USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 617 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 45 GLN : amide:sc= -4.33! C(o=-4.3!,f=-9.4!) USER MOD Set 1.2: A 49 ASN :FLIP amide:sc= -0.558 F(o=-6.4,f=-4.3) USER MOD Set 1.3: A 88 SER OG : rot -14:sc= 0.552 USER MOD Set 2.1: A 35 HIS : no HE2:sc= -2.03 K(o=-1.1,f=-8.8!) USER MOD Set 2.2: A 79 TYR OH : rot -140:sc= 0.913 USER MOD Set 3.1: A 16 TYR OH : rot -163:sc= -0.377 USER MOD Set 3.2: A 68 SER OG : rot -123:sc= 0.105 USER MOD Set 4.1: A 62 ASN :FLIP amide:sc= -0.705 F(o=-8.1,f=-7.3) USER MOD Set 4.2: A 65 ASN : amide:sc= -6.6! C(o=-7.3!,f=-10!) USER MOD Single : A 2 ASN :FLIP amide:sc= -0.539! C(o=-1.4!,f=-0.54!) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 SER OG : rot 66:sc= 0.651 USER MOD Single : A 9 LYS NZ :NH3+ 170:sc= -2.85! (180deg=-3.32!) USER MOD Single : A 10 MET CE :methyl 164:sc= -0.167 (180deg=-0.969) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN :FLIP amide:sc= -3.61 F(o=-5.2!,f=-3.6) USER MOD Single : A 24 SER OG : rot 180:sc= 0.0169 USER MOD Single : A 29 ASN : amide:sc= -0.317 X(o=-0.32,f=-0.014) USER MOD Single : A 36 ASN : amide:sc= 0.631 K(o=0.63,f=-0.13) USER MOD Single : A 37 GLN : amide:sc= 0.784 K(o=0.78,f=-0.22) USER MOD Single : A 39 GLN : amide:sc= 1.2 K(o=1.2,f=-0.02) USER MOD Single : A 40 SER OG : rot -41:sc= 0.614 USER MOD Single : A 41 SER OG : rot 180:sc= 0.0153! USER MOD Single : A 46 THR OG1 : rot 104:sc= 1.17 USER MOD Single : A 52 LYS NZ :NH3+ -146:sc= 1.2 (180deg=-0.19) USER MOD Single : A 59 HIS : no HD1:sc= -0.146 K(o=-0.15,f=-0.83) USER MOD Single : A 60 ASN : amide:sc= -0.436! X(o=-0.44!,f=-0.4) USER MOD Single : A 64 ASN :FLIP amide:sc= -0.622 F(o=-3.2!,f=-0.62) USER MOD Single : A 71 SER OG : rot 180:sc= -0.145 USER MOD Single : A 72 LYS NZ :NH3+ -111:sc= 0.719 (180deg=-2.28!) USER MOD Single : A 74 ASN : amide:sc=-0.00306 X(o=-0.0031,f=0) USER MOD Single : A 76 ASN :FLIP amide:sc= -1.08 F(o=-2.2!,f=-1.1) USER MOD Single : A 80 THR OG1 : rot -3:sc= 0.881 USER MOD Single : A 82 SER OG : rot 28:sc= 0.747 USER MOD ----------------------------------------------------------------- ATOM 22 N ASN A 2 -6.301 -0.611 10.146 1.00 0.00 N ATOM 23 CA ASN A 2 -6.814 0.771 10.386 1.00 0.00 C ATOM 24 C ASN A 2 -5.919 1.812 9.713 1.00 0.00 C ATOM 25 O ASN A 2 -4.768 1.543 9.437 1.00 0.00 O ATOM 26 CB ASN A 2 -6.858 0.962 11.923 1.00 0.00 C ATOM 27 CG ASN A 2 -7.401 -0.296 12.606 1.00 0.00 C ATOM 28 OD1 ASN A 2 -8.344 -0.183 13.467 1.00 0.00 O flip ATOM 29 ND2 ASN A 2 -6.986 -1.419 12.391 1.00 0.00 N flip ATOM 0 HA ASN A 2 -7.806 0.905 9.955 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -5.858 1.182 12.296 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -7.487 1.817 12.171 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -6.236 -1.565 11.715 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -7.388 -2.215 12.887 1.00 0.00 H new ATOM 36 N CYS A 3 -6.498 2.960 9.462 1.00 0.00 N ATOM 37 CA CYS A 3 -5.769 4.113 8.819 1.00 0.00 C ATOM 38 C CYS A 3 -4.336 4.135 9.410 1.00 0.00 C ATOM 39 O CYS A 3 -3.313 4.269 8.763 1.00 0.00 O ATOM 40 CB CYS A 3 -6.604 5.353 9.159 1.00 0.00 C ATOM 41 SG CYS A 3 -6.342 6.812 8.127 1.00 0.00 S ATOM 0 H CYS A 3 -7.475 3.157 9.681 1.00 0.00 H new ATOM 0 HA CYS A 3 -5.660 4.052 7.736 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -7.658 5.080 9.102 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -6.401 5.627 10.194 1.00 0.00 H new ATOM 46 N GLY A 4 -4.357 3.977 10.709 1.00 0.00 N ATOM 47 CA GLY A 4 -3.080 3.952 11.476 1.00 0.00 C ATOM 48 C GLY A 4 -2.388 2.642 11.123 1.00 0.00 C ATOM 49 O GLY A 4 -1.276 2.735 10.683 1.00 0.00 O ATOM 0 H GLY A 4 -5.202 3.865 11.269 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.453 4.804 11.214 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.270 4.014 12.548 1.00 0.00 H new ATOM 53 N GLN A 5 -2.963 1.471 11.307 1.00 0.00 N ATOM 54 CA GLN A 5 -2.253 0.166 10.926 1.00 0.00 C ATOM 55 C GLN A 5 -1.377 0.401 9.672 1.00 0.00 C ATOM 56 O GLN A 5 -0.203 0.096 9.570 1.00 0.00 O ATOM 57 CB GLN A 5 -3.293 -0.883 10.578 1.00 0.00 C ATOM 58 CG GLN A 5 -2.676 -2.211 10.061 1.00 0.00 C ATOM 59 CD GLN A 5 -2.582 -3.205 11.183 1.00 0.00 C ATOM 60 OE1 GLN A 5 -3.568 -3.832 11.490 1.00 0.00 O ATOM 61 NE2 GLN A 5 -1.473 -3.390 11.818 1.00 0.00 N ATOM 0 H GLN A 5 -3.894 1.347 11.704 1.00 0.00 H new ATOM 0 HA GLN A 5 -1.637 -0.163 11.763 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -3.899 -1.091 11.460 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -3.964 -0.482 9.818 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -3.288 -2.616 9.255 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -1.686 -2.024 9.646 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -0.642 -2.860 11.557 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -1.428 -4.066 12.580 1.00 0.00 H new ATOM 70 N VAL A 6 -2.110 0.966 8.752 1.00 0.00 N ATOM 71 CA VAL A 6 -1.586 1.337 7.427 1.00 0.00 C ATOM 72 C VAL A 6 -0.333 2.170 7.586 1.00 0.00 C ATOM 73 O VAL A 6 0.729 1.646 7.353 1.00 0.00 O ATOM 74 CB VAL A 6 -2.722 2.100 6.682 1.00 0.00 C ATOM 75 CG1 VAL A 6 -2.212 3.333 5.956 1.00 0.00 C ATOM 76 CG2 VAL A 6 -3.356 1.241 5.634 1.00 0.00 C ATOM 0 H VAL A 6 -3.096 1.191 8.882 1.00 0.00 H new ATOM 0 HA VAL A 6 -1.301 0.462 6.842 1.00 0.00 H new ATOM 0 HB VAL A 6 -3.433 2.380 7.459 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.042 3.829 5.453 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -1.762 4.018 6.674 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -1.465 3.038 5.219 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -4.145 1.802 5.132 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.603 0.941 4.905 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.783 0.353 6.101 1.00 0.00 H new ATOM 86 N ASP A 7 -0.440 3.401 7.993 1.00 0.00 N ATOM 87 CA ASP A 7 0.786 4.231 8.136 1.00 0.00 C ATOM 88 C ASP A 7 1.826 3.541 9.036 1.00 0.00 C ATOM 89 O ASP A 7 2.997 3.538 8.722 1.00 0.00 O ATOM 90 CB ASP A 7 0.223 5.563 8.617 1.00 0.00 C ATOM 91 CG ASP A 7 1.336 6.583 8.845 1.00 0.00 C ATOM 92 OD1 ASP A 7 1.988 6.479 9.871 1.00 0.00 O ATOM 93 OD2 ASP A 7 1.486 7.412 7.971 1.00 0.00 O ATOM 0 H ASP A 7 -1.316 3.866 8.231 1.00 0.00 H new ATOM 0 HA ASP A 7 1.370 4.380 7.228 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -0.483 5.949 7.882 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -0.332 5.413 9.543 1.00 0.00 H new ATOM 98 N SER A 8 1.356 2.973 10.107 1.00 0.00 N ATOM 99 CA SER A 8 2.191 2.238 11.110 1.00 0.00 C ATOM 100 C SER A 8 3.100 1.226 10.412 1.00 0.00 C ATOM 101 O SER A 8 4.247 1.091 10.782 1.00 0.00 O ATOM 102 CB SER A 8 1.323 1.430 12.098 1.00 0.00 C ATOM 103 OG SER A 8 0.413 2.356 12.679 1.00 0.00 O ATOM 0 H SER A 8 0.364 2.988 10.346 1.00 0.00 H new ATOM 0 HA SER A 8 2.765 2.997 11.641 1.00 0.00 H new ATOM 0 HB2 SER A 8 0.789 0.631 11.583 1.00 0.00 H new ATOM 0 HB3 SER A 8 1.940 0.959 12.863 1.00 0.00 H new ATOM 0 HG SER A 8 -0.204 2.684 11.991 1.00 0.00 H new ATOM 109 N LYS A 9 2.538 0.566 9.424 1.00 0.00 N ATOM 110 CA LYS A 9 3.272 -0.477 8.636 1.00 0.00 C ATOM 111 C LYS A 9 3.967 0.171 7.441 1.00 0.00 C ATOM 112 O LYS A 9 5.164 0.109 7.247 1.00 0.00 O ATOM 113 CB LYS A 9 2.228 -1.507 8.156 1.00 0.00 C ATOM 114 CG LYS A 9 2.826 -2.865 7.657 1.00 0.00 C ATOM 115 CD LYS A 9 4.230 -2.773 6.963 1.00 0.00 C ATOM 116 CE LYS A 9 4.340 -2.277 5.554 1.00 0.00 C ATOM 117 NZ LYS A 9 5.822 -2.057 5.359 1.00 0.00 N ATOM 0 H LYS A 9 1.574 0.712 9.124 1.00 0.00 H new ATOM 0 HA LYS A 9 4.034 -0.962 9.245 1.00 0.00 H new ATOM 0 HB2 LYS A 9 1.536 -1.710 8.973 1.00 0.00 H new ATOM 0 HB3 LYS A 9 1.646 -1.064 7.348 1.00 0.00 H new ATOM 0 HG2 LYS A 9 2.905 -3.541 8.508 1.00 0.00 H new ATOM 0 HG3 LYS A 9 2.123 -3.315 6.956 1.00 0.00 H new ATOM 0 HD2 LYS A 9 4.856 -2.130 7.582 1.00 0.00 H new ATOM 0 HD3 LYS A 9 4.671 -3.770 6.991 1.00 0.00 H new ATOM 0 HE2 LYS A 9 3.947 -3.004 4.843 1.00 0.00 H new ATOM 0 HE3 LYS A 9 3.777 -1.355 5.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 6.016 -1.872 4.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 6.130 -1.242 5.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 6.342 -2.905 5.662 1.00 0.00 H new ATOM 131 N MET A 10 3.157 0.773 6.637 1.00 0.00 N ATOM 132 CA MET A 10 3.636 1.465 5.416 1.00 0.00 C ATOM 133 C MET A 10 4.812 2.465 5.626 1.00 0.00 C ATOM 134 O MET A 10 5.794 2.359 4.916 1.00 0.00 O ATOM 135 CB MET A 10 2.376 2.125 4.821 1.00 0.00 C ATOM 136 CG MET A 10 1.397 1.040 4.225 1.00 0.00 C ATOM 137 SD MET A 10 0.869 -0.417 5.172 1.00 0.00 S ATOM 138 CE MET A 10 1.077 -1.762 3.968 1.00 0.00 C ATOM 0 H MET A 10 2.148 0.818 6.776 1.00 0.00 H new ATOM 0 HA MET A 10 4.094 0.747 4.735 1.00 0.00 H new ATOM 0 HB2 MET A 10 1.863 2.698 5.593 1.00 0.00 H new ATOM 0 HB3 MET A 10 2.664 2.828 4.040 1.00 0.00 H new ATOM 0 HG2 MET A 10 0.489 1.566 3.929 1.00 0.00 H new ATOM 0 HG3 MET A 10 1.861 0.668 3.312 1.00 0.00 H new ATOM 0 HE1 MET A 10 1.066 -2.720 4.487 1.00 0.00 H new ATOM 0 HE2 MET A 10 0.262 -1.732 3.244 1.00 0.00 H new ATOM 0 HE3 MET A 10 2.028 -1.642 3.449 1.00 0.00 H new ATOM 148 N LYS A 11 4.720 3.394 6.555 1.00 0.00 N ATOM 149 CA LYS A 11 5.809 4.393 6.807 1.00 0.00 C ATOM 150 C LYS A 11 7.271 3.981 6.428 1.00 0.00 C ATOM 151 O LYS A 11 7.850 4.597 5.549 1.00 0.00 O ATOM 152 CB LYS A 11 5.586 4.729 8.274 1.00 0.00 C ATOM 153 CG LYS A 11 6.581 5.740 8.840 1.00 0.00 C ATOM 154 CD LYS A 11 6.185 5.991 10.320 1.00 0.00 C ATOM 155 CE LYS A 11 4.690 6.336 10.415 1.00 0.00 C ATOM 156 NZ LYS A 11 4.369 6.968 11.738 1.00 0.00 N ATOM 0 H LYS A 11 3.910 3.501 7.165 1.00 0.00 H new ATOM 0 HA LYS A 11 5.735 5.250 6.137 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.576 5.121 8.396 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.645 3.811 8.859 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.599 5.357 8.773 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.552 6.669 8.271 1.00 0.00 H new ATOM 0 HD2 LYS A 11 6.401 5.105 10.918 1.00 0.00 H new ATOM 0 HD3 LYS A 11 6.781 6.806 10.731 1.00 0.00 H new ATOM 0 HE2 LYS A 11 4.417 7.015 9.607 1.00 0.00 H new ATOM 0 HE3 LYS A 11 4.095 5.432 10.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 3.354 7.192 11.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 4.609 6.308 12.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 4.921 7.842 11.848 1.00 0.00 H new ATOM 170 N PRO A 12 7.860 2.972 7.045 1.00 0.00 N ATOM 171 CA PRO A 12 9.223 2.492 6.654 1.00 0.00 C ATOM 172 C PRO A 12 9.351 2.310 5.126 1.00 0.00 C ATOM 173 O PRO A 12 10.320 2.728 4.508 1.00 0.00 O ATOM 174 CB PRO A 12 9.401 1.195 7.486 1.00 0.00 C ATOM 175 CG PRO A 12 7.952 0.804 7.873 1.00 0.00 C ATOM 176 CD PRO A 12 7.287 2.155 8.151 1.00 0.00 C ATOM 0 HA PRO A 12 10.022 3.202 6.869 1.00 0.00 H new ATOM 0 HB2 PRO A 12 9.886 0.410 6.905 1.00 0.00 H new ATOM 0 HB3 PRO A 12 10.018 1.367 8.368 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.451 0.267 7.068 1.00 0.00 H new ATOM 0 HG3 PRO A 12 7.930 0.157 8.750 1.00 0.00 H new ATOM 0 HD2 PRO A 12 6.199 2.099 8.105 1.00 0.00 H new ATOM 0 HD3 PRO A 12 7.544 2.549 9.134 1.00 0.00 H new ATOM 184 N CYS A 13 8.369 1.698 4.519 1.00 0.00 N ATOM 185 CA CYS A 13 8.487 1.523 3.045 1.00 0.00 C ATOM 186 C CYS A 13 8.233 2.886 2.360 1.00 0.00 C ATOM 187 O CYS A 13 8.752 3.188 1.304 1.00 0.00 O ATOM 188 CB CYS A 13 7.494 0.516 2.549 1.00 0.00 C ATOM 189 SG CYS A 13 8.265 -1.031 2.015 1.00 0.00 S ATOM 0 H CYS A 13 7.526 1.327 4.957 1.00 0.00 H new ATOM 0 HA CYS A 13 9.487 1.162 2.807 1.00 0.00 H new ATOM 0 HB2 CYS A 13 6.774 0.303 3.340 1.00 0.00 H new ATOM 0 HB3 CYS A 13 6.936 0.944 1.716 1.00 0.00 H new ATOM 194 N LEU A 14 7.405 3.697 2.974 1.00 0.00 N ATOM 195 CA LEU A 14 7.157 5.047 2.348 1.00 0.00 C ATOM 196 C LEU A 14 8.581 5.591 2.180 1.00 0.00 C ATOM 197 O LEU A 14 8.946 6.126 1.155 1.00 0.00 O ATOM 198 CB LEU A 14 6.378 5.986 3.257 1.00 0.00 C ATOM 199 CG LEU A 14 5.055 5.359 3.666 1.00 0.00 C ATOM 200 CD1 LEU A 14 4.245 6.466 4.304 1.00 0.00 C ATOM 201 CD2 LEU A 14 4.285 4.756 2.499 1.00 0.00 C ATOM 0 H LEU A 14 6.907 3.502 3.843 1.00 0.00 H new ATOM 0 HA LEU A 14 6.569 4.969 1.434 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.968 6.214 4.144 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.196 6.930 2.744 1.00 0.00 H new ATOM 0 HG LEU A 14 5.244 4.529 4.347 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.278 6.074 4.620 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.780 6.855 5.171 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.093 7.268 3.582 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.352 4.326 2.862 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.066 5.533 1.767 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.886 3.976 2.031 1.00 0.00 H new ATOM 213 N THR A 15 9.379 5.440 3.212 1.00 0.00 N ATOM 214 CA THR A 15 10.791 5.920 3.116 1.00 0.00 C ATOM 215 C THR A 15 11.303 5.229 1.827 1.00 0.00 C ATOM 216 O THR A 15 11.765 5.888 0.919 1.00 0.00 O ATOM 217 CB THR A 15 11.478 5.489 4.419 1.00 0.00 C ATOM 218 OG1 THR A 15 11.904 6.710 4.991 1.00 0.00 O ATOM 219 CG2 THR A 15 12.721 4.741 4.150 1.00 0.00 C ATOM 0 H THR A 15 9.118 5.013 4.101 1.00 0.00 H new ATOM 0 HA THR A 15 10.962 6.993 3.033 1.00 0.00 H new ATOM 0 HB THR A 15 10.808 4.876 5.022 1.00 0.00 H new ATOM 0 HG1 THR A 15 12.359 6.532 5.841 1.00 0.00 H new ATOM 0 HG21 THR A 15 13.182 4.451 5.094 1.00 0.00 H new ATOM 0 HG22 THR A 15 12.490 3.848 3.569 1.00 0.00 H new ATOM 0 HG23 THR A 15 13.410 5.371 3.588 1.00 0.00 H new ATOM 227 N TYR A 16 11.212 3.926 1.763 1.00 0.00 N ATOM 228 CA TYR A 16 11.668 3.164 0.529 1.00 0.00 C ATOM 229 C TYR A 16 11.198 3.847 -0.799 1.00 0.00 C ATOM 230 O TYR A 16 12.058 4.206 -1.577 1.00 0.00 O ATOM 231 CB TYR A 16 11.135 1.728 0.759 1.00 0.00 C ATOM 232 CG TYR A 16 10.813 0.840 -0.444 1.00 0.00 C ATOM 233 CD1 TYR A 16 11.779 0.432 -1.330 1.00 0.00 C ATOM 234 CD2 TYR A 16 9.503 0.410 -0.618 1.00 0.00 C ATOM 235 CE1 TYR A 16 11.435 -0.401 -2.371 1.00 0.00 C ATOM 236 CE2 TYR A 16 9.161 -0.425 -1.661 1.00 0.00 C ATOM 237 CZ TYR A 16 10.141 -0.824 -2.528 1.00 0.00 C ATOM 238 OH TYR A 16 9.802 -1.677 -3.540 1.00 0.00 O ATOM 0 H TYR A 16 10.841 3.340 2.511 1.00 0.00 H new ATOM 0 HA TYR A 16 12.750 3.152 0.401 1.00 0.00 H new ATOM 0 HB2 TYR A 16 11.871 1.200 1.366 1.00 0.00 H new ATOM 0 HB3 TYR A 16 10.227 1.809 1.357 1.00 0.00 H new ATOM 0 HD1 TYR A 16 12.801 0.762 -1.211 1.00 0.00 H new ATOM 0 HD2 TYR A 16 8.741 0.735 0.075 1.00 0.00 H new ATOM 0 HE1 TYR A 16 12.192 -0.724 -3.070 1.00 0.00 H new ATOM 0 HE2 TYR A 16 8.141 -0.757 -1.790 1.00 0.00 H new ATOM 0 HH TYR A 16 8.831 -1.660 -3.671 1.00 0.00 H new ATOM 248 N VAL A 17 9.912 4.016 -1.024 1.00 0.00 N ATOM 249 CA VAL A 17 9.332 4.673 -2.272 1.00 0.00 C ATOM 250 C VAL A 17 9.912 6.083 -2.539 1.00 0.00 C ATOM 251 O VAL A 17 9.991 6.458 -3.697 1.00 0.00 O ATOM 252 CB VAL A 17 7.752 4.782 -2.181 1.00 0.00 C ATOM 253 CG1 VAL A 17 7.147 3.385 -1.991 1.00 0.00 C ATOM 254 CG2 VAL A 17 7.296 5.606 -1.011 1.00 0.00 C ATOM 0 H VAL A 17 9.196 3.712 -0.364 1.00 0.00 H new ATOM 0 HA VAL A 17 9.616 4.026 -3.102 1.00 0.00 H new ATOM 0 HB VAL A 17 7.425 5.254 -3.108 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.062 3.464 -1.929 1.00 0.00 H new ATOM 0 HG12 VAL A 17 7.417 2.753 -2.837 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.532 2.944 -1.072 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.207 5.647 -0.997 1.00 0.00 H new ATOM 0 HG22 VAL A 17 7.654 5.154 -0.086 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.696 6.616 -1.099 1.00 0.00 H new ATOM 264 N GLN A 18 10.274 6.806 -1.493 1.00 0.00 N ATOM 265 CA GLN A 18 10.851 8.180 -1.728 1.00 0.00 C ATOM 266 C GLN A 18 12.371 8.004 -1.936 1.00 0.00 C ATOM 267 O GLN A 18 12.972 8.744 -2.687 1.00 0.00 O ATOM 268 CB GLN A 18 10.631 9.164 -0.487 1.00 0.00 C ATOM 269 CG GLN A 18 9.885 8.531 0.685 1.00 0.00 C ATOM 270 CD GLN A 18 9.750 9.392 1.958 1.00 0.00 C ATOM 271 OE1 GLN A 18 9.515 8.798 3.089 1.00 0.00 O flip ATOM 272 NE2 GLN A 18 9.841 10.601 1.966 1.00 0.00 N flip ATOM 0 H GLN A 18 10.199 6.516 -0.518 1.00 0.00 H new ATOM 0 HA GLN A 18 10.350 8.622 -2.589 1.00 0.00 H new ATOM 0 HB2 GLN A 18 11.602 9.515 -0.139 1.00 0.00 H new ATOM 0 HB3 GLN A 18 10.078 10.040 -0.825 1.00 0.00 H new ATOM 0 HG2 GLN A 18 8.884 8.261 0.347 1.00 0.00 H new ATOM 0 HG3 GLN A 18 10.392 7.604 0.952 1.00 0.00 H new ATOM 0 HE21 GLN A 18 10.025 11.104 1.098 1.00 0.00 H new ATOM 0 HE22 GLN A 18 9.734 11.115 2.841 1.00 0.00 H new ATOM 281 N GLY A 19 12.933 7.036 -1.257 1.00 0.00 N ATOM 282 CA GLY A 19 14.404 6.725 -1.340 1.00 0.00 C ATOM 283 C GLY A 19 14.929 6.062 -0.056 1.00 0.00 C ATOM 284 O GLY A 19 15.795 6.580 0.621 1.00 0.00 O ATOM 0 H GLY A 19 12.418 6.424 -0.624 1.00 0.00 H new ATOM 0 HA2 GLY A 19 14.587 6.066 -2.189 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.959 7.645 -1.525 1.00 0.00 H new ATOM 288 N GLY A 20 14.385 4.907 0.236 1.00 0.00 N ATOM 289 CA GLY A 20 14.806 4.136 1.473 1.00 0.00 C ATOM 290 C GLY A 20 15.554 2.838 1.161 1.00 0.00 C ATOM 291 O GLY A 20 15.476 2.349 0.053 1.00 0.00 O ATOM 0 H GLY A 20 13.663 4.454 -0.324 1.00 0.00 H new ATOM 0 HA2 GLY A 20 15.441 4.773 2.089 1.00 0.00 H new ATOM 0 HA3 GLY A 20 13.920 3.902 2.064 1.00 0.00 H new ATOM 295 N PRO A 21 16.241 2.285 2.142 1.00 0.00 N ATOM 296 CA PRO A 21 17.045 1.029 2.003 1.00 0.00 C ATOM 297 C PRO A 21 16.094 -0.139 2.358 1.00 0.00 C ATOM 298 O PRO A 21 16.340 -1.001 3.181 1.00 0.00 O ATOM 299 CB PRO A 21 18.181 1.281 2.976 1.00 0.00 C ATOM 300 CG PRO A 21 17.407 1.882 4.182 1.00 0.00 C ATOM 301 CD PRO A 21 16.336 2.816 3.534 1.00 0.00 C ATOM 0 HA PRO A 21 17.453 0.775 1.025 1.00 0.00 H new ATOM 0 HB2 PRO A 21 18.709 0.365 3.240 1.00 0.00 H new ATOM 0 HB3 PRO A 21 18.922 1.972 2.575 1.00 0.00 H new ATOM 0 HG2 PRO A 21 16.941 1.101 4.783 1.00 0.00 H new ATOM 0 HG3 PRO A 21 18.072 2.439 4.842 1.00 0.00 H new ATOM 0 HD2 PRO A 21 15.380 2.760 4.055 1.00 0.00 H new ATOM 0 HD3 PRO A 21 16.647 3.861 3.549 1.00 0.00 H new ATOM 309 N GLY A 22 15.012 -0.056 1.646 1.00 0.00 N ATOM 310 CA GLY A 22 13.865 -0.997 1.715 1.00 0.00 C ATOM 311 C GLY A 22 13.734 -1.611 0.314 1.00 0.00 C ATOM 312 O GLY A 22 14.496 -1.228 -0.550 1.00 0.00 O ATOM 0 H GLY A 22 14.869 0.689 0.964 1.00 0.00 H new ATOM 0 HA2 GLY A 22 14.039 -1.769 2.464 1.00 0.00 H new ATOM 0 HA3 GLY A 22 12.950 -0.477 2.000 1.00 0.00 H new ATOM 316 N PRO A 23 12.822 -2.511 0.070 1.00 0.00 N ATOM 317 CA PRO A 23 11.726 -2.950 0.964 1.00 0.00 C ATOM 318 C PRO A 23 12.025 -4.284 1.674 1.00 0.00 C ATOM 319 O PRO A 23 11.585 -5.319 1.198 1.00 0.00 O ATOM 320 CB PRO A 23 10.592 -2.980 -0.010 1.00 0.00 C ATOM 321 CG PRO A 23 11.281 -3.694 -1.248 1.00 0.00 C ATOM 322 CD PRO A 23 12.752 -3.213 -1.238 1.00 0.00 C ATOM 0 HA PRO A 23 11.535 -2.310 1.826 1.00 0.00 H new ATOM 0 HB2 PRO A 23 9.738 -3.542 0.368 1.00 0.00 H new ATOM 0 HB3 PRO A 23 10.233 -1.981 -0.257 1.00 0.00 H new ATOM 0 HG2 PRO A 23 11.222 -4.779 -1.158 1.00 0.00 H new ATOM 0 HG3 PRO A 23 10.787 -3.425 -2.181 1.00 0.00 H new ATOM 0 HD2 PRO A 23 13.456 -4.043 -1.297 1.00 0.00 H new ATOM 0 HD3 PRO A 23 12.972 -2.548 -2.073 1.00 0.00 H new ATOM 330 N SER A 24 12.758 -4.179 2.759 1.00 0.00 N ATOM 331 CA SER A 24 13.201 -5.310 3.658 1.00 0.00 C ATOM 332 C SER A 24 12.487 -6.661 3.557 1.00 0.00 C ATOM 333 O SER A 24 13.070 -7.685 3.836 1.00 0.00 O ATOM 334 CB SER A 24 13.119 -4.810 5.110 1.00 0.00 C ATOM 335 OG SER A 24 14.065 -3.741 5.112 1.00 0.00 O ATOM 0 H SER A 24 13.097 -3.274 3.086 1.00 0.00 H new ATOM 0 HA SER A 24 14.206 -5.547 3.308 1.00 0.00 H new ATOM 0 HB2 SER A 24 12.117 -4.468 5.367 1.00 0.00 H new ATOM 0 HB3 SER A 24 13.383 -5.589 5.825 1.00 0.00 H new ATOM 0 HG SER A 24 14.099 -3.336 6.004 1.00 0.00 H new ATOM 341 N GLY A 25 11.244 -6.651 3.170 1.00 0.00 N ATOM 342 CA GLY A 25 10.425 -7.907 3.029 1.00 0.00 C ATOM 343 C GLY A 25 9.095 -7.711 3.719 1.00 0.00 C ATOM 344 O GLY A 25 8.036 -7.900 3.160 1.00 0.00 O ATOM 0 H GLY A 25 10.736 -5.798 2.935 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.271 -8.139 1.975 1.00 0.00 H new ATOM 0 HA3 GLY A 25 10.955 -8.753 3.468 1.00 0.00 H new ATOM 348 N GLU A 26 9.226 -7.325 4.949 1.00 0.00 N ATOM 349 CA GLU A 26 8.062 -7.064 5.827 1.00 0.00 C ATOM 350 C GLU A 26 6.902 -6.380 5.102 1.00 0.00 C ATOM 351 O GLU A 26 5.795 -6.864 5.207 1.00 0.00 O ATOM 352 CB GLU A 26 8.615 -6.233 7.012 1.00 0.00 C ATOM 353 CG GLU A 26 9.219 -4.821 6.567 1.00 0.00 C ATOM 354 CD GLU A 26 8.158 -3.718 6.443 1.00 0.00 C ATOM 355 OE1 GLU A 26 7.000 -4.004 6.644 1.00 0.00 O ATOM 356 OE2 GLU A 26 8.505 -2.599 6.145 1.00 0.00 O ATOM 0 H GLU A 26 10.129 -7.174 5.399 1.00 0.00 H new ATOM 0 HA GLU A 26 7.618 -7.996 6.176 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.816 -6.067 7.735 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.389 -6.808 7.520 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.972 -4.511 7.292 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.727 -4.936 5.609 1.00 0.00 H new ATOM 363 N CYS A 27 7.159 -5.307 4.386 1.00 0.00 N ATOM 364 CA CYS A 27 6.096 -4.599 3.674 1.00 0.00 C ATOM 365 C CYS A 27 5.157 -5.485 2.930 1.00 0.00 C ATOM 366 O CYS A 27 4.099 -5.755 3.449 1.00 0.00 O ATOM 367 CB CYS A 27 6.772 -3.596 2.734 1.00 0.00 C ATOM 368 SG CYS A 27 7.937 -2.411 3.444 1.00 0.00 S ATOM 0 H CYS A 27 8.088 -4.900 4.276 1.00 0.00 H new ATOM 0 HA CYS A 27 5.464 -4.101 4.409 1.00 0.00 H new ATOM 0 HB2 CYS A 27 7.300 -4.162 1.967 1.00 0.00 H new ATOM 0 HB3 CYS A 27 5.988 -3.031 2.230 1.00 0.00 H new ATOM 373 N CYS A 28 5.563 -5.904 1.767 1.00 0.00 N ATOM 374 CA CYS A 28 4.675 -6.782 0.968 1.00 0.00 C ATOM 375 C CYS A 28 3.889 -7.761 1.861 1.00 0.00 C ATOM 376 O CYS A 28 2.720 -7.985 1.640 1.00 0.00 O ATOM 377 CB CYS A 28 5.569 -7.465 -0.034 1.00 0.00 C ATOM 378 SG CYS A 28 6.762 -8.713 0.490 1.00 0.00 S ATOM 0 H CYS A 28 6.462 -5.679 1.340 1.00 0.00 H new ATOM 0 HA CYS A 28 3.899 -6.217 0.452 1.00 0.00 H new ATOM 0 HB2 CYS A 28 4.921 -7.933 -0.775 1.00 0.00 H new ATOM 0 HB3 CYS A 28 6.128 -6.684 -0.549 1.00 0.00 H new ATOM 383 N ASN A 29 4.525 -8.314 2.860 1.00 0.00 N ATOM 384 CA ASN A 29 3.813 -9.281 3.781 1.00 0.00 C ATOM 385 C ASN A 29 2.714 -8.574 4.610 1.00 0.00 C ATOM 386 O ASN A 29 1.560 -8.979 4.660 1.00 0.00 O ATOM 387 CB ASN A 29 4.895 -9.928 4.685 1.00 0.00 C ATOM 388 CG ASN A 29 4.872 -11.433 4.483 1.00 0.00 C ATOM 389 OD1 ASN A 29 4.048 -12.160 4.987 1.00 0.00 O ATOM 390 ND2 ASN A 29 5.774 -11.961 3.725 1.00 0.00 N ATOM 0 H ASN A 29 5.505 -8.145 3.087 1.00 0.00 H new ATOM 0 HA ASN A 29 3.296 -10.048 3.205 1.00 0.00 H new ATOM 0 HB2 ASN A 29 5.879 -9.530 4.438 1.00 0.00 H new ATOM 0 HB3 ASN A 29 4.706 -9.685 5.731 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.779 -12.968 3.564 1.00 0.00 H new ATOM 0 HD22 ASN A 29 6.481 -11.371 3.287 1.00 0.00 H new ATOM 397 N GLY A 30 3.112 -7.508 5.254 1.00 0.00 N ATOM 398 CA GLY A 30 2.150 -6.712 6.083 1.00 0.00 C ATOM 399 C GLY A 30 1.016 -6.332 5.124 1.00 0.00 C ATOM 400 O GLY A 30 -0.147 -6.419 5.453 1.00 0.00 O ATOM 0 H GLY A 30 4.067 -7.150 5.243 1.00 0.00 H new ATOM 0 HA2 GLY A 30 1.776 -7.297 6.923 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.628 -5.825 6.499 1.00 0.00 H new ATOM 404 N VAL A 31 1.420 -5.926 3.942 1.00 0.00 N ATOM 405 CA VAL A 31 0.463 -5.517 2.873 1.00 0.00 C ATOM 406 C VAL A 31 -0.553 -6.611 2.769 1.00 0.00 C ATOM 407 O VAL A 31 -1.725 -6.349 2.909 1.00 0.00 O ATOM 408 CB VAL A 31 1.066 -5.404 1.459 1.00 0.00 C ATOM 409 CG1 VAL A 31 -0.018 -4.800 0.626 1.00 0.00 C ATOM 410 CG2 VAL A 31 2.198 -4.439 1.406 1.00 0.00 C ATOM 0 H VAL A 31 2.401 -5.861 3.671 1.00 0.00 H new ATOM 0 HA VAL A 31 0.090 -4.534 3.158 1.00 0.00 H new ATOM 0 HB VAL A 31 1.422 -6.382 1.135 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.332 -4.685 -0.400 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.893 -5.450 0.640 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.285 -3.823 1.029 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.590 -4.394 0.390 1.00 0.00 H new ATOM 0 HG22 VAL A 31 1.848 -3.451 1.704 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.986 -4.765 2.085 1.00 0.00 H new ATOM 420 N ARG A 32 -0.078 -7.801 2.495 1.00 0.00 N ATOM 421 CA ARG A 32 -1.027 -8.954 2.390 1.00 0.00 C ATOM 422 C ARG A 32 -1.982 -8.911 3.598 1.00 0.00 C ATOM 423 O ARG A 32 -3.178 -8.897 3.392 1.00 0.00 O ATOM 424 CB ARG A 32 -0.265 -10.268 2.403 1.00 0.00 C ATOM 425 CG ARG A 32 0.689 -10.316 1.191 1.00 0.00 C ATOM 426 CD ARG A 32 0.337 -11.506 0.268 1.00 0.00 C ATOM 427 NE ARG A 32 0.810 -12.815 0.844 1.00 0.00 N ATOM 428 CZ ARG A 32 0.046 -13.839 0.789 1.00 0.00 C ATOM 429 NH1 ARG A 32 -0.071 -14.353 -0.373 1.00 0.00 N ATOM 430 NH2 ARG A 32 -0.520 -14.247 1.856 1.00 0.00 N ATOM 0 H ARG A 32 0.906 -8.023 2.342 1.00 0.00 H new ATOM 0 HA ARG A 32 -1.585 -8.882 1.456 1.00 0.00 H new ATOM 0 HB2 ARG A 32 0.301 -10.364 3.330 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -0.961 -11.106 2.366 1.00 0.00 H new ATOM 0 HG2 ARG A 32 0.622 -9.383 0.632 1.00 0.00 H new ATOM 0 HG3 ARG A 32 1.719 -10.408 1.535 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -0.742 -11.543 0.117 1.00 0.00 H new ATOM 0 HD3 ARG A 32 0.791 -11.354 -0.711 1.00 0.00 H new ATOM 0 HE ARG A 32 1.732 -12.884 1.274 1.00 0.00 H new ATOM 0 HH11 ARG A 32 0.426 -13.943 -1.164 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -0.661 -15.173 -0.511 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -0.361 -13.758 2.737 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -1.132 -15.062 1.829 1.00 0.00 H new ATOM 444 N ASP A 33 -1.451 -8.898 4.801 1.00 0.00 N ATOM 445 CA ASP A 33 -2.359 -8.841 6.017 1.00 0.00 C ATOM 446 C ASP A 33 -3.473 -7.815 5.767 1.00 0.00 C ATOM 447 O ASP A 33 -4.641 -8.154 5.767 1.00 0.00 O ATOM 448 CB ASP A 33 -1.552 -8.418 7.274 1.00 0.00 C ATOM 449 CG ASP A 33 -1.536 -9.548 8.295 1.00 0.00 C ATOM 450 OD1 ASP A 33 -2.496 -9.568 9.054 1.00 0.00 O ATOM 451 OD2 ASP A 33 -0.572 -10.293 8.228 1.00 0.00 O ATOM 0 H ASP A 33 -0.451 -8.924 5.001 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.788 -9.829 6.185 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.532 -8.160 6.990 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -1.995 -7.525 7.716 1.00 0.00 H new ATOM 456 N LEU A 34 -3.106 -6.577 5.541 1.00 0.00 N ATOM 457 CA LEU A 34 -4.205 -5.590 5.297 1.00 0.00 C ATOM 458 C LEU A 34 -5.035 -6.068 4.086 1.00 0.00 C ATOM 459 O LEU A 34 -6.232 -5.925 4.137 1.00 0.00 O ATOM 460 CB LEU A 34 -3.705 -4.158 4.951 1.00 0.00 C ATOM 461 CG LEU A 34 -2.847 -3.485 6.094 1.00 0.00 C ATOM 462 CD1 LEU A 34 -1.374 -3.601 5.819 1.00 0.00 C ATOM 463 CD2 LEU A 34 -3.079 -1.974 6.186 1.00 0.00 C ATOM 0 H LEU A 34 -2.151 -6.220 5.515 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.774 -5.537 6.225 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.108 -4.203 4.040 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.566 -3.525 4.736 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.153 -4.004 7.002 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.815 -3.127 6.626 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.098 -4.653 5.755 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.140 -3.107 4.876 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.466 -1.560 6.987 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.806 -1.506 5.240 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.131 -1.780 6.396 1.00 0.00 H new ATOM 475 N HIS A 35 -4.423 -6.628 3.065 1.00 0.00 N ATOM 476 CA HIS A 35 -5.158 -7.107 1.843 1.00 0.00 C ATOM 477 C HIS A 35 -6.078 -8.323 2.135 1.00 0.00 C ATOM 478 O HIS A 35 -6.974 -8.600 1.357 1.00 0.00 O ATOM 479 CB HIS A 35 -4.065 -7.432 0.795 1.00 0.00 C ATOM 480 CG HIS A 35 -4.594 -7.505 -0.632 1.00 0.00 C ATOM 481 ND1 HIS A 35 -5.487 -8.328 -1.062 1.00 0.00 N ATOM 482 CD2 HIS A 35 -4.247 -6.762 -1.736 1.00 0.00 C ATOM 483 CE1 HIS A 35 -5.692 -8.140 -2.327 1.00 0.00 C ATOM 484 NE2 HIS A 35 -4.937 -7.172 -2.783 1.00 0.00 N ATOM 0 H HIS A 35 -3.415 -6.777 3.027 1.00 0.00 H new ATOM 0 HA HIS A 35 -5.841 -6.341 1.476 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -3.286 -6.672 0.847 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -3.599 -8.384 1.051 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -5.963 -9.026 -0.490 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -3.520 -5.964 -1.745 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -6.391 -8.705 -2.925 1.00 0.00 H new ATOM 492 N ASN A 36 -5.800 -8.994 3.225 1.00 0.00 N ATOM 493 CA ASN A 36 -6.556 -10.200 3.719 1.00 0.00 C ATOM 494 C ASN A 36 -7.581 -9.799 4.812 1.00 0.00 C ATOM 495 O ASN A 36 -8.623 -10.416 4.932 1.00 0.00 O ATOM 496 CB ASN A 36 -5.519 -11.230 4.264 1.00 0.00 C ATOM 497 CG ASN A 36 -4.780 -11.884 3.098 1.00 0.00 C ATOM 498 OD1 ASN A 36 -4.842 -13.070 2.868 1.00 0.00 O ATOM 499 ND2 ASN A 36 -4.045 -11.191 2.292 1.00 0.00 N ATOM 0 H ASN A 36 -5.025 -8.737 3.837 1.00 0.00 H new ATOM 0 HA ASN A 36 -7.124 -10.648 2.904 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -4.809 -10.731 4.923 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -6.025 -11.990 4.858 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -3.562 -11.650 1.520 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -3.948 -10.185 2.428 1.00 0.00 H new ATOM 506 N GLN A 37 -7.247 -8.779 5.560 1.00 0.00 N ATOM 507 CA GLN A 37 -8.125 -8.250 6.660 1.00 0.00 C ATOM 508 C GLN A 37 -9.191 -7.413 5.909 1.00 0.00 C ATOM 509 O GLN A 37 -10.373 -7.497 6.181 1.00 0.00 O ATOM 510 CB GLN A 37 -7.269 -7.343 7.625 1.00 0.00 C ATOM 511 CG GLN A 37 -6.257 -8.126 8.556 1.00 0.00 C ATOM 512 CD GLN A 37 -5.513 -7.177 9.537 1.00 0.00 C ATOM 513 OE1 GLN A 37 -6.049 -6.211 10.058 1.00 0.00 O ATOM 514 NE2 GLN A 37 -4.269 -7.402 9.844 1.00 0.00 N ATOM 0 H GLN A 37 -6.370 -8.270 5.453 1.00 0.00 H new ATOM 0 HA GLN A 37 -8.573 -9.029 7.277 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -6.707 -6.628 7.024 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.947 -6.767 8.255 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.798 -8.882 9.124 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -5.529 -8.652 7.938 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -3.778 -8.197 9.434 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -3.784 -6.784 10.494 1.00 0.00 H new ATOM 523 N ALA A 38 -8.736 -6.619 4.974 1.00 0.00 N ATOM 524 CA ALA A 38 -9.678 -5.784 4.183 1.00 0.00 C ATOM 525 C ALA A 38 -10.145 -6.743 3.046 1.00 0.00 C ATOM 526 O ALA A 38 -9.328 -7.222 2.276 1.00 0.00 O ATOM 527 CB ALA A 38 -8.855 -4.587 3.708 1.00 0.00 C ATOM 0 H ALA A 38 -7.752 -6.515 4.727 1.00 0.00 H new ATOM 0 HA ALA A 38 -10.556 -5.388 4.694 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -9.486 -3.924 3.116 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -8.469 -4.045 4.571 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -8.022 -4.937 3.098 1.00 0.00 H new ATOM 533 N GLN A 39 -11.426 -6.997 2.961 1.00 0.00 N ATOM 534 CA GLN A 39 -11.944 -7.922 1.904 1.00 0.00 C ATOM 535 C GLN A 39 -12.761 -7.266 0.752 1.00 0.00 C ATOM 536 O GLN A 39 -12.687 -7.759 -0.364 1.00 0.00 O ATOM 537 CB GLN A 39 -12.724 -9.012 2.715 1.00 0.00 C ATOM 538 CG GLN A 39 -11.711 -9.570 3.819 1.00 0.00 C ATOM 539 CD GLN A 39 -12.132 -10.852 4.550 1.00 0.00 C ATOM 540 OE1 GLN A 39 -13.268 -11.258 4.631 1.00 0.00 O ATOM 541 NE2 GLN A 39 -11.193 -11.535 5.121 1.00 0.00 N ATOM 0 H GLN A 39 -12.137 -6.604 3.578 1.00 0.00 H new ATOM 0 HA GLN A 39 -11.125 -8.338 1.318 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -13.611 -8.586 3.183 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -13.063 -9.814 2.060 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -10.749 -9.751 3.339 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -11.554 -8.789 4.563 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -10.226 -11.215 5.068 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -11.420 -12.393 5.624 1.00 0.00 H new ATOM 550 N SER A 40 -13.477 -6.196 1.001 1.00 0.00 N ATOM 551 CA SER A 40 -14.289 -5.525 -0.093 1.00 0.00 C ATOM 552 C SER A 40 -13.726 -4.113 -0.431 1.00 0.00 C ATOM 553 O SER A 40 -12.531 -3.958 -0.597 1.00 0.00 O ATOM 554 CB SER A 40 -15.784 -5.447 0.388 1.00 0.00 C ATOM 555 OG SER A 40 -15.944 -4.337 1.262 1.00 0.00 O ATOM 0 H SER A 40 -13.541 -5.748 1.915 1.00 0.00 H new ATOM 0 HA SER A 40 -14.227 -6.109 -1.011 1.00 0.00 H new ATOM 0 HB2 SER A 40 -16.448 -5.346 -0.470 1.00 0.00 H new ATOM 0 HB3 SER A 40 -16.061 -6.369 0.899 1.00 0.00 H new ATOM 0 HG SER A 40 -15.173 -4.281 1.864 1.00 0.00 H new ATOM 561 N SER A 41 -14.575 -3.128 -0.559 1.00 0.00 N ATOM 562 CA SER A 41 -14.096 -1.739 -0.870 1.00 0.00 C ATOM 563 C SER A 41 -14.089 -1.079 0.516 1.00 0.00 C ATOM 564 O SER A 41 -13.037 -0.711 0.986 1.00 0.00 O ATOM 565 CB SER A 41 -15.081 -1.027 -1.842 1.00 0.00 C ATOM 566 OG SER A 41 -16.304 -0.898 -1.128 1.00 0.00 O ATOM 0 H SER A 41 -15.586 -3.221 -0.462 1.00 0.00 H new ATOM 0 HA SER A 41 -13.127 -1.701 -1.367 1.00 0.00 H new ATOM 0 HB2 SER A 41 -14.698 -0.051 -2.141 1.00 0.00 H new ATOM 0 HB3 SER A 41 -15.220 -1.608 -2.753 1.00 0.00 H new ATOM 0 HG SER A 41 -16.968 -0.451 -1.694 1.00 0.00 H new ATOM 572 N GLY A 42 -15.247 -0.958 1.124 1.00 0.00 N ATOM 573 CA GLY A 42 -15.481 -0.350 2.496 1.00 0.00 C ATOM 574 C GLY A 42 -14.271 -0.368 3.431 1.00 0.00 C ATOM 575 O GLY A 42 -13.944 0.603 4.084 1.00 0.00 O ATOM 0 H GLY A 42 -16.113 -1.281 0.693 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -15.806 0.683 2.368 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -16.300 -0.884 2.978 1.00 0.00 H new ATOM 579 N ASP A 43 -13.630 -1.493 3.463 1.00 0.00 N ATOM 580 CA ASP A 43 -12.427 -1.669 4.322 1.00 0.00 C ATOM 581 C ASP A 43 -11.176 -1.130 3.556 1.00 0.00 C ATOM 582 O ASP A 43 -10.498 -0.214 4.010 1.00 0.00 O ATOM 583 CB ASP A 43 -12.462 -3.190 4.629 1.00 0.00 C ATOM 584 CG ASP A 43 -12.615 -3.999 3.349 1.00 0.00 C ATOM 585 OD1 ASP A 43 -11.614 -4.331 2.764 1.00 0.00 O ATOM 586 OD2 ASP A 43 -13.737 -4.261 2.972 1.00 0.00 O ATOM 0 H ASP A 43 -13.890 -2.317 2.921 1.00 0.00 H new ATOM 0 HA ASP A 43 -12.394 -1.112 5.259 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -11.546 -3.483 5.142 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -13.289 -3.410 5.304 1.00 0.00 H new ATOM 591 N ARG A 44 -10.931 -1.734 2.415 1.00 0.00 N ATOM 592 CA ARG A 44 -9.792 -1.372 1.518 1.00 0.00 C ATOM 593 C ARG A 44 -9.813 0.156 1.359 1.00 0.00 C ATOM 594 O ARG A 44 -8.897 0.793 1.813 1.00 0.00 O ATOM 595 CB ARG A 44 -10.007 -2.098 0.166 1.00 0.00 C ATOM 596 CG ARG A 44 -8.845 -3.061 -0.160 1.00 0.00 C ATOM 597 CD ARG A 44 -9.030 -4.412 0.569 1.00 0.00 C ATOM 598 NE ARG A 44 -9.081 -5.438 -0.510 1.00 0.00 N ATOM 599 CZ ARG A 44 -9.993 -6.307 -0.634 1.00 0.00 C ATOM 600 NH1 ARG A 44 -11.081 -5.923 -1.134 1.00 0.00 N ATOM 601 NH2 ARG A 44 -9.767 -7.488 -0.255 1.00 0.00 N ATOM 0 H ARG A 44 -11.504 -2.498 2.057 1.00 0.00 H new ATOM 0 HA ARG A 44 -8.823 -1.673 1.916 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -10.943 -2.656 0.198 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -10.102 -1.361 -0.631 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -8.796 -3.227 -1.236 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -7.898 -2.609 0.137 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -8.206 -4.604 1.256 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -9.946 -4.418 1.160 1.00 0.00 H new ATOM 0 HE ARG A 44 -8.328 -5.440 -1.198 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -11.197 -4.950 -1.418 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -11.848 -6.584 -1.256 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -8.860 -7.731 0.144 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -10.491 -8.201 -0.348 1.00 0.00 H new ATOM 615 N GLN A 45 -10.843 0.686 0.745 1.00 0.00 N ATOM 616 CA GLN A 45 -11.028 2.159 0.511 1.00 0.00 C ATOM 617 C GLN A 45 -10.535 3.014 1.679 1.00 0.00 C ATOM 618 O GLN A 45 -9.840 3.984 1.478 1.00 0.00 O ATOM 619 CB GLN A 45 -12.537 2.480 0.278 1.00 0.00 C ATOM 620 CG GLN A 45 -12.819 3.034 -1.154 1.00 0.00 C ATOM 621 CD GLN A 45 -12.030 4.291 -1.548 1.00 0.00 C ATOM 622 OE1 GLN A 45 -12.111 4.737 -2.675 1.00 0.00 O ATOM 623 NE2 GLN A 45 -11.256 4.932 -0.723 1.00 0.00 N ATOM 0 H GLN A 45 -11.609 0.123 0.374 1.00 0.00 H new ATOM 0 HA GLN A 45 -10.432 2.405 -0.368 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -13.125 1.576 0.436 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -12.868 3.209 1.017 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -12.600 2.248 -1.877 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -13.883 3.255 -1.235 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -11.150 4.603 0.237 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -10.755 5.764 -1.035 1.00 0.00 H new ATOM 632 N THR A 46 -10.920 2.624 2.858 1.00 0.00 N ATOM 633 CA THR A 46 -10.510 3.373 4.095 1.00 0.00 C ATOM 634 C THR A 46 -8.982 3.327 4.218 1.00 0.00 C ATOM 635 O THR A 46 -8.292 4.330 4.118 1.00 0.00 O ATOM 636 CB THR A 46 -11.198 2.695 5.296 1.00 0.00 C ATOM 637 OG1 THR A 46 -12.581 2.826 4.995 1.00 0.00 O ATOM 638 CG2 THR A 46 -11.057 3.555 6.541 1.00 0.00 C ATOM 0 H THR A 46 -11.509 1.809 3.029 1.00 0.00 H new ATOM 0 HA THR A 46 -10.810 4.420 4.056 1.00 0.00 H new ATOM 0 HB THR A 46 -10.802 1.692 5.453 1.00 0.00 H new ATOM 0 HG1 THR A 46 -12.931 1.965 4.684 1.00 0.00 H new ATOM 0 HG21 THR A 46 -11.548 3.063 7.381 1.00 0.00 H new ATOM 0 HG22 THR A 46 -10.000 3.694 6.769 1.00 0.00 H new ATOM 0 HG23 THR A 46 -11.522 4.526 6.367 1.00 0.00 H new ATOM 646 N VAL A 47 -8.491 2.139 4.416 1.00 0.00 N ATOM 647 CA VAL A 47 -7.017 1.947 4.547 1.00 0.00 C ATOM 648 C VAL A 47 -6.319 2.601 3.329 1.00 0.00 C ATOM 649 O VAL A 47 -5.219 3.091 3.419 1.00 0.00 O ATOM 650 CB VAL A 47 -6.832 0.412 4.673 1.00 0.00 C ATOM 651 CG1 VAL A 47 -5.707 -0.161 3.825 1.00 0.00 C ATOM 652 CG2 VAL A 47 -6.598 0.080 6.158 1.00 0.00 C ATOM 0 H VAL A 47 -9.047 1.287 4.494 1.00 0.00 H new ATOM 0 HA VAL A 47 -6.561 2.426 5.413 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.740 -0.055 4.290 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -5.651 -1.239 3.976 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -5.901 0.049 2.773 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.762 0.296 4.117 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -6.465 -0.996 6.274 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.705 0.596 6.510 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -7.459 0.404 6.743 1.00 0.00 H new ATOM 662 N CYS A 48 -7.001 2.586 2.226 1.00 0.00 N ATOM 663 CA CYS A 48 -6.502 3.169 0.955 1.00 0.00 C ATOM 664 C CYS A 48 -6.401 4.673 1.119 1.00 0.00 C ATOM 665 O CYS A 48 -5.319 5.178 0.942 1.00 0.00 O ATOM 666 CB CYS A 48 -7.465 2.804 -0.141 1.00 0.00 C ATOM 667 SG CYS A 48 -6.725 2.836 -1.777 1.00 0.00 S ATOM 0 H CYS A 48 -7.930 2.173 2.150 1.00 0.00 H new ATOM 0 HA CYS A 48 -5.515 2.782 0.700 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -7.862 1.807 0.051 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -8.309 3.493 -0.118 1.00 0.00 H new ATOM 672 N ASN A 49 -7.471 5.360 1.427 1.00 0.00 N ATOM 673 CA ASN A 49 -7.396 6.846 1.619 1.00 0.00 C ATOM 674 C ASN A 49 -6.170 7.144 2.498 1.00 0.00 C ATOM 675 O ASN A 49 -5.432 8.075 2.247 1.00 0.00 O ATOM 676 CB ASN A 49 -8.696 7.301 2.289 1.00 0.00 C ATOM 677 CG ASN A 49 -9.795 7.290 1.246 1.00 0.00 C ATOM 678 OD1 ASN A 49 -10.899 6.660 1.460 1.00 0.00 O flip ATOM 679 ND2 ASN A 49 -9.678 7.863 0.186 1.00 0.00 N flip ATOM 0 H ASN A 49 -8.399 4.957 1.555 1.00 0.00 H new ATOM 0 HA ASN A 49 -7.287 7.381 0.676 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -8.950 6.638 3.116 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -8.579 8.301 2.707 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -8.821 8.374 -0.026 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -10.436 7.835 -0.496 1.00 0.00 H new ATOM 686 N CYS A 50 -5.992 6.337 3.515 1.00 0.00 N ATOM 687 CA CYS A 50 -4.811 6.546 4.420 1.00 0.00 C ATOM 688 C CYS A 50 -3.471 6.207 3.695 1.00 0.00 C ATOM 689 O CYS A 50 -2.628 7.060 3.540 1.00 0.00 O ATOM 690 CB CYS A 50 -5.085 5.668 5.631 1.00 0.00 C ATOM 691 SG CYS A 50 -6.724 5.959 6.340 1.00 0.00 S ATOM 0 H CYS A 50 -6.600 5.555 3.758 1.00 0.00 H new ATOM 0 HA CYS A 50 -4.691 7.587 4.721 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -4.998 4.620 5.343 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -4.326 5.854 6.390 1.00 0.00 H new ATOM 696 N LEU A 51 -3.264 4.999 3.252 1.00 0.00 N ATOM 697 CA LEU A 51 -2.010 4.584 2.535 1.00 0.00 C ATOM 698 C LEU A 51 -1.687 5.526 1.326 1.00 0.00 C ATOM 699 O LEU A 51 -0.583 5.992 1.115 1.00 0.00 O ATOM 700 CB LEU A 51 -2.278 3.103 2.140 1.00 0.00 C ATOM 701 CG LEU A 51 -1.563 2.633 0.855 1.00 0.00 C ATOM 702 CD1 LEU A 51 -1.152 1.207 1.074 1.00 0.00 C ATOM 703 CD2 LEU A 51 -2.541 2.558 -0.351 1.00 0.00 C ATOM 0 H LEU A 51 -3.941 4.244 3.360 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.114 4.667 3.149 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.970 2.461 2.965 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -3.352 2.965 2.012 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.746 3.326 0.653 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.641 0.835 0.186 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.480 1.149 1.930 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.036 0.599 1.265 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.001 2.224 -1.237 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.342 1.854 -0.127 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.967 3.544 -0.536 1.00 0.00 H new ATOM 715 N LYS A 52 -2.688 5.785 0.535 1.00 0.00 N ATOM 716 CA LYS A 52 -2.519 6.682 -0.648 1.00 0.00 C ATOM 717 C LYS A 52 -2.286 8.062 0.011 1.00 0.00 C ATOM 718 O LYS A 52 -1.397 8.788 -0.393 1.00 0.00 O ATOM 719 CB LYS A 52 -3.838 6.555 -1.534 1.00 0.00 C ATOM 720 CG LYS A 52 -4.351 7.911 -2.101 1.00 0.00 C ATOM 721 CD LYS A 52 -5.121 7.710 -3.466 1.00 0.00 C ATOM 722 CE LYS A 52 -6.298 6.732 -3.391 1.00 0.00 C ATOM 723 NZ LYS A 52 -7.092 6.852 -4.667 1.00 0.00 N ATOM 0 H LYS A 52 -3.629 5.410 0.656 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.701 6.462 -1.334 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.642 5.876 -2.364 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.626 6.103 -0.932 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -5.012 8.384 -1.375 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -3.509 8.586 -2.253 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -5.490 8.677 -3.807 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -4.416 7.354 -4.218 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -5.937 5.712 -3.263 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.926 6.959 -2.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -8.101 6.702 -4.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -6.957 7.800 -5.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -6.766 6.136 -5.347 1.00 0.00 H new ATOM 737 N GLY A 53 -3.069 8.406 1.009 1.00 0.00 N ATOM 738 CA GLY A 53 -2.893 9.730 1.715 1.00 0.00 C ATOM 739 C GLY A 53 -1.397 9.905 1.992 1.00 0.00 C ATOM 740 O GLY A 53 -0.809 10.889 1.589 1.00 0.00 O ATOM 0 H GLY A 53 -3.827 7.827 1.370 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -3.267 10.547 1.098 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -3.460 9.747 2.646 1.00 0.00 H new ATOM 744 N ILE A 54 -0.803 8.951 2.669 1.00 0.00 N ATOM 745 CA ILE A 54 0.669 9.097 2.941 1.00 0.00 C ATOM 746 C ILE A 54 1.329 9.198 1.556 1.00 0.00 C ATOM 747 O ILE A 54 2.016 10.171 1.376 1.00 0.00 O ATOM 748 CB ILE A 54 1.286 7.863 3.754 1.00 0.00 C ATOM 749 CG1 ILE A 54 0.213 6.855 4.143 1.00 0.00 C ATOM 750 CG2 ILE A 54 1.853 8.484 5.049 1.00 0.00 C ATOM 751 CD1 ILE A 54 0.737 5.639 4.944 1.00 0.00 C ATOM 0 H ILE A 54 -1.248 8.109 3.034 1.00 0.00 H new ATOM 0 HA ILE A 54 0.848 9.971 3.567 1.00 0.00 H new ATOM 0 HB ILE A 54 2.028 7.339 3.152 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.548 7.363 4.735 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.275 6.495 3.237 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.296 7.701 5.664 1.00 0.00 H new ATOM 0 HG22 ILE A 54 2.615 9.221 4.796 1.00 0.00 H new ATOM 0 HG23 ILE A 54 1.049 8.969 5.602 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.093 4.973 5.179 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.476 5.102 4.349 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.198 5.984 5.869 1.00 0.00 H new ATOM 763 N ALA A 55 1.154 8.283 0.617 1.00 0.00 N ATOM 764 CA ALA A 55 1.799 8.405 -0.751 1.00 0.00 C ATOM 765 C ALA A 55 1.838 9.859 -1.266 1.00 0.00 C ATOM 766 O ALA A 55 2.780 10.319 -1.885 1.00 0.00 O ATOM 767 CB ALA A 55 1.035 7.489 -1.731 1.00 0.00 C ATOM 0 H ALA A 55 0.585 7.445 0.739 1.00 0.00 H new ATOM 0 HA ALA A 55 2.840 8.092 -0.673 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.483 7.562 -2.722 1.00 0.00 H new ATOM 0 HB2 ALA A 55 1.090 6.458 -1.383 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.009 7.800 -1.781 1.00 0.00 H new ATOM 773 N ARG A 56 0.772 10.546 -0.987 1.00 0.00 N ATOM 774 CA ARG A 56 0.664 11.972 -1.406 1.00 0.00 C ATOM 775 C ARG A 56 1.409 12.845 -0.397 1.00 0.00 C ATOM 776 O ARG A 56 2.082 13.785 -0.763 1.00 0.00 O ATOM 777 CB ARG A 56 -0.803 12.321 -1.461 1.00 0.00 C ATOM 778 CG ARG A 56 -1.468 11.418 -2.506 1.00 0.00 C ATOM 779 CD ARG A 56 -2.447 12.313 -3.286 1.00 0.00 C ATOM 780 NE ARG A 56 -1.614 13.280 -4.100 1.00 0.00 N ATOM 781 CZ ARG A 56 -1.831 13.515 -5.340 1.00 0.00 C ATOM 782 NH1 ARG A 56 -2.701 14.396 -5.638 1.00 0.00 N ATOM 783 NH2 ARG A 56 -1.164 12.862 -6.208 1.00 0.00 N ATOM 0 H ARG A 56 -0.037 10.182 -0.483 1.00 0.00 H new ATOM 0 HA ARG A 56 1.110 12.139 -2.386 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -1.265 12.178 -0.484 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -0.935 13.370 -1.725 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -0.724 10.981 -3.173 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -1.993 10.591 -2.028 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.084 11.712 -3.935 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.105 12.851 -2.603 1.00 0.00 H new ATOM 0 HE ARG A 56 -0.845 13.767 -3.640 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.201 14.890 -4.899 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -2.898 14.608 -6.616 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -0.476 12.171 -5.908 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -1.318 13.031 -7.202 1.00 0.00 H new ATOM 797 N GLY A 57 1.286 12.519 0.857 1.00 0.00 N ATOM 798 CA GLY A 57 1.976 13.297 1.940 1.00 0.00 C ATOM 799 C GLY A 57 3.451 12.893 2.090 1.00 0.00 C ATOM 800 O GLY A 57 3.966 12.770 3.182 1.00 0.00 O ATOM 0 H GLY A 57 0.728 11.733 1.191 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.913 14.362 1.717 1.00 0.00 H new ATOM 0 HA3 GLY A 57 1.459 13.138 2.886 1.00 0.00 H new ATOM 804 N ILE A 58 4.078 12.695 0.966 1.00 0.00 N ATOM 805 CA ILE A 58 5.534 12.309 0.887 1.00 0.00 C ATOM 806 C ILE A 58 6.129 13.325 -0.105 1.00 0.00 C ATOM 807 O ILE A 58 5.442 14.247 -0.498 1.00 0.00 O ATOM 808 CB ILE A 58 5.785 10.872 0.299 1.00 0.00 C ATOM 809 CG1 ILE A 58 4.661 9.960 0.752 1.00 0.00 C ATOM 810 CG2 ILE A 58 7.055 10.349 0.958 1.00 0.00 C ATOM 811 CD1 ILE A 58 4.788 8.453 0.406 1.00 0.00 C ATOM 0 H ILE A 58 3.629 12.787 0.054 1.00 0.00 H new ATOM 0 HA ILE A 58 5.968 12.307 1.887 1.00 0.00 H new ATOM 0 HB ILE A 58 5.851 10.902 -0.789 1.00 0.00 H new ATOM 0 HG12 ILE A 58 4.567 10.051 1.834 1.00 0.00 H new ATOM 0 HG13 ILE A 58 3.731 10.329 0.319 1.00 0.00 H new ATOM 0 HG21 ILE A 58 7.275 9.350 0.583 1.00 0.00 H new ATOM 0 HG22 ILE A 58 7.886 11.015 0.726 1.00 0.00 H new ATOM 0 HG23 ILE A 58 6.914 10.308 2.038 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.919 7.918 0.788 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.843 8.331 -0.676 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.692 8.050 0.863 1.00 0.00 H new ATOM 823 N HIS A 59 7.364 13.162 -0.504 1.00 0.00 N ATOM 824 CA HIS A 59 7.932 14.151 -1.468 1.00 0.00 C ATOM 825 C HIS A 59 7.848 13.641 -2.922 1.00 0.00 C ATOM 826 O HIS A 59 7.085 14.196 -3.685 1.00 0.00 O ATOM 827 CB HIS A 59 9.379 14.411 -1.051 1.00 0.00 C ATOM 828 CG HIS A 59 9.820 15.754 -1.634 1.00 0.00 C ATOM 829 ND1 HIS A 59 9.201 16.404 -2.565 1.00 0.00 N ATOM 830 CD2 HIS A 59 10.909 16.545 -1.333 1.00 0.00 C ATOM 831 CE1 HIS A 59 9.840 17.503 -2.829 1.00 0.00 C ATOM 832 NE2 HIS A 59 10.908 17.629 -2.084 1.00 0.00 N ATOM 0 H HIS A 59 7.989 12.410 -0.214 1.00 0.00 H new ATOM 0 HA HIS A 59 7.356 15.076 -1.441 1.00 0.00 H new ATOM 0 HB2 HIS A 59 9.463 14.424 0.036 1.00 0.00 H new ATOM 0 HB3 HIS A 59 10.026 13.611 -1.411 1.00 0.00 H new ATOM 0 HD2 HIS A 59 11.656 16.310 -0.589 1.00 0.00 H new ATOM 0 HE1 HIS A 59 9.529 18.223 -3.571 1.00 0.00 H new ATOM 0 HE2 HIS A 59 11.585 18.392 -2.084 1.00 0.00 H new ATOM 840 N ASN A 60 8.599 12.629 -3.278 1.00 0.00 N ATOM 841 CA ASN A 60 8.532 12.113 -4.685 1.00 0.00 C ATOM 842 C ASN A 60 8.450 10.571 -4.733 1.00 0.00 C ATOM 843 O ASN A 60 9.413 9.918 -5.070 1.00 0.00 O ATOM 844 CB ASN A 60 9.786 12.647 -5.449 1.00 0.00 C ATOM 845 CG ASN A 60 9.671 12.377 -6.951 1.00 0.00 C ATOM 846 OD1 ASN A 60 9.789 13.267 -7.761 1.00 0.00 O ATOM 847 ND2 ASN A 60 9.445 11.191 -7.410 1.00 0.00 N ATOM 0 H ASN A 60 9.250 12.140 -2.664 1.00 0.00 H new ATOM 0 HA ASN A 60 7.621 12.471 -5.164 1.00 0.00 H new ATOM 0 HB2 ASN A 60 9.893 13.718 -5.276 1.00 0.00 H new ATOM 0 HB3 ASN A 60 10.685 12.170 -5.058 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.374 11.039 -8.416 1.00 0.00 H new ATOM 0 HD22 ASN A 60 9.338 10.407 -6.766 1.00 0.00 H new ATOM 854 N LEU A 61 7.311 10.040 -4.371 1.00 0.00 N ATOM 855 CA LEU A 61 7.092 8.545 -4.384 1.00 0.00 C ATOM 856 C LEU A 61 7.651 7.969 -5.722 1.00 0.00 C ATOM 857 O LEU A 61 7.502 8.583 -6.761 1.00 0.00 O ATOM 858 CB LEU A 61 5.531 8.423 -4.129 1.00 0.00 C ATOM 859 CG LEU A 61 4.739 7.294 -4.825 1.00 0.00 C ATOM 860 CD1 LEU A 61 4.546 7.628 -6.301 1.00 0.00 C ATOM 861 CD2 LEU A 61 5.364 5.910 -4.650 1.00 0.00 C ATOM 0 H LEU A 61 6.504 10.581 -4.060 1.00 0.00 H new ATOM 0 HA LEU A 61 7.616 7.953 -3.634 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.382 8.314 -3.055 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.076 9.370 -4.420 1.00 0.00 H new ATOM 0 HG LEU A 61 3.768 7.240 -4.333 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.987 6.827 -6.785 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.994 8.563 -6.393 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.519 7.732 -6.781 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.754 5.168 -5.165 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.369 5.909 -5.071 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.415 5.665 -3.589 1.00 0.00 H new ATOM 873 N ASN A 62 8.291 6.831 -5.684 1.00 0.00 N ATOM 874 CA ASN A 62 8.862 6.208 -6.928 1.00 0.00 C ATOM 875 C ASN A 62 8.120 4.895 -7.237 1.00 0.00 C ATOM 876 O ASN A 62 8.557 3.855 -6.790 1.00 0.00 O ATOM 877 CB ASN A 62 10.354 5.949 -6.675 1.00 0.00 C ATOM 878 CG ASN A 62 10.973 5.450 -7.961 1.00 0.00 C ATOM 879 OD1 ASN A 62 10.750 4.237 -8.359 1.00 0.00 O flip ATOM 880 ND2 ASN A 62 11.668 6.168 -8.639 1.00 0.00 N flip ATOM 0 H ASN A 62 8.448 6.293 -4.832 1.00 0.00 H new ATOM 0 HA ASN A 62 8.742 6.868 -7.787 1.00 0.00 H new ATOM 0 HB2 ASN A 62 10.848 6.863 -6.345 1.00 0.00 H new ATOM 0 HB3 ASN A 62 10.483 5.213 -5.881 1.00 0.00 H new ATOM 0 HD21 ASN A 62 11.855 7.126 -8.342 1.00 0.00 H new ATOM 0 HD22 ASN A 62 12.068 5.817 -9.509 1.00 0.00 H new ATOM 887 N LEU A 63 7.038 4.969 -7.973 1.00 0.00 N ATOM 888 CA LEU A 63 6.211 3.760 -8.341 1.00 0.00 C ATOM 889 C LEU A 63 6.920 2.401 -8.305 1.00 0.00 C ATOM 890 O LEU A 63 6.410 1.453 -7.738 1.00 0.00 O ATOM 891 CB LEU A 63 5.560 4.011 -9.770 1.00 0.00 C ATOM 892 CG LEU A 63 6.373 3.516 -11.007 1.00 0.00 C ATOM 893 CD1 LEU A 63 6.165 1.994 -11.230 1.00 0.00 C ATOM 894 CD2 LEU A 63 5.808 4.214 -12.250 1.00 0.00 C ATOM 0 H LEU A 63 6.676 5.845 -8.350 1.00 0.00 H new ATOM 0 HA LEU A 63 5.462 3.670 -7.554 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.583 3.527 -9.789 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.388 5.081 -9.882 1.00 0.00 H new ATOM 0 HG LEU A 63 7.429 3.731 -10.840 1.00 0.00 H new ATOM 0 HD11 LEU A 63 6.741 1.671 -12.097 1.00 0.00 H new ATOM 0 HD12 LEU A 63 6.500 1.448 -10.348 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.108 1.793 -11.401 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.358 3.887 -13.132 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.754 3.958 -12.364 1.00 0.00 H new ATOM 0 HD23 LEU A 63 5.909 5.294 -12.139 1.00 0.00 H new ATOM 906 N ASN A 64 8.072 2.320 -8.917 1.00 0.00 N ATOM 907 CA ASN A 64 8.832 1.027 -8.921 1.00 0.00 C ATOM 908 C ASN A 64 8.747 0.388 -7.518 1.00 0.00 C ATOM 909 O ASN A 64 8.406 -0.767 -7.349 1.00 0.00 O ATOM 910 CB ASN A 64 10.285 1.335 -9.305 1.00 0.00 C ATOM 911 CG ASN A 64 11.039 0.046 -9.559 1.00 0.00 C ATOM 912 OD1 ASN A 64 10.946 -0.927 -8.716 1.00 0.00 O flip ATOM 913 ND2 ASN A 64 11.734 -0.100 -10.532 1.00 0.00 N flip ATOM 0 H ASN A 64 8.522 3.089 -9.414 1.00 0.00 H new ATOM 0 HA ASN A 64 8.413 0.322 -9.639 1.00 0.00 H new ATOM 0 HB2 ASN A 64 10.309 1.962 -10.197 1.00 0.00 H new ATOM 0 HB3 ASN A 64 10.769 1.898 -8.507 1.00 0.00 H new ATOM 0 HD21 ASN A 64 11.824 0.654 -11.213 1.00 0.00 H new ATOM 0 HD22 ASN A 64 12.233 -0.978 -10.675 1.00 0.00 H new ATOM 920 N ASN A 65 9.061 1.196 -6.549 1.00 0.00 N ATOM 921 CA ASN A 65 9.037 0.757 -5.135 1.00 0.00 C ATOM 922 C ASN A 65 7.639 0.211 -4.820 1.00 0.00 C ATOM 923 O ASN A 65 7.439 -0.940 -4.467 1.00 0.00 O ATOM 924 CB ASN A 65 9.339 1.964 -4.286 1.00 0.00 C ATOM 925 CG ASN A 65 10.662 2.576 -4.672 1.00 0.00 C ATOM 926 OD1 ASN A 65 11.034 2.686 -5.819 1.00 0.00 O ATOM 927 ND2 ASN A 65 11.414 3.013 -3.732 1.00 0.00 N ATOM 0 H ASN A 65 9.340 2.168 -6.685 1.00 0.00 H new ATOM 0 HA ASN A 65 9.770 -0.025 -4.939 1.00 0.00 H new ATOM 0 HB2 ASN A 65 8.545 2.702 -4.401 1.00 0.00 H new ATOM 0 HB3 ASN A 65 9.359 1.678 -3.234 1.00 0.00 H new ATOM 0 HD21 ASN A 65 12.310 3.445 -3.955 1.00 0.00 H new ATOM 0 HD22 ASN A 65 11.117 2.929 -2.760 1.00 0.00 H new ATOM 934 N ALA A 66 6.723 1.115 -4.992 1.00 0.00 N ATOM 935 CA ALA A 66 5.285 0.810 -4.740 1.00 0.00 C ATOM 936 C ALA A 66 4.798 -0.539 -5.362 1.00 0.00 C ATOM 937 O ALA A 66 4.104 -1.304 -4.717 1.00 0.00 O ATOM 938 CB ALA A 66 4.546 2.052 -5.266 1.00 0.00 C ATOM 0 H ALA A 66 6.909 2.069 -5.301 1.00 0.00 H new ATOM 0 HA ALA A 66 5.085 0.637 -3.683 1.00 0.00 H new ATOM 0 HB1 ALA A 66 3.473 1.924 -5.125 1.00 0.00 H new ATOM 0 HB2 ALA A 66 4.881 2.934 -4.720 1.00 0.00 H new ATOM 0 HB3 ALA A 66 4.759 2.180 -6.327 1.00 0.00 H new ATOM 944 N ALA A 67 5.172 -0.795 -6.591 1.00 0.00 N ATOM 945 CA ALA A 67 4.757 -2.073 -7.289 1.00 0.00 C ATOM 946 C ALA A 67 5.633 -3.260 -6.839 1.00 0.00 C ATOM 947 O ALA A 67 5.215 -4.406 -6.773 1.00 0.00 O ATOM 948 CB ALA A 67 4.897 -1.874 -8.793 1.00 0.00 C ATOM 0 H ALA A 67 5.753 -0.173 -7.154 1.00 0.00 H new ATOM 0 HA ALA A 67 3.723 -2.300 -7.029 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.601 -2.787 -9.310 1.00 0.00 H new ATOM 0 HB2 ALA A 67 4.256 -1.052 -9.113 1.00 0.00 H new ATOM 0 HB3 ALA A 67 5.934 -1.640 -9.034 1.00 0.00 H new ATOM 954 N SER A 68 6.859 -2.951 -6.517 1.00 0.00 N ATOM 955 CA SER A 68 7.774 -4.022 -6.069 1.00 0.00 C ATOM 956 C SER A 68 7.073 -4.615 -4.872 1.00 0.00 C ATOM 957 O SER A 68 7.052 -5.817 -4.757 1.00 0.00 O ATOM 958 CB SER A 68 9.118 -3.400 -5.722 1.00 0.00 C ATOM 959 OG SER A 68 9.591 -4.082 -4.560 1.00 0.00 O ATOM 0 H SER A 68 7.258 -2.013 -6.546 1.00 0.00 H new ATOM 0 HA SER A 68 7.982 -4.790 -6.814 1.00 0.00 H new ATOM 0 HB2 SER A 68 9.821 -3.508 -6.548 1.00 0.00 H new ATOM 0 HB3 SER A 68 9.014 -2.332 -5.530 1.00 0.00 H new ATOM 0 HG SER A 68 9.759 -3.433 -3.845 1.00 0.00 H new ATOM 965 N ILE A 69 6.501 -3.800 -4.018 1.00 0.00 N ATOM 966 CA ILE A 69 5.819 -4.422 -2.849 1.00 0.00 C ATOM 967 C ILE A 69 4.801 -5.598 -3.177 1.00 0.00 C ATOM 968 O ILE A 69 4.986 -6.737 -2.754 1.00 0.00 O ATOM 969 CB ILE A 69 5.086 -3.315 -2.063 1.00 0.00 C ATOM 970 CG1 ILE A 69 5.942 -2.085 -1.707 1.00 0.00 C ATOM 971 CG2 ILE A 69 4.594 -3.962 -0.786 1.00 0.00 C ATOM 972 CD1 ILE A 69 6.913 -2.396 -0.515 1.00 0.00 C ATOM 0 H ILE A 69 6.477 -2.782 -4.075 1.00 0.00 H new ATOM 0 HA ILE A 69 6.610 -4.898 -2.269 1.00 0.00 H new ATOM 0 HB ILE A 69 4.292 -2.925 -2.699 1.00 0.00 H new ATOM 0 HG12 ILE A 69 6.519 -1.776 -2.578 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.292 -1.251 -1.442 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.064 -3.223 -0.185 1.00 0.00 H new ATOM 0 HG22 ILE A 69 3.919 -4.782 -1.030 1.00 0.00 H new ATOM 0 HG23 ILE A 69 5.444 -4.347 -0.222 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.504 -1.509 -0.286 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.332 -2.681 0.362 1.00 0.00 H new ATOM 0 HD13 ILE A 69 7.578 -3.214 -0.791 1.00 0.00 H new ATOM 984 N PRO A 70 3.739 -5.322 -3.923 1.00 0.00 N ATOM 985 CA PRO A 70 2.729 -6.346 -4.289 1.00 0.00 C ATOM 986 C PRO A 70 3.436 -7.478 -5.018 1.00 0.00 C ATOM 987 O PRO A 70 2.974 -8.601 -4.943 1.00 0.00 O ATOM 988 CB PRO A 70 1.686 -5.580 -5.139 1.00 0.00 C ATOM 989 CG PRO A 70 2.540 -4.495 -5.772 1.00 0.00 C ATOM 990 CD PRO A 70 3.359 -4.030 -4.548 1.00 0.00 C ATOM 0 HA PRO A 70 2.222 -6.819 -3.448 1.00 0.00 H new ATOM 0 HB2 PRO A 70 1.218 -6.220 -5.887 1.00 0.00 H new ATOM 0 HB3 PRO A 70 0.885 -5.165 -4.527 1.00 0.00 H new ATOM 0 HG2 PRO A 70 3.173 -4.880 -6.572 1.00 0.00 H new ATOM 0 HG3 PRO A 70 1.940 -3.691 -6.199 1.00 0.00 H new ATOM 0 HD2 PRO A 70 4.232 -3.445 -4.839 1.00 0.00 H new ATOM 0 HD3 PRO A 70 2.769 -3.409 -3.874 1.00 0.00 H new ATOM 998 N SER A 71 4.522 -7.162 -5.695 1.00 0.00 N ATOM 999 CA SER A 71 5.262 -8.243 -6.426 1.00 0.00 C ATOM 1000 C SER A 71 5.891 -9.128 -5.347 1.00 0.00 C ATOM 1001 O SER A 71 5.564 -10.288 -5.216 1.00 0.00 O ATOM 1002 CB SER A 71 6.334 -7.578 -7.325 1.00 0.00 C ATOM 1003 OG SER A 71 7.474 -8.429 -7.227 1.00 0.00 O ATOM 0 H SER A 71 4.918 -6.225 -5.771 1.00 0.00 H new ATOM 0 HA SER A 71 4.620 -8.845 -7.070 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.990 -7.496 -8.356 1.00 0.00 H new ATOM 0 HB3 SER A 71 6.564 -6.568 -6.985 1.00 0.00 H new ATOM 0 HG SER A 71 8.200 -8.068 -7.777 1.00 0.00 H new ATOM 1009 N LYS A 72 6.774 -8.526 -4.603 1.00 0.00 N ATOM 1010 CA LYS A 72 7.501 -9.202 -3.495 1.00 0.00 C ATOM 1011 C LYS A 72 6.653 -10.232 -2.787 1.00 0.00 C ATOM 1012 O LYS A 72 7.000 -11.397 -2.799 1.00 0.00 O ATOM 1013 CB LYS A 72 7.931 -8.138 -2.550 1.00 0.00 C ATOM 1014 CG LYS A 72 9.118 -7.416 -3.162 1.00 0.00 C ATOM 1015 CD LYS A 72 9.245 -6.058 -2.491 1.00 0.00 C ATOM 1016 CE LYS A 72 9.100 -6.116 -0.974 1.00 0.00 C ATOM 1017 NZ LYS A 72 10.068 -7.099 -0.400 1.00 0.00 N ATOM 0 H LYS A 72 7.032 -7.547 -4.725 1.00 0.00 H new ATOM 0 HA LYS A 72 8.353 -9.749 -3.898 1.00 0.00 H new ATOM 0 HB2 LYS A 72 7.114 -7.440 -2.366 1.00 0.00 H new ATOM 0 HB3 LYS A 72 8.204 -8.571 -1.588 1.00 0.00 H new ATOM 0 HG2 LYS A 72 10.030 -7.996 -3.021 1.00 0.00 H new ATOM 0 HG3 LYS A 72 8.978 -7.298 -4.236 1.00 0.00 H new ATOM 0 HD2 LYS A 72 10.215 -5.627 -2.740 1.00 0.00 H new ATOM 0 HD3 LYS A 72 8.486 -5.389 -2.896 1.00 0.00 H new ATOM 0 HE2 LYS A 72 9.276 -5.129 -0.547 1.00 0.00 H new ATOM 0 HE3 LYS A 72 8.082 -6.401 -0.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 9.550 -7.921 -0.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 10.727 -7.411 -1.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 10.603 -6.650 0.371 1.00 0.00 H new ATOM 1031 N CYS A 73 5.570 -9.798 -2.191 1.00 0.00 N ATOM 1032 CA CYS A 73 4.742 -10.845 -1.494 1.00 0.00 C ATOM 1033 C CYS A 73 3.565 -11.324 -2.339 1.00 0.00 C ATOM 1034 O CYS A 73 2.502 -11.573 -1.817 1.00 0.00 O ATOM 1035 CB CYS A 73 4.235 -10.289 -0.132 1.00 0.00 C ATOM 1036 SG CYS A 73 5.488 -10.127 1.167 1.00 0.00 S ATOM 0 H CYS A 73 5.235 -8.835 -2.152 1.00 0.00 H new ATOM 0 HA CYS A 73 5.383 -11.711 -1.328 1.00 0.00 H new ATOM 0 HB2 CYS A 73 3.788 -9.310 -0.304 1.00 0.00 H new ATOM 0 HB3 CYS A 73 3.442 -10.942 0.233 1.00 0.00 H new ATOM 1041 N ASN A 74 3.783 -11.461 -3.617 1.00 0.00 N ATOM 1042 CA ASN A 74 2.743 -11.925 -4.583 1.00 0.00 C ATOM 1043 C ASN A 74 1.302 -11.681 -4.091 1.00 0.00 C ATOM 1044 O ASN A 74 0.567 -12.569 -3.687 1.00 0.00 O ATOM 1045 CB ASN A 74 3.093 -13.404 -4.814 1.00 0.00 C ATOM 1046 CG ASN A 74 4.433 -13.406 -5.525 1.00 0.00 C ATOM 1047 OD1 ASN A 74 4.489 -13.223 -6.716 1.00 0.00 O ATOM 1048 ND2 ASN A 74 5.544 -13.587 -4.888 1.00 0.00 N ATOM 0 H ASN A 74 4.683 -11.260 -4.052 1.00 0.00 H new ATOM 0 HA ASN A 74 2.755 -11.361 -5.516 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.151 -13.944 -3.869 1.00 0.00 H new ATOM 0 HB3 ASN A 74 2.330 -13.897 -5.417 1.00 0.00 H new ATOM 0 HD21 ASN A 74 6.430 -13.572 -5.393 1.00 0.00 H new ATOM 0 HD22 ASN A 74 5.534 -13.745 -3.880 1.00 0.00 H new ATOM 1055 N VAL A 75 0.995 -10.410 -4.158 1.00 0.00 N ATOM 1056 CA VAL A 75 -0.362 -9.942 -3.725 1.00 0.00 C ATOM 1057 C VAL A 75 -1.266 -9.531 -4.912 1.00 0.00 C ATOM 1058 O VAL A 75 -2.315 -8.956 -4.704 1.00 0.00 O ATOM 1059 CB VAL A 75 -0.208 -8.722 -2.746 1.00 0.00 C ATOM 1060 CG1 VAL A 75 -1.318 -8.787 -1.706 1.00 0.00 C ATOM 1061 CG2 VAL A 75 1.115 -8.687 -1.973 1.00 0.00 C ATOM 0 H VAL A 75 1.621 -9.677 -4.492 1.00 0.00 H new ATOM 0 HA VAL A 75 -0.845 -10.783 -3.226 1.00 0.00 H new ATOM 0 HB VAL A 75 -0.248 -7.834 -3.376 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -1.223 -7.946 -1.020 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -2.286 -8.742 -2.204 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.240 -9.721 -1.149 1.00 0.00 H new ATOM 0 HG21 VAL A 75 1.134 -7.812 -1.323 1.00 0.00 H new ATOM 0 HG22 VAL A 75 1.208 -9.590 -1.369 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.946 -8.634 -2.676 1.00 0.00 H new ATOM 1071 N ASN A 76 -0.847 -9.844 -6.116 1.00 0.00 N ATOM 1072 CA ASN A 76 -1.630 -9.510 -7.379 1.00 0.00 C ATOM 1073 C ASN A 76 -2.741 -8.416 -7.234 1.00 0.00 C ATOM 1074 O ASN A 76 -3.918 -8.730 -7.273 1.00 0.00 O ATOM 1075 CB ASN A 76 -2.219 -10.868 -7.849 1.00 0.00 C ATOM 1076 CG ASN A 76 -2.988 -11.583 -6.722 1.00 0.00 C ATOM 1077 OD1 ASN A 76 -3.623 -10.944 -5.787 1.00 0.00 O flip ATOM 1078 ND2 ASN A 76 -3.026 -12.789 -6.673 1.00 0.00 N flip ATOM 0 H ASN A 76 0.031 -10.332 -6.293 1.00 0.00 H new ATOM 0 HA ASN A 76 -0.958 -9.048 -8.103 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -2.887 -10.701 -8.694 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -1.412 -11.511 -8.202 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -2.545 -13.344 -7.381 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -3.539 -13.253 -5.923 1.00 0.00 H new ATOM 1085 N VAL A 77 -2.354 -7.172 -7.080 1.00 0.00 N ATOM 1086 CA VAL A 77 -3.411 -6.105 -6.919 1.00 0.00 C ATOM 1087 C VAL A 77 -3.293 -4.703 -7.621 1.00 0.00 C ATOM 1088 O VAL A 77 -2.217 -4.140 -7.667 1.00 0.00 O ATOM 1089 CB VAL A 77 -3.530 -5.981 -5.396 1.00 0.00 C ATOM 1090 CG1 VAL A 77 -2.266 -5.345 -4.763 1.00 0.00 C ATOM 1091 CG2 VAL A 77 -4.761 -5.218 -5.025 1.00 0.00 C ATOM 0 H VAL A 77 -1.387 -6.849 -7.058 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.288 -6.440 -7.473 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.614 -6.990 -4.991 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -2.395 -5.277 -3.683 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.397 -5.964 -4.986 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -2.116 -4.347 -5.174 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.828 -5.141 -3.940 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.714 -4.219 -5.458 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -5.640 -5.738 -5.406 1.00 0.00 H new ATOM 1101 N PRO A 78 -4.393 -4.172 -8.136 1.00 0.00 N ATOM 1102 CA PRO A 78 -4.472 -2.763 -8.639 1.00 0.00 C ATOM 1103 C PRO A 78 -3.944 -1.672 -7.692 1.00 0.00 C ATOM 1104 O PRO A 78 -3.244 -0.762 -8.091 1.00 0.00 O ATOM 1105 CB PRO A 78 -5.955 -2.581 -8.981 1.00 0.00 C ATOM 1106 CG PRO A 78 -6.381 -4.008 -9.389 1.00 0.00 C ATOM 1107 CD PRO A 78 -5.705 -4.874 -8.316 1.00 0.00 C ATOM 0 HA PRO A 78 -3.804 -2.632 -9.490 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -6.526 -2.215 -8.128 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -6.100 -1.867 -9.792 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -7.465 -4.126 -9.383 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -6.039 -4.263 -10.392 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -6.282 -4.905 -7.392 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -5.575 -5.905 -8.645 1.00 0.00 H new ATOM 1115 N TYR A 79 -4.289 -1.785 -6.441 1.00 0.00 N ATOM 1116 CA TYR A 79 -3.817 -0.754 -5.477 1.00 0.00 C ATOM 1117 C TYR A 79 -2.472 -1.062 -4.801 1.00 0.00 C ATOM 1118 O TYR A 79 -2.262 -2.042 -4.119 1.00 0.00 O ATOM 1119 CB TYR A 79 -4.947 -0.563 -4.448 1.00 0.00 C ATOM 1120 CG TYR A 79 -5.443 -1.846 -3.791 1.00 0.00 C ATOM 1121 CD1 TYR A 79 -4.734 -2.449 -2.769 1.00 0.00 C ATOM 1122 CD2 TYR A 79 -6.636 -2.394 -4.206 1.00 0.00 C ATOM 1123 CE1 TYR A 79 -5.222 -3.590 -2.169 1.00 0.00 C ATOM 1124 CE2 TYR A 79 -7.107 -3.531 -3.596 1.00 0.00 C ATOM 1125 CZ TYR A 79 -6.407 -4.120 -2.592 1.00 0.00 C ATOM 1126 OH TYR A 79 -6.912 -5.252 -2.012 1.00 0.00 O ATOM 0 H TYR A 79 -4.865 -2.530 -6.050 1.00 0.00 H new ATOM 0 HA TYR A 79 -3.608 0.164 -6.026 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -4.598 0.115 -3.669 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -5.788 -0.076 -4.941 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -3.796 -2.026 -2.440 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -7.197 -1.933 -5.005 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -4.670 -4.062 -1.369 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -8.044 -3.961 -3.918 1.00 0.00 H new ATOM 0 HH TYR A 79 -7.302 -5.827 -2.703 1.00 0.00 H new ATOM 1136 N THR A 80 -1.575 -0.151 -5.034 1.00 0.00 N ATOM 1137 CA THR A 80 -0.183 -0.242 -4.491 1.00 0.00 C ATOM 1138 C THR A 80 0.113 1.121 -3.915 1.00 0.00 C ATOM 1139 O THR A 80 -0.137 2.064 -4.632 1.00 0.00 O ATOM 1140 CB THR A 80 0.810 -0.561 -5.638 1.00 0.00 C ATOM 1141 OG1 THR A 80 0.888 0.572 -6.498 1.00 0.00 O ATOM 1142 CG2 THR A 80 0.203 -1.542 -6.620 1.00 0.00 C ATOM 0 H THR A 80 -1.749 0.682 -5.596 1.00 0.00 H new ATOM 0 HA THR A 80 -0.086 -1.029 -3.743 1.00 0.00 H new ATOM 0 HB THR A 80 1.732 -0.891 -5.159 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.261 1.260 -6.191 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.918 -1.750 -7.416 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.044 -2.469 -6.103 1.00 0.00 H new ATOM 0 HG23 THR A 80 -0.703 -1.114 -7.049 1.00 0.00 H new ATOM 1150 N ILE A 81 0.596 1.217 -2.712 1.00 0.00 N ATOM 1151 CA ILE A 81 0.924 2.552 -2.057 1.00 0.00 C ATOM 1152 C ILE A 81 1.029 3.844 -2.971 1.00 0.00 C ATOM 1153 O ILE A 81 2.051 4.489 -3.126 1.00 0.00 O ATOM 1154 CB ILE A 81 2.232 2.246 -1.279 1.00 0.00 C ATOM 1155 CG1 ILE A 81 2.813 3.414 -0.507 1.00 0.00 C ATOM 1156 CG2 ILE A 81 3.307 1.738 -2.254 1.00 0.00 C ATOM 1157 CD1 ILE A 81 1.791 3.961 0.515 1.00 0.00 C ATOM 0 H ILE A 81 0.790 0.409 -2.120 1.00 0.00 H new ATOM 0 HA ILE A 81 0.081 2.867 -1.443 1.00 0.00 H new ATOM 0 HB ILE A 81 1.949 1.495 -0.541 1.00 0.00 H new ATOM 0 HG12 ILE A 81 3.719 3.098 0.011 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.101 4.205 -1.199 1.00 0.00 H new ATOM 0 HG21 ILE A 81 4.224 1.524 -1.705 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.955 0.829 -2.742 1.00 0.00 H new ATOM 0 HG23 ILE A 81 3.505 2.501 -3.007 1.00 0.00 H new ATOM 0 HD11 ILE A 81 2.231 4.798 1.057 1.00 0.00 H new ATOM 0 HD12 ILE A 81 0.897 4.298 -0.009 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.524 3.173 1.220 1.00 0.00 H new ATOM 1169 N SER A 82 -0.065 4.210 -3.595 1.00 0.00 N ATOM 1170 CA SER A 82 -0.071 5.420 -4.486 1.00 0.00 C ATOM 1171 C SER A 82 -1.327 6.311 -4.549 1.00 0.00 C ATOM 1172 O SER A 82 -2.428 5.832 -4.362 1.00 0.00 O ATOM 1173 CB SER A 82 0.286 4.923 -5.906 1.00 0.00 C ATOM 1174 OG SER A 82 1.707 4.953 -5.864 1.00 0.00 O ATOM 0 H SER A 82 -0.959 3.723 -3.527 1.00 0.00 H new ATOM 0 HA SER A 82 0.649 6.101 -4.031 1.00 0.00 H new ATOM 0 HB2 SER A 82 -0.098 3.921 -6.099 1.00 0.00 H new ATOM 0 HB3 SER A 82 -0.116 5.574 -6.682 1.00 0.00 H new ATOM 0 HG SER A 82 2.010 4.820 -4.942 1.00 0.00 H new ATOM 1180 N PRO A 83 -1.134 7.592 -4.816 1.00 0.00 N ATOM 1181 CA PRO A 83 -2.223 8.481 -5.325 1.00 0.00 C ATOM 1182 C PRO A 83 -3.077 7.863 -6.457 1.00 0.00 C ATOM 1183 O PRO A 83 -4.291 7.969 -6.439 1.00 0.00 O ATOM 1184 CB PRO A 83 -1.475 9.784 -5.742 1.00 0.00 C ATOM 1185 CG PRO A 83 0.007 9.349 -5.841 1.00 0.00 C ATOM 1186 CD PRO A 83 0.150 8.361 -4.691 1.00 0.00 C ATOM 0 HA PRO A 83 -2.981 8.664 -4.564 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -1.843 10.168 -6.693 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -1.610 10.575 -5.005 1.00 0.00 H new ATOM 0 HG2 PRO A 83 0.228 8.885 -6.802 1.00 0.00 H new ATOM 0 HG3 PRO A 83 0.685 10.196 -5.732 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.026 7.722 -4.802 1.00 0.00 H new ATOM 0 HD3 PRO A 83 0.240 8.860 -3.726 1.00 0.00 H new ATOM 1194 N ASP A 84 -2.406 7.232 -7.387 1.00 0.00 N ATOM 1195 CA ASP A 84 -3.076 6.586 -8.553 1.00 0.00 C ATOM 1196 C ASP A 84 -3.679 5.192 -8.206 1.00 0.00 C ATOM 1197 O ASP A 84 -3.628 4.228 -8.941 1.00 0.00 O ATOM 1198 CB ASP A 84 -1.979 6.522 -9.680 1.00 0.00 C ATOM 1199 CG ASP A 84 -2.583 6.139 -11.036 1.00 0.00 C ATOM 1200 OD1 ASP A 84 -3.726 6.506 -11.257 1.00 0.00 O ATOM 1201 OD2 ASP A 84 -1.858 5.506 -11.783 1.00 0.00 O ATOM 0 H ASP A 84 -1.391 7.136 -7.384 1.00 0.00 H new ATOM 0 HA ASP A 84 -3.942 7.160 -8.882 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -1.484 7.490 -9.762 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -1.215 5.796 -9.404 1.00 0.00 H new ATOM 1206 N ILE A 85 -4.238 5.103 -7.031 1.00 0.00 N ATOM 1207 CA ILE A 85 -4.870 3.813 -6.592 1.00 0.00 C ATOM 1208 C ILE A 85 -6.392 3.831 -6.788 1.00 0.00 C ATOM 1209 O ILE A 85 -7.014 4.813 -6.443 1.00 0.00 O ATOM 1210 CB ILE A 85 -4.548 3.560 -5.093 1.00 0.00 C ATOM 1211 CG1 ILE A 85 -3.217 2.876 -4.977 1.00 0.00 C ATOM 1212 CG2 ILE A 85 -5.624 2.596 -4.527 1.00 0.00 C ATOM 1213 CD1 ILE A 85 -2.862 2.705 -3.496 1.00 0.00 C ATOM 0 H ILE A 85 -4.288 5.863 -6.352 1.00 0.00 H new ATOM 0 HA ILE A 85 -4.459 3.013 -7.208 1.00 0.00 H new ATOM 0 HB ILE A 85 -4.534 4.506 -4.552 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -3.251 1.904 -5.469 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -2.449 3.462 -5.481 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -5.421 2.402 -3.474 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -6.609 3.051 -4.628 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -5.599 1.657 -5.081 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -1.896 2.208 -3.408 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -2.812 3.684 -3.019 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -3.626 2.101 -3.006 1.00 0.00 H new ATOM 1225 N ASP A 86 -7.002 2.788 -7.284 1.00 0.00 N ATOM 1226 CA ASP A 86 -8.483 2.864 -7.444 1.00 0.00 C ATOM 1227 C ASP A 86 -9.207 2.229 -6.214 1.00 0.00 C ATOM 1228 O ASP A 86 -9.960 1.276 -6.264 1.00 0.00 O ATOM 1229 CB ASP A 86 -8.832 2.160 -8.777 1.00 0.00 C ATOM 1230 CG ASP A 86 -10.267 2.551 -9.167 1.00 0.00 C ATOM 1231 OD1 ASP A 86 -11.172 2.196 -8.429 1.00 0.00 O ATOM 1232 OD2 ASP A 86 -10.393 3.191 -10.201 1.00 0.00 O ATOM 0 H ASP A 86 -6.559 1.917 -7.576 1.00 0.00 H new ATOM 0 HA ASP A 86 -8.827 3.898 -7.482 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -8.132 2.457 -9.558 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -8.749 1.079 -8.669 1.00 0.00 H new ATOM 1237 N CYS A 87 -8.892 2.820 -5.091 1.00 0.00 N ATOM 1238 CA CYS A 87 -9.451 2.441 -3.750 1.00 0.00 C ATOM 1239 C CYS A 87 -10.949 2.050 -3.857 1.00 0.00 C ATOM 1240 O CYS A 87 -11.447 1.097 -3.296 1.00 0.00 O ATOM 1241 CB CYS A 87 -9.276 3.656 -2.858 1.00 0.00 C ATOM 1242 SG CYS A 87 -7.641 4.384 -2.673 1.00 0.00 S ATOM 0 H CYS A 87 -8.231 3.596 -5.045 1.00 0.00 H new ATOM 0 HA CYS A 87 -8.933 1.572 -3.344 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -9.941 4.435 -3.231 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -9.629 3.385 -1.863 1.00 0.00 H new ATOM 1247 N SER A 88 -11.539 2.924 -4.628 1.00 0.00 N ATOM 1248 CA SER A 88 -12.973 2.976 -5.027 1.00 0.00 C ATOM 1249 C SER A 88 -13.717 1.695 -5.403 1.00 0.00 C ATOM 1250 O SER A 88 -14.543 1.234 -4.636 1.00 0.00 O ATOM 1251 CB SER A 88 -13.022 3.994 -6.170 1.00 0.00 C ATOM 1252 OG SER A 88 -12.463 5.158 -5.565 1.00 0.00 O ATOM 0 H SER A 88 -11.011 3.692 -5.041 1.00 0.00 H new ATOM 0 HA SER A 88 -13.526 3.236 -4.124 1.00 0.00 H new ATOM 0 HB2 SER A 88 -12.442 3.665 -7.032 1.00 0.00 H new ATOM 0 HB3 SER A 88 -14.041 4.166 -6.518 1.00 0.00 H new ATOM 0 HG SER A 88 -12.441 5.042 -4.592 1.00 0.00 H new ATOM 1258 N ARG A 89 -13.413 1.164 -6.558 1.00 0.00 N ATOM 1259 CA ARG A 89 -14.095 -0.092 -7.024 1.00 0.00 C ATOM 1260 C ARG A 89 -13.176 -1.300 -6.913 1.00 0.00 C ATOM 1261 O ARG A 89 -13.638 -2.378 -6.590 1.00 0.00 O ATOM 1262 CB ARG A 89 -14.562 0.089 -8.507 1.00 0.00 C ATOM 1263 CG ARG A 89 -13.428 0.699 -9.338 1.00 0.00 C ATOM 1264 CD ARG A 89 -13.735 0.682 -10.827 1.00 0.00 C ATOM 1265 NE ARG A 89 -12.719 -0.228 -11.449 1.00 0.00 N ATOM 1266 CZ ARG A 89 -11.803 0.184 -12.237 1.00 0.00 C ATOM 1267 NH1 ARG A 89 -11.207 1.285 -11.975 1.00 0.00 N ATOM 1268 NH2 ARG A 89 -11.561 -0.561 -13.238 1.00 0.00 N ATOM 0 H ARG A 89 -12.721 1.543 -7.204 1.00 0.00 H new ATOM 0 HA ARG A 89 -14.958 -0.271 -6.382 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -14.855 -0.874 -8.926 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -15.440 0.733 -8.545 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -13.255 1.726 -9.016 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -12.506 0.148 -9.152 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -14.747 0.322 -11.012 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -13.671 1.685 -11.250 1.00 0.00 H new ATOM 0 HE ARG A 89 -12.762 -1.224 -11.232 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -11.466 1.820 -11.146 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -10.473 1.628 -12.595 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -12.086 -1.425 -13.369 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -10.841 -0.294 -13.910 1.00 0.00 H new