.759 -4.866 1.00 0.00 O ATOM 0 H GLU A 85 -19.803 -1.642 -3.709 1.00 0.00 H new ATOM 0 HA GLU A 85 -19.031 -2.666 -6.233 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -21.302 -0.798 -5.371 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -21.228 -1.561 -6.947 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -21.221 -3.813 -5.895 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -21.187 -3.093 -4.298 1.00 0.00 H new ATOM 1421 N ASN A 86 -18.368 0.465 -5.878 1.00 0.00 N ATOM 1422 CA ASN A 86 -17.781 1.648 -6.575 1.00 0.00 C ATOM 1423 C ASN A 86 -16.269 1.442 -6.732 1.00 0.00 C ATOM 1424 O ASN A 86 -15.544 2.340 -7.115 1.00 0.00 O ATOM 1425 CB ASN A 86 -18.056 2.906 -5.746 1.00 0.00 C ATOM 1426 CG ASN A 86 -19.566 3.172 -5.706 1.00 0.00 C ATOM 1427 OD1 ASN A 86 -20.225 3.154 -6.726 1.00 0.00 O ATOM 1428 ND2 ASN A 86 -20.144 3.416 -4.561 1.00 0.00 N ATOM 0 H ASN A 86 -18.393 0.529 -4.860 1.00 0.00 H new ATOM 0 HA ASN A 86 -18.231 1.762 -7.561 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -17.671 2.779 -4.734 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -17.537 3.761 -6.179 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -21.148 3.591 -4.524 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -19.591 3.431 -3.704 1.00 0.00 H new ATOM 1435 N HIS A 87 -15.796 0.257 -6.439 1.00 0.00 N ATOM 1436 CA HIS A 87 -14.333 -0.032 -6.568 1.00 0.00 C ATOM 1437 C HIS A 87 -13.521 0.981 -5.752 1.00 0.00 C ATOM 1438 O HIS A 87 -12.306 1.012 -5.803 1.00 0.00 O ATOM 1439 CB HIS A 87 -13.917 0.039 -8.043 1.00 0.00 C ATOM 1440 CG HIS A 87 -14.475 -1.151 -8.774 1.00 0.00 C ATOM 1441 ND1 HIS A 87 -15.776 -1.184 -9.251 1.00 0.00 N ATOM 1442 CD2 HIS A 87 -13.923 -2.362 -9.110 1.00 0.00 C ATOM 1443 CE1 HIS A 87 -15.961 -2.379 -9.843 1.00 0.00 C ATOM 1444 NE2 HIS A 87 -14.862 -3.136 -9.785 1.00 0.00 N ATOM 0 H HIS A 87 -16.362 -0.527 -6.114 1.00 0.00 H new ATOM 0 HA HIS A 87 -14.136 -1.034 -6.186 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -14.284 0.962 -8.492 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -12.830 0.055 -8.126 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -12.912 -2.668 -8.884 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -16.885 -2.688 -10.308 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -14.738 -4.078 -10.156 1.00 0.00 H new ATOM 1452 N ASP A 88 -14.184 1.806 -4.995 1.00 0.00 N ATOM 1453 CA ASP A 88 -13.459 2.814 -4.171 1.00 0.00 C ATOM 1454 C ASP A 88 -12.964 2.168 -2.872 1.00 0.00 C ATOM 1455 O ASP A 88 -13.738 1.668 -2.075 1.00 0.00 O ATOM 1456 CB ASP A 88 -14.407 3.970 -3.853 1.00 0.00 C ATOM 1457 CG ASP A 88 -13.675 5.033 -3.032 1.00 0.00 C ATOM 1458 OD1 ASP A 88 -12.545 4.782 -2.644 1.00 0.00 O ATOM 1459 OD2 ASP A 88 -14.258 6.080 -2.802 1.00 0.00 O ATOM 0 H ASP A 88 -15.200 1.827 -4.910 1.00 0.00 H new ATOM 0 HA ASP A 88 -12.598 3.189 -4.723 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -14.784 4.408 -4.777 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -15.271 3.602 -3.300 1.00 0.00 H new ATOM 1464 N MET A 89 -11.676 2.174 -2.656 1.00 0.00 N ATOM 1465 CA MET A 89 -11.120 1.565 -1.416 1.00 0.00 C ATOM 1466 C MET A 89 -11.671 2.306 -0.196 1.00 0.00 C ATOM 1467 O MET A 89 -11.128 3.301 0.245 1.00 0.00 O ATOM 1468 CB MET A 89 -9.593 1.671 -1.448 1.00 0.00 C ATOM 1469 CG MET A 89 -9.037 0.822 -2.601 1.00 0.00 C ATOM 1470 SD MET A 89 -9.183 1.740 -4.153 1.00 0.00 S ATOM 1471 CE MET A 89 -7.972 0.783 -5.100 1.00 0.00 C ATOM 0 H MET A 89 -10.984 2.576 -3.288 1.00 0.00 H new ATOM 0 HA MET A 89 -11.408 0.515 -1.355 1.00 0.00 H new ATOM 0 HB2 MET A 89 -9.294 2.712 -1.573 1.00 0.00 H new ATOM 0 HB3 MET A 89 -9.176 1.331 -0.500 1.00 0.00 H new ATOM 0 HG2 MET A 89 -7.993 0.571 -2.411 1.00 0.00 H new ATOM 0 HG3 MET A 89 -9.583 -0.119 -2.670 1.00 0.00 H new ATOM 0 HE1 MET A 89 -7.900 1.186 -6.110 1.00 0.00 H new ATOM 0 HE2 MET A 89 -6.998 0.846 -4.614 1.00 0.00 H new ATOM 0 HE3 MET A 89 -8.288 -0.259 -5.146 1.00 0.00 H new ATOM 1481 N ASP A 90 -12.752 1.824 0.353 1.00 0.00 N ATOM 1482 CA ASP A 90 -13.346 2.493 1.540 1.00 0.00 C ATOM 1483 C ASP A 90 -12.467 2.229 2.761 1.00 0.00 C ATOM 1484 O ASP A 90 -11.965 1.139 2.954 1.00 0.00 O ATOM 1485 CB ASP A 90 -14.754 1.934 1.781 1.00 0.00 C ATOM 1486 CG ASP A 90 -15.749 2.602 0.824 1.00 0.00 C ATOM 1487 OD1 ASP A 90 -15.354 3.529 0.135 1.00 0.00 O ATOM 1488 OD2 ASP A 90 -16.890 2.175 0.798 1.00 0.00 O ATOM 0 H ASP A 90 -13.249 0.994 0.029 1.00 0.00 H new ATOM 0 HA ASP A 90 -13.408 3.568 1.368 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -14.758 0.855 1.629 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -15.054 2.111 2.814 1.00 0.00 H new ATOM 1493 N PHE A 91 -12.274 3.229 3.585 1.00 0.00 N ATOM 1494 CA PHE A 91 -11.424 3.065 4.801 1.00 0.00 C ATOM 1495 C PHE A 91 -12.278 3.240 6.050 1.00 0.00 C ATOM 1496 O PHE A 91 -12.979 4.223 6.208 1.00 0.00 O ATOM 1497 CB PHE A 91 -10.323 4.118 4.774 1.00 0.00 C ATOM 1498 CG PHE A 91 -9.329 3.740 3.705 1.00 0.00 C ATOM 1499 CD1 PHE A 91 -8.283 2.863 4.008 1.00 0.00 C ATOM 1500 CD2 PHE A 91 -9.463 4.252 2.409 1.00 0.00 C ATOM 1501 CE1 PHE A 91 -7.368 2.497 3.016 1.00 0.00 C ATOM 1502 CE2 PHE A 91 -8.546 3.888 1.417 1.00 0.00 C ATOM 1503 CZ PHE A 91 -7.499 3.010 1.720 1.00 0.00 C ATOM 0 H PHE A 91 -12.673 4.160 3.465 1.00 0.00 H new ATOM 0 HA PHE A 91 -10.981 2.069 4.814 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -10.744 5.102 4.569 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -9.831 4.178 5.745 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -8.182 2.468 5.008 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -10.273 4.927 2.175 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -6.561 1.819 3.250 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -8.646 4.285 0.417 1.00 0.00 H new ATOM 0 HZ PHE A 91 -6.792 2.728 0.954 1.00 0.00 H new ATOM 1513 N LEU A 92 -12.224 2.285 6.940 1.00 0.00 N ATOM 1514 CA LEU A 92 -13.026 2.361 8.196 1.00 0.00 C ATOM 1515 C LEU A 92 -12.097 2.671 9.374 1.00 0.00 C ATOM 1516 O LEU A 92 -12.487 3.302 10.337 1.00 0.00 O ATOM 1517 CB LEU A 92 -13.703 1.007 8.423 1.00 0.00 C ATOM 1518 CG LEU A 92 -14.604 1.058 9.664 1.00 0.00 C ATOM 1519 CD1 LEU A 92 -15.753 2.062 9.449 1.00 0.00 C ATOM 1520 CD2 LEU A 92 -15.173 -0.342 9.924 1.00 0.00 C ATOM 0 H LEU A 92 -11.652 1.446 6.849 1.00 0.00 H new ATOM 0 HA LEU A 92 -13.778 3.146 8.115 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -14.294 0.738 7.548 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -12.947 0.232 8.547 1.00 0.00 H new ATOM 0 HG LEU A 92 -14.019 1.384 10.524 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -16.384 2.088 10.337 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -15.340 3.054 9.268 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -16.349 1.755 8.589 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -15.815 -0.316 10.804 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -15.754 -0.665 9.060 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -14.355 -1.042 10.092 1.00 0.00 H new ATOM 1532 N TYR A 93 -10.869 2.237 9.311 1.00 0.00 N ATOM 1533 CA TYR A 93 -9.926 2.518 10.432 1.00 0.00 C ATOM 1534 C TYR A 93 -8.503 2.546 9.885 1.00 0.00 C ATOM 1535 O TYR A 93 -7.939 1.526 9.535 1.00 0.00 O ATOM 1536 CB TYR A 93 -10.054 1.427 11.498 1.00 0.00 C ATOM 1537 CG TYR A 93 -9.102 1.703 12.638 1.00 0.00 C ATOM 1538 CD1 TYR A 93 -9.478 2.576 13.665 1.00 0.00 C ATOM 1539 CD2 TYR A 93 -7.849 1.079 12.671 1.00 0.00 C ATOM 1540 CE1 TYR A 93 -8.600 2.826 14.728 1.00 0.00 C ATOM 1541 CE2 TYR A 93 -6.970 1.331 13.733 1.00 0.00 C ATOM 1542 CZ TYR A 93 -7.346 2.203 14.761 1.00 0.00 C ATOM 1543 OH TYR A 93 -6.483 2.447 15.810 1.00 0.00 O ATOM 0 H TYR A 93 -10.478 1.702 8.536 1.00 0.00 H new ATOM 0 HA TYR A 93 -10.163 3.481 10.884 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -11.078 1.389 11.870 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -9.837 0.452 11.060 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -10.445 3.057 13.638 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -7.560 0.404 11.879 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -8.890 3.499 15.522 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -6.002 0.852 13.758 1.00 0.00 H new ATOM 0 HH TYR A 93 -6.212 3.389 15.799 1.00 0.00 H new ATOM 1553 N LEU A 94 -7.921 3.715 9.801 1.00 0.00 N ATOM 1554 CA LEU A 94 -6.532 3.844 9.262 1.00 0.00 C ATOM 1555 C LEU A 94 -5.568 4.197 10.392 1.00 0.00 C ATOM 1556 O LEU A 94 -5.755 5.165 11.105 1.00 0.00 O ATOM 1557 CB LEU A 94 -6.514 4.951 8.202 1.00 0.00 C ATOM 1558 CG LEU A 94 -5.079 5.215 7.720 1.00 0.00 C ATOM 1559 CD1 LEU A 94 -4.444 3.914 7.211 1.00 0.00 C ATOM 1560 CD2 LEU A 94 -5.117 6.244 6.583 1.00 0.00 C ATOM 0 H LEU A 94 -8.352 4.594 10.085 1.00 0.00 H new ATOM 0 HA LEU A 94 -6.221 2.899 8.816 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.140 4.663 7.357 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -6.938 5.866 8.616 1.00 0.00 H new ATOM 0 HG LEU A 94 -4.484 5.596 8.550 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.427 4.114 6.872 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.420 3.181 8.017 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.033 3.522 6.381 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.103 6.438 6.234 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.716 5.855 5.760 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -5.559 7.172 6.946 1.00 0.00 H new ATOM 1572 N HIS A 95 -4.526 3.420 10.551 1.00 0.00 N ATOM 1573 CA HIS A 95 -3.525 3.701 11.622 1.00 0.00 C ATOM 1574 C HIS A 95 -2.117 3.559 11.047 1.00 0.00 C ATOM 1575 O HIS A 95 -1.677 2.481 10.698 1.00 0.00 O ATOM 1576 CB HIS A 95 -3.716 2.719 12.778 1.00 0.00 C ATOM 1577 CG HIS A 95 -2.797 3.102 13.904 1.00 0.00 C ATOM 1578 ND1 HIS A 95 -1.456 3.384 13.698 1.00 0.00 N ATOM 1579 CD2 HIS A 95 -3.012 3.260 15.250 1.00 0.00 C ATOM 1580 CE1 HIS A 95 -0.917 3.694 14.891 1.00 0.00 C ATOM 1581 NE2 HIS A 95 -1.823 3.634 15.873 1.00 0.00 N ATOM 0 H HIS A 95 -4.326 2.598 9.981 1.00 0.00 H new ATOM 0 HA HIS A 95 -3.664 4.716 11.993 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -4.752 2.733 13.116 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -3.503 1.703 12.447 1.00 0.00 H new ATOM 0 HD1 HIS A 95 -0.966 3.361 12.804 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -3.958 3.116 15.750 1.00 0.00 H new ATOM 0 HE1 HIS A 95 0.120 3.959 15.038 1.00 0.00 H new ATOM 1589 N ASN A 96 -1.412 4.651 10.941 1.00 0.00 N ATOM 1590 CA ASN A 96 -0.035 4.608 10.381 1.00 0.00 C ATOM 1591 C ASN A 96 0.955 4.149 11.458 1.00 0.00 C ATOM 1592 O ASN A 96 0.637 4.088 12.630 1.00 0.00 O ATOM 1593 CB ASN A 96 0.344 6.011 9.900 1.00 0.00 C ATOM 1594 CG ASN A 96 1.593 5.939 9.018 1.00 0.00 C ATOM 1595 OD1 ASN A 96 1.855 4.931 8.393 1.00 0.00 O ATOM 1596 ND2 ASN A 96 2.379 6.979 8.939 1.00 0.00 N ATOM 0 H ASN A 96 -1.734 5.577 11.221 1.00 0.00 H new ATOM 0 HA ASN A 96 0.001 3.905 9.549 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -0.483 6.449 9.340 1.00 0.00 H new ATOM 0 HB3 ASN A 96 0.529 6.661 10.755 1.00 0.00 H new ATOM 0 HD21 ASN A 96 3.213 6.945 8.352 1.00 0.00 H new ATOM 0 HD22 ASN A 96 2.159 7.826 9.464 1.00 0.00 H new ATOM 1603 N THR A 97 2.154 3.827 11.061 1.00 0.00 N ATOM 1604 CA THR A 97 3.181 3.371 12.042 1.00 0.00 C ATOM 1605 C THR A 97 3.470 4.495 13.044 1.00 0.00 C ATOM 1606 O THR A 97 3.802 4.258 14.189 1.00 0.00 O ATOM 1607 CB THR A 97 4.463 3.025 11.284 1.00 0.00 C ATOM 1608 OG1 THR A 97 4.870 4.151 10.518 1.00 0.00 O ATOM 1609 CG2 THR A 97 4.205 1.839 10.351 1.00 0.00 C ATOM 0 H THR A 97 2.470 3.860 10.092 1.00 0.00 H new ATOM 0 HA THR A 97 2.817 2.496 12.580 1.00 0.00 H new ATOM 0 HB THR A 97 5.247 2.760 11.994 1.00 0.00 H new ATOM 0 HG1 THR A 97 5.845 4.242 10.562 1.00 0.00 H new ATOM 0 HG21 THR A 97 5.120 1.594 9.812 1.00 0.00 H new ATOM 0 HG22 THR A 97 3.888 0.977 10.938 1.00 0.00 H new ATOM 0 HG23 THR A 97 3.423 2.100 9.638 1.00 0.00 H new ATOM 1617 N VAL A 98 3.353 5.718 12.614 1.00 0.00 N ATOM 1618 CA VAL A 98 3.624 6.866 13.527 1.00 0.00 C ATOM 1619 C VAL A 98 2.357 7.220 14.306 1.00 0.00 C ATOM 1620 O VAL A 98 2.256 6.987 15.495 1.00 0.00 O ATOM 1621 CB VAL A 98 4.046 8.073 12.691 1.00 0.00 C ATOM 1622 CG1 VAL A 98 4.336 9.266 13.604 1.00 0.00 C ATOM 1623 CG2 VAL A 98 5.299 7.727 11.887 1.00 0.00 C ATOM 0 H VAL A 98 3.080 5.976 11.665 1.00 0.00 H new ATOM 0 HA VAL A 98 4.415 6.595 14.227 1.00 0.00 H new ATOM 0 HB VAL A 98 3.237 8.334 12.009 1.00 0.00 H new ATOM 0 HG11 VAL A 98 4.636 10.122 13.000 1.00 0.00 H new ATOM 0 HG12 VAL A 98 3.439 9.518 14.170 1.00 0.00 H new ATOM 0 HG13 VAL A 98 5.140 9.009 14.294 1.00 0.00 H new ATOM 0 HG21 VAL A 98 5.599 8.589 11.291 1.00 0.00 H new ATOM 0 HG22 VAL A 98 6.106 7.459 12.569 1.00 0.00 H new ATOM 0 HG23 VAL A 98 5.087 6.886 11.227 1.00 0.00 H new ATOM 1633 N MET A 99 1.385 7.791 13.645 1.00 0.00 N ATOM 1634 CA MET A 99 0.122 8.168 14.351 1.00 0.00 C ATOM 1635 C MET A 99 -1.059 8.078 13.369 1.00 0.00 C ATOM 1636 O MET A 99 -0.900 8.323 12.192 1.00 0.00 O ATOM 1637 CB MET A 99 0.234 9.606 14.869 1.00 0.00 C ATOM 1638 CG MET A 99 0.537 10.552 13.704 1.00 0.00 C ATOM 1639 SD MET A 99 1.141 12.129 14.356 1.00 0.00 S ATOM 1640 CE MET A 99 -0.472 12.922 14.570 1.00 0.00 C ATOM 0 H MET A 99 1.409 8.013 12.650 1.00 0.00 H new ATOM 0 HA MET A 99 -0.041 7.488 15.187 1.00 0.00 H new ATOM 0 HB2 MET A 99 -0.695 9.900 15.357 1.00 0.00 H new ATOM 0 HB3 MET A 99 1.023 9.672 15.619 1.00 0.00 H new ATOM 0 HG2 MET A 99 1.283 10.108 13.045 1.00 0.00 H new ATOM 0 HG3 MET A 99 -0.361 10.712 13.107 1.00 0.00 H new ATOM 0 HE1 MET A 99 -0.333 13.926 14.971 1.00 0.00 H new ATOM 0 HE2 MET A 99 -0.978 12.982 13.607 1.00 0.00 H new ATOM 0 HE3 MET A 99 -1.077 12.336 15.262 1.00 0.00 H new ATOM 1650 N PRO A 100 -2.236 7.731 13.843 1.00 0.00 N ATOM 1651 CA PRO A 100 -3.447 7.617 12.975 1.00 0.00 C ATOM 1652 C PRO A 100 -3.937 8.979 12.463 1.00 0.00 C ATOM 1653 O PRO A 100 -3.812 9.993 13.122 1.00 0.00 O ATOM 1654 CB PRO A 100 -4.494 6.959 13.892 1.00 0.00 C ATOM 1655 CG PRO A 100 -4.075 7.323 15.279 1.00 0.00 C ATOM 1656 CD PRO A 100 -2.547 7.412 15.248 1.00 0.00 C ATOM 0 HA PRO A 100 -3.245 7.042 12.071 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -5.497 7.326 13.673 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -4.514 5.878 13.756 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -4.515 8.273 15.583 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -4.408 6.573 15.997 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -2.179 8.184 15.923 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -2.086 6.473 15.555 1.00 0.00 H new ATOM 1664 N LEU A 101 -4.497 8.998 11.283 1.00 0.00 N ATOM 1665 CA LEU A 101 -5.007 10.276 10.706 1.00 0.00 C ATOM 1666 C LEU A 101 -6.526 10.332 10.891 1.00 0.00 C ATOM 1667 O LEU A 101 -7.140 11.374 10.768 1.00 0.00 O ATOM 1668 CB LEU A 101 -4.672 10.309 9.214 1.00 0.00 C ATOM 1669 CG LEU A 101 -3.161 10.130 9.020 1.00 0.00 C ATOM 1670 CD1 LEU A 101 -2.840 10.104 7.522 1.00 0.00 C ATOM 1671 CD2 LEU A 101 -2.403 11.285 9.693 1.00 0.00 C ATOM 0 H LEU A 101 -4.624 8.178 10.690 1.00 0.00 H new ATOM 0 HA LEU A 101 -4.547 11.128 11.206 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -5.212 9.518 8.693 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -4.995 11.255 8.780 1.00 0.00 H new ATOM 0 HG LEU A 101 -2.849 9.190 9.476 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -1.767 9.977 7.382 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -3.368 9.275 7.051 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -3.157 11.042 7.066 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -1.331 11.149 9.550 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -2.711 12.231 9.248 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -2.628 11.295 10.759 1.00 0.00 H new ATOM 1683 N LEU A 102 -7.135 9.210 11.184 1.00 0.00 N ATOM 1684 CA LEU A 102 -8.621 9.172 11.375 1.00 0.00 C ATOM 1685 C LEU A 102 -8.958 8.369 12.632 1.00 0.00 C ATOM 1686 O LEU A 102 -9.129 8.914 13.705 1.00 0.00 O ATOM 1687 CB LEU A 102 -9.266 8.490 10.165 1.00 0.00 C ATOM 1688 CG LEU A 102 -9.007 9.311 8.897 1.00 0.00 C ATOM 1689 CD1 LEU A 102 -9.513 8.526 7.680 1.00 0.00 C ATOM 1690 CD2 LEU A 102 -9.732 10.669 8.980 1.00 0.00 C ATOM 0 H LEU A 102 -6.665 8.312 11.300 1.00 0.00 H new ATOM 0 HA LEU A 102 -8.998 10.190 11.478 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -8.861 7.485 10.046 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -10.339 8.384 10.326 1.00 0.00 H new ATOM 0 HG LEU A 102 -7.937 9.495 8.800 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -9.332 9.104 6.774 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -8.985 7.575 7.615 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -10.582 8.341 7.785 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -9.539 11.241 8.072 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -10.804 10.503 9.083 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -9.366 11.225 9.844 1.00 0.00 H new ATOM 1702 N ASP A 103 -9.064 7.073 12.494 1.00 0.00 N ATOM 1703 CA ASP A 103 -9.399 6.212 13.663 1.00 0.00 C ATOM 1704 C ASP A 103 -10.718 6.688 14.275 1.00 0.00 C ATOM 1705 O ASP A 103 -10.892 6.706 15.479 1.00 0.00 O ATOM 1706 CB ASP A 103 -8.275 6.271 14.712 1.00 0.00 C ATOM 1707 CG ASP A 103 -7.117 5.373 14.268 1.00 0.00 C ATOM 1708 OD1 ASP A 103 -7.131 4.949 13.125 1.00 0.00 O ATOM 1709 OD2 ASP A 103 -6.243 5.120 15.080 1.00 0.00 O ATOM 0 H ASP A 103 -8.932 6.573 11.615 1.00 0.00 H new ATOM 0 HA ASP A 103 -9.503 5.179 13.332 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -7.928 7.297 14.832 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -8.651 5.946 15.682 1.00 0.00 H new ATOM 1714 N GLN A 104 -11.649 7.083 13.451 1.00 0.00 N ATOM 1715 CA GLN A 104 -12.953 7.567 13.980 1.00 0.00 C ATOM 1716 C GLN A 104 -13.753 6.402 14.560 1.00 0.00 C ATOM 1717 O GLN A 104 -14.146 5.483 13.867 1.00 0.00 O ATOM 1718 CB GLN A 104 -13.746 8.224 12.848 1.00 0.00 C ATOM 1719 CG GLN A 104 -13.037 9.507 12.409 1.00 0.00 C ATOM 1720 CD GLN A 104 -13.097 10.541 13.538 1.00 0.00 C ATOM 1721 OE1 GLN A 104 -12.262 10.543 14.422 1.00 0.00 O ATOM 1722 NE2 GLN A 104 -14.057 11.422 13.546 1.00 0.00 N ATOM 0 H GLN A 104 -11.562 7.091 12.435 1.00 0.00 H new ATOM 0 HA GLN A 104 -12.770 8.295 14.771 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -13.835 7.538 12.006 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -14.758 8.451 13.182 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -11.999 9.292 12.154 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -13.509 9.906 11.511 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -14.757 11.420 12.804 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -14.108 12.114 14.294 1.00 0.00 H new ATOM 1731 N ARG A 105 -14.002 6.449 15.834 1.00 0.00 N ATOM 1732 CA ARG A 105 -14.785 5.370 16.491 1.00 0.00 C ATOM 1733 C ARG A 105 -16.240 5.463 16.019 1.00 0.00 C ATOM 1734 O ARG A 105 -16.911 4.470 15.812 1.00 0.00 O ATOM 1735 CB ARG A 105 -14.729 5.560 18.007 1.00 0.00 C ATOM 1736 CG ARG A 105 -15.321 4.336 18.727 1.00 0.00 C ATOM 1737 CD ARG A 105 -14.241 3.261 18.917 1.00 0.00 C ATOM 1738 NE ARG A 105 -14.846 2.055 19.547 1.00 0.00 N ATOM 1739 CZ ARG A 105 -14.115 1.001 19.785 1.00 0.00 C ATOM 1740 NH1 ARG A 105 -12.841 1.002 19.495 1.00 0.00 N ATOM 1741 NH2 ARG A 105 -14.660 -0.054 20.321 1.00 0.00 N ATOM 0 H ARG A 105 -13.694 7.196 16.456 1.00 0.00 H new ATOM 0 HA ARG A 105 -14.372 4.395 16.232 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -13.697 5.710 18.322 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -15.282 6.457 18.288 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -15.723 4.634 19.695 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -16.151 3.930 18.148 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -13.800 2.999 17.955 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -13.436 3.646 19.543 1.00 0.00 H new ATOM 0 HE ARG A 105 -15.836 2.053 19.793 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -12.413 1.830 19.080 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -12.274 0.175 19.683 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -15.653 -0.053 20.552 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -14.093 -0.881 20.509 1.00 0.00 H new ATOM 1755 N TYR A 106 -16.734 6.661 15.868 1.00 0.00 N ATOM 1756 CA TYR A 106 -18.149 6.848 15.431 1.00 0.00 C ATOM 1757 C TYR A 106 -18.393 6.088 14.122 1.00 0.00 C ATOM 1758 O TYR A 106 -19.336 5.331 13.985 1.00 0.00 O ATOM 1759 CB TYR A 106 -18.396 8.342 15.179 1.00 0.00 C ATOM 1760 CG TYR A 106 -17.754 9.167 16.270 1.00 0.00 C ATOM 1761 CD1 TYR A 106 -18.425 9.375 17.477 1.00 0.00 C ATOM 1762 CD2 TYR A 106 -16.487 9.731 16.065 1.00 0.00 C ATOM 1763 CE1 TYR A 106 -17.831 10.147 18.485 1.00 0.00 C ATOM 1764 CE2 TYR A 106 -15.892 10.501 17.070 1.00 0.00 C ATOM 1765 CZ TYR A 106 -16.564 10.710 18.282 1.00 0.00 C ATOM 1766 OH TYR A 106 -15.977 11.468 19.276 1.00 0.00 O ATOM 0 H TYR A 106 -16.216 7.525 16.029 1.00 0.00 H new ATOM 0 HA TYR A 106 -18.819 6.472 16.205 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -17.988 8.627 14.209 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -19.467 8.541 15.145 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -19.401 8.941 17.634 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -15.970 9.571 15.130 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -18.350 10.308 19.418 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -14.915 10.934 16.912 1.00 0.00 H new ATOM 0 HH TYR A 106 -15.100 11.782 18.973 1.00 0.00 H new ATOM 1776 N LEU A 107 -17.543 6.294 13.160 1.00 0.00 N ATOM 1777 CA LEU A 107 -17.700 5.598 11.853 1.00 0.00 C ATOM 1778 C LEU A 107 -17.410 4.108 12.037 1.00 0.00 C ATOM 1779 O LEU A 107 -17.941 3.265 11.340 1.00 0.00 O ATOM 1780 CB LEU A 107 -16.720 6.196 10.844 1.00 0.00 C ATOM 1781 CG LEU A 107 -16.892 7.722 10.801 1.00 0.00 C ATOM 1782 CD1 LEU A 107 -15.885 8.325 9.816 1.00 0.00 C ATOM 1783 CD2 LEU A 107 -18.321 8.074 10.360 1.00 0.00 C ATOM 0 H LEU A 107 -16.739 6.919 13.222 1.00 0.00 H new ATOM 0 HA LEU A 107 -18.718 5.724 11.485 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -15.697 5.943 11.122 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -16.896 5.772 9.855 1.00 0.00 H new ATOM 0 HG LEU A 107 -16.714 8.131 11.796 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -16.008 9.408 9.787 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -14.872 8.084 10.138 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -16.057 7.913 8.822 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -18.437 9.157 10.332 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -18.507 7.663 9.368 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -19.035 7.652 11.067 1.00 0.00 H new ATOM 1795 N LEU A 108 -16.550 3.778 12.958 1.00 0.00 N ATOM 1796 CA LEU A 108 -16.208 2.343 13.170 1.00 0.00 C ATOM 1797 C LEU A 108 -17.462 1.563 13.601 1.00 0.00 C ATOM 1798 O LEU A 108 -17.739 0.488 13.105 1.00 0.00 O ATOM 1799 CB LEU A 108 -15.125 2.242 14.257 1.00 0.00 C ATOM 1800 CG LEU A 108 -14.222 1.034 13.986 1.00 0.00 C ATOM 1801 CD1 LEU A 108 -13.203 0.890 15.117 1.00 0.00 C ATOM 1802 CD2 LEU A 108 -15.069 -0.241 13.883 1.00 0.00 C ATOM 0 H LEU A 108 -16.070 4.436 13.572 1.00 0.00 H new ATOM 0 HA LEU A 108 -15.834 1.914 12.241 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -14.530 3.155 14.275 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -15.590 2.146 15.238 1.00 0.00 H new ATOM 0 HG LEU A 108 -13.695 1.186 13.044 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -12.562 0.030 14.922 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -12.593 1.792 15.174 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -13.726 0.745 16.062 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -14.419 -1.095 13.690 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -15.606 -0.398 14.818 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -15.784 -0.138 13.067 1.00 0.00 H new ATOM 1814 N THR A 109 -18.221 2.103 14.524 1.00 0.00 N ATOM 1815 CA THR A 109 -19.462 1.410 15.000 1.00 0.00 C ATOM 1816 C THR A 109 -20.612 2.422 15.046 1.00 0.00 C ATOM 1817 O THR A 109 -21.742 2.124 14.704 1.00 0.00 O ATOM 1818 CB THR A 109 -19.222 0.851 16.406 1.00 0.00 C ATOM 1819 OG1 THR A 109 -19.015 1.929 17.306 1.00 0.00 O ATOM 1820 CG2 THR A 109 -17.986 -0.057 16.405 1.00 0.00 C ATOM 0 H THR A 109 -18.033 3.000 14.972 1.00 0.00 H new ATOM 0 HA THR A 109 -19.714 0.595 14.322 1.00 0.00 H new ATOM 0 HB THR A 109 -20.090 0.270 16.717 1.00 0.00 H new ATOM 0 HG1 THR A 109 -18.863 1.577 18.208 1.00 0.00 H new ATOM 0 HG21 THR A 109 -17.823 -0.450 17.408 1.00 0.00 H new ATOM 0 HG22 THR A 109 -18.143 -0.884 15.712 1.00 0.00 H new ATOM 0 HG23 THR A 109 -17.113 0.517 16.094 1.00 0.00 H new ATOM 1828 N GLY A 110 -20.323 3.627 15.456 1.00 0.00 N ATOM 1829 CA GLY A 110 -21.381 4.678 15.516 1.00 0.00 C ATOM 1830 C GLY A 110 -22.547 4.229 16.405 1.00 0.00 C ATOM 1831 O GLY A 110 -22.362 3.790 17.524 1.00 0.00 O ATOM 0 H GLY A 110 -19.396 3.931 15.753 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -20.958 5.604 15.905 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -21.745 4.891 14.511 1.00 0.00 H new ATOM 1835 N GLY A 111 -23.749 4.353 15.910 1.00 0.00 N ATOM 1836 CA GLY A 111 -24.944 3.954 16.714 1.00 0.00 C ATOM 1837 C GLY A 111 -25.269 5.052 17.733 1.00 0.00 C ATOM 1838 O GLY A 111 -25.809 4.794 18.792 1.00 0.00 O ATOM 0 H GLY A 111 -23.957 4.715 14.979 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -25.798 3.789 16.057 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -24.751 3.012 17.228 1.00 0.00 H new ATOM 1842 N GLN A 112 -24.932 6.272 17.424 1.00 0.00 N ATOM 1843 CA GLN A 112 -25.201 7.396 18.372 1.00 0.00 C ATOM 1844 C GLN A 112 -26.608 7.276 18.977 1.00 0.00 C ATOM 1845 O GLN A 112 -27.481 6.617 18.445 1.00 0.00 O ATOM 1846 CB GLN A 112 -25.080 8.724 17.624 1.00 0.00 C ATOM 1847 CG GLN A 112 -23.616 8.971 17.248 1.00 0.00 C ATOM 1848 CD GLN A 112 -23.233 8.076 16.068 1.00 0.00 C ATOM 1849 OE1 GLN A 112 -22.902 6.920 16.248 1.00 0.00 O ATOM 1850 NE2 GLN A 112 -23.265 8.563 14.858 1.00 0.00 N ATOM 0 H GLN A 112 -24.479 6.544 16.551 1.00 0.00 H new ATOM 0 HA GLN A 112 -24.472 7.353 19.181 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -25.698 8.705 16.726 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -25.448 9.539 18.247 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -23.469 10.019 16.986 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -22.970 8.762 18.101 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -23.543 9.533 14.706 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -23.013 7.974 14.064 1.00 0.00 H new ATOM 1859 N LEU A 113 -26.820 7.912 20.100 1.00 0.00 N ATOM 1860 CA LEU A 113 -28.151 7.843 20.768 1.00 0.00 C ATOM 1861 C LEU A 113 -29.176 8.683 19.999 1.00 0.00 C ATOM 1862 O LEU A 113 -28.936 9.828 19.665 1.00 0.00 O ATOM 1863 CB LEU A 113 -28.017 8.371 22.201 1.00 0.00 C ATOM 1864 CG LEU A 113 -29.382 8.366 22.910 1.00 0.00 C ATOM 1865 CD1 LEU A 113 -29.981 6.951 22.902 1.00 0.00 C ATOM 1866 CD2 LEU A 113 -29.198 8.839 24.357 1.00 0.00 C ATOM 0 H LEU A 113 -26.124 8.479 20.584 1.00 0.00 H new ATOM 0 HA LEU A 113 -28.494 6.808 20.785 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -27.310 7.755 22.757 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -27.613 9.383 22.185 1.00 0.00 H new ATOM 0 HG LEU A 113 -30.062 9.037 22.384 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -30.947 6.962 23.407 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -30.113 6.618 21.873 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -29.308 6.268 23.421 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -30.162 8.838 24.866 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -28.514 8.167 24.875 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -28.787 9.849 24.360 1.00 0.00 H new ATOM 1878 N GLU A 114 -30.323 8.115 19.725 1.00 0.00 N ATOM 1879 CA GLU A 114 -31.390 8.854 18.983 1.00 0.00 C ATOM 1880 C GLU A 114 -32.551 9.177 19.929 1.00 0.00 C ATOM 1881 O GLU A 114 -33.103 8.308 20.577 1.00 0.00 O ATOM 1882 CB GLU A 114 -31.887 7.985 17.832 1.00 0.00 C ATOM 1883 CG GLU A 114 -32.924 8.762 17.022 1.00 0.00 C ATOM 1884 CD GLU A 114 -33.357 7.932 15.813 1.00 0.00 C ATOM 1885 OE1 GLU A 114 -32.673 6.973 15.500 1.00 0.00 O ATOM 1886 OE2 GLU A 114 -34.368 8.273 15.220 1.00 0.00 O ATOM 0 H GLU A 114 -30.568 7.160 19.987 1.00 0.00 H new ATOM 0 HA GLU A 114 -30.986 9.787 18.590 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -31.052 7.696 17.193 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -32.326 7.065 18.219 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -33.788 8.994 17.645 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -32.505 9.713 16.692 1.00 0.00 H new ATOM 1893 N HIS A 115 -32.924 10.427 20.009 1.00 0.00 N ATOM 1894 CA HIS A 115 -34.046 10.823 20.908 1.00 0.00 C ATOM 1895 C HIS A 115 -35.387 10.607 20.195 1.00 0.00 C ATOM 1896 O HIS A 115 -35.692 11.244 19.204 1.00 0.00 O ATOM 1897 CB HIS A 115 -33.889 12.300 21.278 1.00 0.00 C ATOM 1898 CG HIS A 115 -32.599 12.488 22.031 1.00 0.00 C ATOM 1899 ND1 HIS A 115 -32.434 12.054 23.337 1.00 0.00 N ATOM 1900 CD2 HIS A 115 -31.400 13.057 21.673 1.00 0.00 C ATOM 1901 CE1 HIS A 115 -31.181 12.367 23.714 1.00 0.00 C ATOM 1902 NE2 HIS A 115 -30.508 12.980 22.737 1.00 0.00 N ATOM 0 H HIS A 115 -32.498 11.193 19.488 1.00 0.00 H new ATOM 0 HA HIS A 115 -34.025 10.212 21.811 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -33.891 12.915 20.378 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -34.731 12.626 21.889 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -31.183 13.497 20.711 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -30.769 12.149 24.688 1.00 0.00 H new ATOM 0 HE2 HIS A 115 -29.546 13.319 22.765 1.00 0.00 H new ATOM 1910 N HIS A 116 -36.187 9.711 20.704 1.00 0.00 N ATOM 1911 CA HIS A 116 -37.516 9.437 20.084 1.00 0.00 C ATOM 1912 C HIS A 116 -38.428 10.657 20.251 1.00 0.00 C ATOM 1913 O HIS A 116 -39.160 11.031 19.353 1.00 0.00 O ATOM 1914 CB HIS A 116 -38.150 8.237 20.791 1.00 0.00 C ATOM 1915 CG HIS A 116 -37.363 6.991 20.489 1.00 0.00 C ATOM 1916 ND1 HIS A 116 -37.418 6.363 19.257 1.00 0.00 N ATOM 1917 CD2 HIS A 116 -36.499 6.243 21.253 1.00 0.00 C ATOM 1918 CE1 HIS A 116 -36.612 5.287 19.312 1.00 0.00 C ATOM 1919 NE2 HIS A 116 -36.027 5.167 20.507 1.00 0.00 N ATOM 0 H HIS A 116 -35.976 9.152 21.530 1.00 0.00 H new ATOM 0 HA HIS A 116 -37.388 9.226 19.022 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -38.176 8.410 21.867 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -39.182 8.114 20.463 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -36.228 6.458 22.276 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -36.457 4.604 18.490 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -35.375 4.443 20.808 1.00 0.00 H new ATOM 1927 N HIS A 117 -38.396 11.282 21.398 1.00 0.00 N ATOM 1928 CA HIS A 117 -39.269 12.474 21.621 1.00 0.00 C ATOM 1929 C HIS A 117 -38.649 13.392 22.682 1.00 0.00 C ATOM 1930 O HIS A 117 -37.753 13.006 23.406 1.00 0.00 O ATOM 1931 CB HIS A 117 -40.657 12.021 22.086 1.00 0.00 C ATOM 1932 CG HIS A 117 -40.559 11.309 23.411 1.00 0.00 C ATOM 1933 ND1 HIS A 117 -39.510 10.712 24.071 1.00 0.00 N flip ATOM 1934 CD2 HIS A 117 -41.664 11.136 24.231 1.00 0.00 C flip ATOM 1935 CE1 HIS A 117 -39.958 10.178 25.275 1.00 0.00 C flip ATOM 1936 NE2 HIS A 117 -41.261 10.461 25.322 1.00 0.00 N flip ATOM 0 H HIS A 117 -37.806 11.021 22.188 1.00 0.00 H new ATOM 0 HA HIS A 117 -39.361 13.022 20.684 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -41.317 12.884 22.177 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -41.099 11.359 21.342 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -42.667 11.481 24.030 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -39.375 9.648 26.014 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -41.876 10.198 26.092 1.00 0.00 H new ATOM 1944 N HIS A 118 -39.127 14.612 22.775 1.00 0.00 N ATOM 1945 CA HIS A 118 -38.578 15.574 23.782 1.00 0.00 C ATOM 1946 C HIS A 118 -39.565 15.720 24.948 1.00 0.00 C ATOM 1947 O HIS A 118 -40.737 15.986 24.759 1.00 0.00 O ATOM 1948 CB HIS A 118 -38.368 16.934 23.112 1.00 0.00 C ATOM 1949 CG HIS A 118 -37.274 16.828 22.080 1.00 0.00 C ATOM 1950 ND1 HIS A 118 -37.537 16.578 20.740 1.00 0.00 N ATOM 1951 CD2 HIS A 118 -35.909 16.946 22.177 1.00 0.00 C ATOM 1952 CE1 HIS A 118 -36.355 16.558 20.092 1.00 0.00 C ATOM 1953 NE2 HIS A 118 -35.332 16.777 20.922 1.00 0.00 N ATOM 0 H HIS A 118 -39.878 14.983 22.193 1.00 0.00 H new ATOM 0 HA HIS A 118 -37.627 15.202 24.164 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -39.294 17.266 22.642 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -38.105 17.682 23.860 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -35.365 17.141 23.090 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -36.248 16.386 19.031 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -34.340 16.813 20.687 1.00 0.00 H new ATOM 1961 N HIS A 119 -39.093 15.537 26.155 1.00 0.00 N ATOM 1962 CA HIS A 119 -39.988 15.649 27.345 1.00 0.00 C ATOM 1963 C HIS A 119 -40.184 17.117 27.730 1.00 0.00 C ATOM 1964 O HIS A 119 -39.272 17.919 27.676 1.00 0.00 O ATOM 1965 CB HIS A 119 -39.370 14.883 28.519 1.00 0.00 C ATOM 1966 CG HIS A 119 -38.051 15.499 28.905 1.00 0.00 C ATOM 1967 ND1 HIS A 119 -36.850 15.087 28.346 1.00 0.00 N ATOM 1968 CD2 HIS A 119 -37.726 16.484 29.804 1.00 0.00 C ATOM 1969 CE1 HIS A 119 -35.869 15.816 28.909 1.00 0.00 C ATOM 1970 NE2 HIS A 119 -36.348 16.683 29.806 1.00 0.00 N ATOM 0 H HIS A 119 -38.121 15.314 26.368 1.00 0.00 H new ATOM 0 HA HIS A 119 -40.960 15.222 27.099 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -40.050 14.898 29.371 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -39.225 13.838 28.245 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -38.433 17.023 30.417 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -34.822 15.713 28.666 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -35.818 17.347 30.370 1.00 0.00 H new ATOM 1978 N HIS A 120 -41.379 17.468 28.121 1.00 0.00 N ATOM 1979 CA HIS A 120 -41.668 18.875 28.515 1.00 0.00 C ATOM 1980 C HIS A 120 -40.846 19.252 29.752 1.00 0.00 C ATOM 1981 O HIS A 120 -40.596 20.433 29.937 1.00 0.00 O ATOM 1982 CB HIS A 120 -43.158 18.998 28.833 1.00 0.00 C ATOM 1983 CG HIS A 120 -43.962 18.676 27.602 1.00 0.00 C ATOM 1984 ND1 HIS A 120 -44.038 19.540 26.523 1.00 0.00 N ATOM 1985 CD2 HIS A 120 -44.733 17.587 27.265 1.00 0.00 C ATOM 1986 CE1 HIS A 120 -44.828 18.966 25.597 1.00 0.00 C ATOM 1987 NE2 HIS A 120 -45.278 17.774 25.999 1.00 0.00 N ATOM 1988 OXT HIS A 120 -40.484 18.355 30.495 1.00 0.00 O ATOM 0 H HIS A 120 -42.175 16.833 28.185 1.00 0.00 H new ATOM 0 HA HIS A 120 -41.402 19.547 27.699 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -43.425 18.319 29.643 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -43.386 20.008 29.175 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -44.891 16.719 27.889 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -45.069 19.414 24.645 1.00 0.00 H new ATOM 0 HE2 HIS A 120 -45.890 17.138 25.488 1.00 0.00 H new TER 1996 HIS A 120