USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 697 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 41 ASN : amide:sc= 1.01 K(o=1.2,f=0.55) USER MOD Set 1.2: A 55 THR OG1 : rot 180:sc= 0.2 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot -145:sc= 1.12 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 23 TYR OH : rot -162:sc= 0.0344 USER MOD Single : A 27 SER OG : rot -21:sc= 0.086 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot -135:sc= 0.0133 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.022 USER MOD Single : A 37 ASN : amide:sc= -0.0278 X(o=-0.028,f=-0.42) USER MOD Single : A 39 THR OG1 : rot -160:sc= 0.082 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -149:sc= 1.01 (180deg=0.432) USER MOD Single : A 76 THR OG1 : rot 154:sc= 1.28 USER MOD Single : A 83 GLN :FLIP amide:sc= 0 F(o=-0.76,f=0) USER MOD Single : A 84 THR OG1 : rot 78:sc= 1.25 USER MOD Single : A 89 ASN : amide:sc= 1.91 K(o=1.9,f=-1.8!) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 75 N VAL A 6 6.632 -9.888 -9.093 1.00 0.00 N ATOM 76 CA VAL A 6 6.112 -10.492 -10.333 1.00 0.00 C ATOM 77 C VAL A 6 7.113 -10.431 -11.509 1.00 0.00 C ATOM 78 O VAL A 6 7.390 -11.491 -12.081 1.00 0.00 O ATOM 79 CB VAL A 6 4.717 -9.928 -10.691 1.00 0.00 C ATOM 80 CG1 VAL A 6 4.175 -10.499 -12.008 1.00 0.00 C ATOM 81 CG2 VAL A 6 3.694 -10.247 -9.592 1.00 0.00 C ATOM 0 HA VAL A 6 5.983 -11.556 -10.135 1.00 0.00 H new ATOM 0 HB VAL A 6 4.851 -8.851 -10.793 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.194 -10.071 -12.214 1.00 0.00 H new ATOM 0 HG12 VAL A 6 4.857 -10.249 -12.821 1.00 0.00 H new ATOM 0 HG13 VAL A 6 4.089 -11.583 -11.927 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.722 -9.839 -9.870 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.613 -11.327 -9.473 1.00 0.00 H new ATOM 0 HG23 VAL A 6 4.019 -9.802 -8.652 1.00 0.00 H new ATOM 91 N PRO A 7 7.682 -9.264 -11.895 1.00 0.00 N ATOM 92 CA PRO A 7 8.686 -9.189 -12.961 1.00 0.00 C ATOM 93 C PRO A 7 10.104 -9.555 -12.480 1.00 0.00 C ATOM 94 O PRO A 7 10.390 -9.639 -11.282 1.00 0.00 O ATOM 95 CB PRO A 7 8.627 -7.745 -13.460 1.00 0.00 C ATOM 96 CG PRO A 7 8.337 -6.982 -12.170 1.00 0.00 C ATOM 97 CD PRO A 7 7.372 -7.915 -11.435 1.00 0.00 C ATOM 0 HA PRO A 7 8.469 -9.912 -13.747 1.00 0.00 H new ATOM 0 HB2 PRO A 7 9.565 -7.432 -13.918 1.00 0.00 H new ATOM 0 HB3 PRO A 7 7.845 -7.601 -14.205 1.00 0.00 H new ATOM 0 HG2 PRO A 7 9.244 -6.803 -11.593 1.00 0.00 H new ATOM 0 HG3 PRO A 7 7.887 -6.009 -12.368 1.00 0.00 H new ATOM 0 HD2 PRO A 7 7.498 -7.833 -10.355 1.00 0.00 H new ATOM 0 HD3 PRO A 7 6.336 -7.657 -11.656 1.00 0.00 H new ATOM 105 N GLY A 8 11.011 -9.726 -13.447 1.00 0.00 N ATOM 106 CA GLY A 8 12.446 -9.969 -13.229 1.00 0.00 C ATOM 107 C GLY A 8 13.101 -10.811 -14.333 1.00 0.00 C ATOM 108 O GLY A 8 12.469 -11.716 -14.882 1.00 0.00 O ATOM 0 H GLY A 8 10.762 -9.699 -14.436 1.00 0.00 H new ATOM 0 HA2 GLY A 8 12.962 -9.011 -13.160 1.00 0.00 H new ATOM 0 HA3 GLY A 8 12.579 -10.473 -12.272 1.00 0.00 H new ATOM 112 N LEU A 9 14.367 -10.514 -14.665 1.00 0.00 N ATOM 113 CA LEU A 9 15.170 -11.271 -15.647 1.00 0.00 C ATOM 114 C LEU A 9 16.672 -11.377 -15.288 1.00 0.00 C ATOM 115 O LEU A 9 17.531 -11.394 -16.171 1.00 0.00 O ATOM 116 CB LEU A 9 14.852 -10.806 -17.092 1.00 0.00 C ATOM 117 CG LEU A 9 15.003 -9.313 -17.456 1.00 0.00 C ATOM 118 CD1 LEU A 9 16.446 -8.828 -17.566 1.00 0.00 C ATOM 119 CD2 LEU A 9 14.341 -9.043 -18.807 1.00 0.00 C ATOM 0 H LEU A 9 14.873 -9.729 -14.254 1.00 0.00 H new ATOM 0 HA LEU A 9 14.859 -12.315 -15.598 1.00 0.00 H new ATOM 0 HB2 LEU A 9 15.492 -11.374 -17.767 1.00 0.00 H new ATOM 0 HB3 LEU A 9 13.824 -11.094 -17.310 1.00 0.00 H new ATOM 0 HG LEU A 9 14.530 -8.774 -16.635 1.00 0.00 H new ATOM 0 HD11 LEU A 9 16.455 -7.769 -17.825 1.00 0.00 H new ATOM 0 HD12 LEU A 9 16.952 -8.973 -16.612 1.00 0.00 H new ATOM 0 HD13 LEU A 9 16.962 -9.395 -18.340 1.00 0.00 H new ATOM 0 HD21 LEU A 9 14.449 -7.989 -19.061 1.00 0.00 H new ATOM 0 HD22 LEU A 9 14.819 -9.652 -19.574 1.00 0.00 H new ATOM 0 HD23 LEU A 9 13.282 -9.296 -18.750 1.00 0.00 H new ATOM 131 N LEU A 10 16.991 -11.483 -13.987 1.00 0.00 N ATOM 132 CA LEU A 10 18.360 -11.747 -13.523 1.00 0.00 C ATOM 133 C LEU A 10 18.835 -13.085 -14.103 1.00 0.00 C ATOM 134 O LEU A 10 18.231 -14.132 -13.852 1.00 0.00 O ATOM 135 CB LEU A 10 18.450 -11.770 -11.980 1.00 0.00 C ATOM 136 CG LEU A 10 18.445 -10.380 -11.314 1.00 0.00 C ATOM 137 CD1 LEU A 10 17.831 -10.445 -9.914 1.00 0.00 C ATOM 138 CD2 LEU A 10 19.861 -9.822 -11.151 1.00 0.00 C ATOM 0 H LEU A 10 16.311 -11.389 -13.233 1.00 0.00 H new ATOM 0 HA LEU A 10 19.004 -10.939 -13.870 1.00 0.00 H new ATOM 0 HB2 LEU A 10 17.613 -12.348 -11.589 1.00 0.00 H new ATOM 0 HB3 LEU A 10 19.361 -12.293 -11.690 1.00 0.00 H new ATOM 0 HG LEU A 10 17.859 -9.735 -11.969 1.00 0.00 H new ATOM 0 HD11 LEU A 10 17.840 -9.451 -9.466 1.00 0.00 H new ATOM 0 HD12 LEU A 10 16.804 -10.803 -9.983 1.00 0.00 H new ATOM 0 HD13 LEU A 10 18.412 -11.128 -9.293 1.00 0.00 H new ATOM 0 HD21 LEU A 10 19.813 -8.841 -10.678 1.00 0.00 H new ATOM 0 HD22 LEU A 10 20.449 -10.497 -10.529 1.00 0.00 H new ATOM 0 HD23 LEU A 10 20.331 -9.730 -12.130 1.00 0.00 H new ATOM 150 N THR A 11 19.936 -13.032 -14.851 1.00 0.00 N ATOM 151 CA THR A 11 20.630 -14.203 -15.390 1.00 0.00 C ATOM 152 C THR A 11 22.086 -14.207 -14.935 1.00 0.00 C ATOM 153 O THR A 11 22.746 -13.168 -14.883 1.00 0.00 O ATOM 154 CB THR A 11 20.515 -14.267 -16.925 1.00 0.00 C ATOM 155 OG1 THR A 11 19.164 -14.484 -17.288 1.00 0.00 O ATOM 156 CG2 THR A 11 21.332 -15.395 -17.558 1.00 0.00 C ATOM 0 H THR A 11 20.382 -12.151 -15.106 1.00 0.00 H new ATOM 0 HA THR A 11 20.149 -15.099 -14.999 1.00 0.00 H new ATOM 0 HB THR A 11 20.902 -13.316 -17.290 1.00 0.00 H new ATOM 0 HG1 THR A 11 19.090 -14.523 -18.264 1.00 0.00 H new ATOM 0 HG21 THR A 11 21.201 -15.376 -18.640 1.00 0.00 H new ATOM 0 HG22 THR A 11 22.387 -15.259 -17.318 1.00 0.00 H new ATOM 0 HG23 THR A 11 20.991 -16.354 -17.168 1.00 0.00 H new ATOM 164 N ASP A 12 22.593 -15.393 -14.618 1.00 0.00 N ATOM 165 CA ASP A 12 23.986 -15.678 -14.288 1.00 0.00 C ATOM 166 C ASP A 12 24.891 -15.646 -15.539 1.00 0.00 C ATOM 167 O ASP A 12 25.483 -16.653 -15.936 1.00 0.00 O ATOM 168 CB ASP A 12 24.062 -17.000 -13.501 1.00 0.00 C ATOM 169 CG ASP A 12 23.562 -18.238 -14.277 1.00 0.00 C ATOM 170 OD1 ASP A 12 22.408 -18.228 -14.776 1.00 0.00 O ATOM 171 OD2 ASP A 12 24.290 -19.260 -14.333 1.00 0.00 O ATOM 0 H ASP A 12 22.010 -16.229 -14.582 1.00 0.00 H new ATOM 0 HA ASP A 12 24.377 -14.890 -13.644 1.00 0.00 H new ATOM 0 HB2 ASP A 12 25.096 -17.169 -13.199 1.00 0.00 H new ATOM 0 HB3 ASP A 12 23.476 -16.898 -12.588 1.00 0.00 H new ATOM 176 N HIS A 13 25.026 -14.468 -16.167 1.00 0.00 N ATOM 177 CA HIS A 13 25.967 -14.219 -17.276 1.00 0.00 C ATOM 178 C HIS A 13 27.410 -14.048 -16.756 1.00 0.00 C ATOM 179 O HIS A 13 28.156 -13.148 -17.150 1.00 0.00 O ATOM 180 CB HIS A 13 25.459 -13.075 -18.181 1.00 0.00 C ATOM 181 CG HIS A 13 25.142 -13.545 -19.578 1.00 0.00 C ATOM 182 ND1 HIS A 13 26.073 -13.728 -20.607 1.00 0.00 N ATOM 183 CD2 HIS A 13 23.909 -13.915 -20.027 1.00 0.00 C ATOM 184 CE1 HIS A 13 25.372 -14.194 -21.657 1.00 0.00 C ATOM 185 NE2 HIS A 13 24.072 -14.315 -21.337 1.00 0.00 N ATOM 0 H HIS A 13 24.476 -13.646 -15.916 1.00 0.00 H new ATOM 0 HA HIS A 13 26.008 -15.096 -17.922 1.00 0.00 H new ATOM 0 HB2 HIS A 13 24.566 -12.634 -17.738 1.00 0.00 H new ATOM 0 HB3 HIS A 13 26.213 -12.290 -18.227 1.00 0.00 H new ATOM 0 HD2 HIS A 13 22.986 -13.898 -19.467 1.00 0.00 H new ATOM 0 HE1 HIS A 13 25.794 -14.437 -22.621 1.00 0.00 H new ATOM 0 HE2 HIS A 13 23.333 -14.646 -21.957 1.00 0.00 H new ATOM 193 N THR A 14 27.789 -14.890 -15.791 1.00 0.00 N ATOM 194 CA THR A 14 28.992 -14.742 -14.976 1.00 0.00 C ATOM 195 C THR A 14 29.792 -16.052 -14.880 1.00 0.00 C ATOM 196 O THR A 14 29.231 -17.108 -14.583 1.00 0.00 O ATOM 197 CB THR A 14 28.670 -14.154 -13.592 1.00 0.00 C ATOM 198 OG1 THR A 14 27.792 -14.985 -12.868 1.00 0.00 O ATOM 199 CG2 THR A 14 27.986 -12.785 -13.639 1.00 0.00 C ATOM 0 H THR A 14 27.247 -15.720 -15.550 1.00 0.00 H new ATOM 0 HA THR A 14 29.636 -14.025 -15.484 1.00 0.00 H new ATOM 0 HB THR A 14 29.648 -14.065 -13.118 1.00 0.00 H new ATOM 0 HG1 THR A 14 27.609 -14.584 -11.993 1.00 0.00 H new ATOM 0 HG21 THR A 14 27.793 -12.440 -12.623 1.00 0.00 H new ATOM 0 HG22 THR A 14 28.634 -12.072 -14.148 1.00 0.00 H new ATOM 0 HG23 THR A 14 27.043 -12.868 -14.180 1.00 0.00 H new ATOM 207 N VAL A 15 31.103 -16.001 -15.176 1.00 0.00 N ATOM 208 CA VAL A 15 31.965 -17.191 -15.396 1.00 0.00 C ATOM 209 C VAL A 15 33.336 -17.115 -14.697 1.00 0.00 C ATOM 210 O VAL A 15 34.342 -17.626 -15.196 1.00 0.00 O ATOM 211 CB VAL A 15 32.086 -17.551 -16.897 1.00 0.00 C ATOM 212 CG1 VAL A 15 30.710 -17.928 -17.457 1.00 0.00 C ATOM 213 CG2 VAL A 15 32.670 -16.448 -17.787 1.00 0.00 C ATOM 0 H VAL A 15 31.608 -15.120 -15.272 1.00 0.00 H new ATOM 0 HA VAL A 15 31.448 -18.015 -14.905 1.00 0.00 H new ATOM 0 HB VAL A 15 32.788 -18.384 -16.925 1.00 0.00 H new ATOM 0 HG11 VAL A 15 30.804 -18.180 -18.513 1.00 0.00 H new ATOM 0 HG12 VAL A 15 30.318 -18.787 -16.912 1.00 0.00 H new ATOM 0 HG13 VAL A 15 30.028 -17.085 -17.344 1.00 0.00 H new ATOM 0 HG21 VAL A 15 32.713 -16.798 -18.818 1.00 0.00 H new ATOM 0 HG22 VAL A 15 32.038 -15.562 -17.730 1.00 0.00 H new ATOM 0 HG23 VAL A 15 33.675 -16.199 -17.446 1.00 0.00 H new ATOM 223 N SER A 16 33.362 -16.518 -13.502 1.00 0.00 N ATOM 224 CA SER A 16 34.569 -16.379 -12.658 1.00 0.00 C ATOM 225 C SER A 16 34.274 -16.682 -11.188 1.00 0.00 C ATOM 226 O SER A 16 33.126 -16.588 -10.769 1.00 0.00 O ATOM 227 CB SER A 16 35.171 -14.982 -12.830 1.00 0.00 C ATOM 228 OG SER A 16 34.329 -13.974 -12.303 1.00 0.00 O ATOM 0 H SER A 16 32.530 -16.106 -13.078 1.00 0.00 H new ATOM 0 HA SER A 16 35.300 -17.116 -12.989 1.00 0.00 H new ATOM 0 HB2 SER A 16 36.140 -14.941 -12.333 1.00 0.00 H new ATOM 0 HB3 SER A 16 35.347 -14.791 -13.889 1.00 0.00 H new ATOM 0 HG SER A 16 34.400 -13.167 -12.854 1.00 0.00 H new ATOM 234 N SER A 17 35.276 -17.032 -10.378 1.00 0.00 N ATOM 235 CA SER A 17 35.072 -17.469 -8.980 1.00 0.00 C ATOM 236 C SER A 17 34.315 -16.440 -8.123 1.00 0.00 C ATOM 237 O SER A 17 33.389 -16.791 -7.390 1.00 0.00 O ATOM 238 CB SER A 17 36.426 -17.792 -8.339 1.00 0.00 C ATOM 239 OG SER A 17 37.306 -16.678 -8.442 1.00 0.00 O ATOM 0 H SER A 17 36.255 -17.023 -10.666 1.00 0.00 H new ATOM 0 HA SER A 17 34.446 -18.360 -9.016 1.00 0.00 H new ATOM 0 HB2 SER A 17 36.285 -18.055 -7.291 1.00 0.00 H new ATOM 0 HB3 SER A 17 36.869 -18.659 -8.829 1.00 0.00 H new ATOM 0 HG SER A 17 38.165 -16.900 -8.026 1.00 0.00 H new ATOM 245 N ILE A 18 34.660 -15.158 -8.278 1.00 0.00 N ATOM 246 CA ILE A 18 33.996 -14.009 -7.638 1.00 0.00 C ATOM 247 C ILE A 18 32.773 -13.532 -8.425 1.00 0.00 C ATOM 248 O ILE A 18 31.740 -13.267 -7.823 1.00 0.00 O ATOM 249 CB ILE A 18 34.977 -12.838 -7.381 1.00 0.00 C ATOM 250 CG1 ILE A 18 36.086 -12.763 -8.454 1.00 0.00 C ATOM 251 CG2 ILE A 18 35.561 -12.956 -5.966 1.00 0.00 C ATOM 252 CD1 ILE A 18 36.863 -11.455 -8.514 1.00 0.00 C ATOM 0 H ILE A 18 35.438 -14.877 -8.874 1.00 0.00 H new ATOM 0 HA ILE A 18 33.644 -14.365 -6.670 1.00 0.00 H new ATOM 0 HB ILE A 18 34.422 -11.902 -7.454 1.00 0.00 H new ATOM 0 HG12 ILE A 18 36.791 -13.575 -8.278 1.00 0.00 H new ATOM 0 HG13 ILE A 18 35.634 -12.940 -9.430 1.00 0.00 H new ATOM 0 HG21 ILE A 18 36.251 -12.131 -5.787 1.00 0.00 H new ATOM 0 HG22 ILE A 18 34.753 -12.919 -5.235 1.00 0.00 H new ATOM 0 HG23 ILE A 18 36.094 -13.902 -5.870 1.00 0.00 H new ATOM 0 HD11 ILE A 18 37.614 -11.514 -9.301 1.00 0.00 H new ATOM 0 HD12 ILE A 18 36.178 -10.634 -8.727 1.00 0.00 H new ATOM 0 HD13 ILE A 18 37.354 -11.279 -7.557 1.00 0.00 H new ATOM 264 N GLY A 19 32.822 -13.448 -9.756 1.00 0.00 N ATOM 265 CA GLY A 19 31.673 -12.972 -10.541 1.00 0.00 C ATOM 266 C GLY A 19 30.479 -13.935 -10.504 1.00 0.00 C ATOM 267 O GLY A 19 29.328 -13.498 -10.510 1.00 0.00 O ATOM 0 H GLY A 19 33.638 -13.701 -10.313 1.00 0.00 H new ATOM 0 HA2 GLY A 19 31.360 -11.999 -10.162 1.00 0.00 H new ATOM 0 HA3 GLY A 19 31.983 -12.826 -11.576 1.00 0.00 H new ATOM 271 N HIS A 20 30.738 -15.238 -10.371 1.00 0.00 N ATOM 272 CA HIS A 20 29.713 -16.262 -10.124 1.00 0.00 C ATOM 273 C HIS A 20 29.035 -16.056 -8.762 1.00 0.00 C ATOM 274 O HIS A 20 27.814 -16.165 -8.651 1.00 0.00 O ATOM 275 CB HIS A 20 30.339 -17.662 -10.202 1.00 0.00 C ATOM 276 CG HIS A 20 29.346 -18.776 -9.970 1.00 0.00 C ATOM 277 ND1 HIS A 20 28.440 -19.268 -10.916 1.00 0.00 N ATOM 278 CD2 HIS A 20 29.187 -19.469 -8.804 1.00 0.00 C ATOM 279 CE1 HIS A 20 27.756 -20.246 -10.296 1.00 0.00 C ATOM 280 NE2 HIS A 20 28.186 -20.389 -9.029 1.00 0.00 N ATOM 0 H HIS A 20 31.682 -15.620 -10.433 1.00 0.00 H new ATOM 0 HA HIS A 20 28.948 -16.169 -10.895 1.00 0.00 H new ATOM 0 HB2 HIS A 20 30.798 -17.793 -11.182 1.00 0.00 H new ATOM 0 HB3 HIS A 20 31.137 -17.737 -9.463 1.00 0.00 H new ATOM 0 HD2 HIS A 20 29.737 -19.324 -7.886 1.00 0.00 H new ATOM 0 HE1 HIS A 20 26.972 -20.834 -10.751 1.00 0.00 H new ATOM 0 HE2 HIS A 20 27.831 -21.063 -8.351 1.00 0.00 H new ATOM 288 N ASP A 21 29.806 -15.690 -7.731 1.00 0.00 N ATOM 289 CA ASP A 21 29.271 -15.408 -6.400 1.00 0.00 C ATOM 290 C ASP A 21 28.534 -14.063 -6.359 1.00 0.00 C ATOM 291 O ASP A 21 27.507 -13.968 -5.686 1.00 0.00 O ATOM 292 CB ASP A 21 30.391 -15.461 -5.348 1.00 0.00 C ATOM 293 CG ASP A 21 30.850 -16.884 -4.963 1.00 0.00 C ATOM 294 OD1 ASP A 21 30.176 -17.887 -5.306 1.00 0.00 O ATOM 295 OD2 ASP A 21 31.870 -17.000 -4.240 1.00 0.00 O ATOM 0 H ASP A 21 30.818 -15.582 -7.799 1.00 0.00 H new ATOM 0 HA ASP A 21 28.540 -16.181 -6.163 1.00 0.00 H new ATOM 0 HB2 ASP A 21 31.251 -14.906 -5.724 1.00 0.00 H new ATOM 0 HB3 ASP A 21 30.050 -14.948 -4.448 1.00 0.00 H new ATOM 300 N PHE A 22 28.989 -13.036 -7.100 1.00 0.00 N ATOM 301 CA PHE A 22 28.302 -11.740 -7.187 1.00 0.00 C ATOM 302 C PHE A 22 26.857 -11.912 -7.640 1.00 0.00 C ATOM 303 O PHE A 22 25.974 -11.311 -7.041 1.00 0.00 O ATOM 304 CB PHE A 22 29.040 -10.789 -8.142 1.00 0.00 C ATOM 305 CG PHE A 22 28.445 -9.389 -8.195 1.00 0.00 C ATOM 306 CD1 PHE A 22 27.330 -9.136 -9.015 1.00 0.00 C ATOM 307 CD2 PHE A 22 28.975 -8.342 -7.415 1.00 0.00 C ATOM 308 CE1 PHE A 22 26.750 -7.858 -9.065 1.00 0.00 C ATOM 309 CE2 PHE A 22 28.412 -7.053 -7.482 1.00 0.00 C ATOM 310 CZ PHE A 22 27.303 -6.813 -8.309 1.00 0.00 C ATOM 0 H PHE A 22 29.844 -13.084 -7.654 1.00 0.00 H new ATOM 0 HA PHE A 22 28.302 -11.303 -6.188 1.00 0.00 H new ATOM 0 HB2 PHE A 22 30.084 -10.719 -7.835 1.00 0.00 H new ATOM 0 HB3 PHE A 22 29.030 -11.216 -9.145 1.00 0.00 H new ATOM 0 HD1 PHE A 22 26.915 -9.934 -9.613 1.00 0.00 H new ATOM 0 HD2 PHE A 22 29.816 -8.529 -6.764 1.00 0.00 H new ATOM 0 HE1 PHE A 22 25.882 -7.680 -9.683 1.00 0.00 H new ATOM 0 HE2 PHE A 22 28.833 -6.249 -6.897 1.00 0.00 H new ATOM 0 HZ PHE A 22 26.875 -5.823 -8.363 1.00 0.00 H new ATOM 320 N TYR A 23 26.602 -12.760 -8.641 1.00 0.00 N ATOM 321 CA TYR A 23 25.240 -13.063 -9.092 1.00 0.00 C ATOM 322 C TYR A 23 24.333 -13.504 -7.930 1.00 0.00 C ATOM 323 O TYR A 23 23.294 -12.888 -7.684 1.00 0.00 O ATOM 324 CB TYR A 23 25.271 -14.137 -10.191 1.00 0.00 C ATOM 325 CG TYR A 23 23.879 -14.568 -10.603 1.00 0.00 C ATOM 326 CD1 TYR A 23 23.323 -15.754 -10.086 1.00 0.00 C ATOM 327 CD2 TYR A 23 23.110 -13.733 -11.429 1.00 0.00 C ATOM 328 CE1 TYR A 23 21.989 -16.095 -10.379 1.00 0.00 C ATOM 329 CE2 TYR A 23 21.771 -14.059 -11.708 1.00 0.00 C ATOM 330 CZ TYR A 23 21.206 -15.242 -11.187 1.00 0.00 C ATOM 331 OH TYR A 23 19.912 -15.551 -11.474 1.00 0.00 O ATOM 0 H TYR A 23 27.329 -13.253 -9.159 1.00 0.00 H new ATOM 0 HA TYR A 23 24.817 -12.146 -9.502 1.00 0.00 H new ATOM 0 HB2 TYR A 23 25.803 -13.751 -11.060 1.00 0.00 H new ATOM 0 HB3 TYR A 23 25.828 -15.004 -9.835 1.00 0.00 H new ATOM 0 HD1 TYR A 23 23.921 -16.403 -9.464 1.00 0.00 H new ATOM 0 HD2 TYR A 23 23.547 -12.840 -11.850 1.00 0.00 H new ATOM 0 HE1 TYR A 23 21.565 -17.008 -9.986 1.00 0.00 H new ATOM 0 HE2 TYR A 23 21.174 -13.402 -12.323 1.00 0.00 H new ATOM 0 HH TYR A 23 19.614 -15.026 -12.246 1.00 0.00 H new ATOM 341 N ARG A 24 24.763 -14.532 -7.181 1.00 0.00 N ATOM 342 CA ARG A 24 23.988 -15.132 -6.082 1.00 0.00 C ATOM 343 C ARG A 24 23.830 -14.166 -4.907 1.00 0.00 C ATOM 344 O ARG A 24 22.732 -13.986 -4.385 1.00 0.00 O ATOM 345 CB ARG A 24 24.643 -16.445 -5.615 1.00 0.00 C ATOM 346 CG ARG A 24 24.850 -17.450 -6.762 1.00 0.00 C ATOM 347 CD ARG A 24 25.221 -18.850 -6.255 1.00 0.00 C ATOM 348 NE ARG A 24 24.080 -19.512 -5.583 1.00 0.00 N ATOM 349 CZ ARG A 24 24.116 -20.624 -4.867 1.00 0.00 C ATOM 350 NH1 ARG A 24 25.222 -21.283 -4.660 1.00 0.00 N ATOM 351 NH2 ARG A 24 23.025 -21.101 -4.340 1.00 0.00 N ATOM 0 H ARG A 24 25.670 -14.976 -7.323 1.00 0.00 H new ATOM 0 HA ARG A 24 22.991 -15.351 -6.464 1.00 0.00 H new ATOM 0 HB2 ARG A 24 25.606 -16.222 -5.156 1.00 0.00 H new ATOM 0 HB3 ARG A 24 24.021 -16.902 -4.845 1.00 0.00 H new ATOM 0 HG2 ARG A 24 23.938 -17.512 -7.356 1.00 0.00 H new ATOM 0 HG3 ARG A 24 25.637 -17.086 -7.423 1.00 0.00 H new ATOM 0 HD2 ARG A 24 25.555 -19.463 -7.092 1.00 0.00 H new ATOM 0 HD3 ARG A 24 26.058 -18.775 -5.561 1.00 0.00 H new ATOM 0 HE ARG A 24 23.169 -19.063 -5.683 1.00 0.00 H new ATOM 0 HH11 ARG A 24 26.099 -20.945 -5.056 1.00 0.00 H new ATOM 0 HH12 ARG A 24 25.210 -22.137 -4.102 1.00 0.00 H new ATOM 0 HH21 ARG A 24 22.138 -20.617 -4.478 1.00 0.00 H new ATOM 0 HH22 ARG A 24 23.058 -21.959 -3.789 1.00 0.00 H new ATOM 365 N ALA A 25 24.921 -13.504 -4.523 1.00 0.00 N ATOM 366 CA ALA A 25 24.932 -12.534 -3.434 1.00 0.00 C ATOM 367 C ALA A 25 24.081 -11.297 -3.756 1.00 0.00 C ATOM 368 O ALA A 25 23.318 -10.850 -2.906 1.00 0.00 O ATOM 369 CB ALA A 25 26.387 -12.159 -3.137 1.00 0.00 C ATOM 0 H ALA A 25 25.831 -13.629 -4.966 1.00 0.00 H new ATOM 0 HA ALA A 25 24.481 -12.982 -2.548 1.00 0.00 H new ATOM 0 HB1 ALA A 25 26.417 -11.433 -2.324 1.00 0.00 H new ATOM 0 HB2 ALA A 25 26.941 -13.052 -2.847 1.00 0.00 H new ATOM 0 HB3 ALA A 25 26.840 -11.725 -4.028 1.00 0.00 H new ATOM 375 N PHE A 26 24.155 -10.764 -4.978 1.00 0.00 N ATOM 376 CA PHE A 26 23.325 -9.641 -5.406 1.00 0.00 C ATOM 377 C PHE A 26 21.841 -10.025 -5.359 1.00 0.00 C ATOM 378 O PHE A 26 21.056 -9.339 -4.709 1.00 0.00 O ATOM 379 CB PHE A 26 23.774 -9.174 -6.803 1.00 0.00 C ATOM 380 CG PHE A 26 22.972 -8.028 -7.407 1.00 0.00 C ATOM 381 CD1 PHE A 26 23.540 -6.742 -7.522 1.00 0.00 C ATOM 382 CD2 PHE A 26 21.667 -8.249 -7.892 1.00 0.00 C ATOM 383 CE1 PHE A 26 22.806 -5.692 -8.111 1.00 0.00 C ATOM 384 CE2 PHE A 26 20.929 -7.198 -8.458 1.00 0.00 C ATOM 385 CZ PHE A 26 21.498 -5.921 -8.573 1.00 0.00 C ATOM 0 H PHE A 26 24.794 -11.101 -5.698 1.00 0.00 H new ATOM 0 HA PHE A 26 23.451 -8.802 -4.722 1.00 0.00 H new ATOM 0 HB2 PHE A 26 24.819 -8.871 -6.746 1.00 0.00 H new ATOM 0 HB3 PHE A 26 23.726 -10.025 -7.483 1.00 0.00 H new ATOM 0 HD1 PHE A 26 24.540 -6.561 -7.158 1.00 0.00 H new ATOM 0 HD2 PHE A 26 21.232 -9.235 -7.827 1.00 0.00 H new ATOM 0 HE1 PHE A 26 23.249 -4.712 -8.207 1.00 0.00 H new ATOM 0 HE2 PHE A 26 19.921 -7.373 -8.806 1.00 0.00 H new ATOM 0 HZ PHE A 26 20.932 -5.115 -9.016 1.00 0.00 H new ATOM 395 N SER A 27 21.451 -11.138 -5.989 1.00 0.00 N ATOM 396 CA SER A 27 20.042 -11.555 -6.068 1.00 0.00 C ATOM 397 C SER A 27 19.443 -11.919 -4.699 1.00 0.00 C ATOM 398 O SER A 27 18.248 -11.707 -4.480 1.00 0.00 O ATOM 399 CB SER A 27 19.859 -12.707 -7.062 1.00 0.00 C ATOM 400 OG SER A 27 20.446 -13.908 -6.592 1.00 0.00 O ATOM 0 H SER A 27 22.097 -11.774 -6.457 1.00 0.00 H new ATOM 0 HA SER A 27 19.490 -10.688 -6.431 1.00 0.00 H new ATOM 0 HB2 SER A 27 18.796 -12.868 -7.240 1.00 0.00 H new ATOM 0 HB3 SER A 27 20.305 -12.435 -8.019 1.00 0.00 H new ATOM 0 HG SER A 27 21.126 -13.698 -5.918 1.00 0.00 H new ATOM 406 N ASP A 28 20.263 -12.381 -3.749 1.00 0.00 N ATOM 407 CA ASP A 28 19.864 -12.650 -2.364 1.00 0.00 C ATOM 408 C ASP A 28 19.427 -11.386 -1.594 1.00 0.00 C ATOM 409 O ASP A 28 18.533 -11.483 -0.748 1.00 0.00 O ATOM 410 CB ASP A 28 21.021 -13.338 -1.613 1.00 0.00 C ATOM 411 CG ASP A 28 21.081 -14.872 -1.764 1.00 0.00 C ATOM 412 OD1 ASP A 28 20.050 -15.521 -2.072 1.00 0.00 O ATOM 413 OD2 ASP A 28 22.156 -15.455 -1.478 1.00 0.00 O ATOM 0 H ASP A 28 21.247 -12.583 -3.927 1.00 0.00 H new ATOM 0 HA ASP A 28 18.994 -13.304 -2.413 1.00 0.00 H new ATOM 0 HB2 ASP A 28 21.963 -12.917 -1.965 1.00 0.00 H new ATOM 0 HB3 ASP A 28 20.940 -13.096 -0.553 1.00 0.00 H new ATOM 418 N LYS A 29 20.021 -10.211 -1.881 1.00 0.00 N ATOM 419 CA LYS A 29 19.650 -8.918 -1.253 1.00 0.00 C ATOM 420 C LYS A 29 18.971 -7.901 -2.193 1.00 0.00 C ATOM 421 O LYS A 29 18.611 -6.806 -1.754 1.00 0.00 O ATOM 422 CB LYS A 29 20.790 -8.313 -0.395 1.00 0.00 C ATOM 423 CG LYS A 29 22.246 -8.714 -0.706 1.00 0.00 C ATOM 424 CD LYS A 29 22.726 -10.033 -0.066 1.00 0.00 C ATOM 425 CE LYS A 29 22.714 -9.986 1.473 1.00 0.00 C ATOM 426 NZ LYS A 29 23.252 -11.241 2.078 1.00 0.00 N ATOM 0 H LYS A 29 20.778 -10.127 -2.560 1.00 0.00 H new ATOM 0 HA LYS A 29 18.855 -9.179 -0.555 1.00 0.00 H new ATOM 0 HB2 LYS A 29 20.722 -7.228 -0.474 1.00 0.00 H new ATOM 0 HB3 LYS A 29 20.592 -8.570 0.646 1.00 0.00 H new ATOM 0 HG2 LYS A 29 22.359 -8.794 -1.787 1.00 0.00 H new ATOM 0 HG3 LYS A 29 22.904 -7.910 -0.375 1.00 0.00 H new ATOM 0 HD2 LYS A 29 22.089 -10.850 -0.405 1.00 0.00 H new ATOM 0 HD3 LYS A 29 23.736 -10.253 -0.411 1.00 0.00 H new ATOM 0 HE2 LYS A 29 23.306 -9.137 1.814 1.00 0.00 H new ATOM 0 HE3 LYS A 29 21.694 -9.824 1.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 23.225 -11.166 3.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 22.672 -12.049 1.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 24.234 -11.383 1.766 1.00 0.00 H new ATOM 440 N TRP A 30 18.745 -8.251 -3.459 1.00 0.00 N ATOM 441 CA TRP A 30 18.063 -7.398 -4.440 1.00 0.00 C ATOM 442 C TRP A 30 16.603 -7.091 -4.056 1.00 0.00 C ATOM 443 O TRP A 30 15.833 -7.985 -3.694 1.00 0.00 O ATOM 444 CB TRP A 30 18.141 -8.029 -5.834 1.00 0.00 C ATOM 445 CG TRP A 30 17.490 -7.210 -6.904 1.00 0.00 C ATOM 446 CD1 TRP A 30 16.436 -7.590 -7.660 1.00 0.00 C ATOM 447 CD2 TRP A 30 17.796 -5.840 -7.306 1.00 0.00 C ATOM 448 NE1 TRP A 30 16.074 -6.556 -8.501 1.00 0.00 N ATOM 449 CE2 TRP A 30 16.873 -5.448 -8.319 1.00 0.00 C ATOM 450 CE3 TRP A 30 18.755 -4.885 -6.905 1.00 0.00 C ATOM 451 CZ2 TRP A 30 16.904 -4.178 -8.911 1.00 0.00 C ATOM 452 CZ3 TRP A 30 18.779 -3.599 -7.474 1.00 0.00 C ATOM 453 CH2 TRP A 30 17.860 -3.242 -8.476 1.00 0.00 C ATOM 0 H TRP A 30 19.035 -9.151 -3.841 1.00 0.00 H new ATOM 0 HA TRP A 30 18.584 -6.441 -4.449 1.00 0.00 H new ATOM 0 HB2 TRP A 30 19.188 -8.184 -6.094 1.00 0.00 H new ATOM 0 HB3 TRP A 30 17.671 -9.012 -5.805 1.00 0.00 H new ATOM 0 HD1 TRP A 30 15.951 -8.554 -7.614 1.00 0.00 H new ATOM 0 HE1 TRP A 30 15.309 -6.606 -9.174 1.00 0.00 H new ATOM 0 HE3 TRP A 30 19.481 -5.146 -6.150 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 16.203 -3.921 -9.691 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 19.510 -2.879 -7.138 1.00 0.00 H new ATOM 0 HH2 TRP A 30 17.888 -2.253 -8.910 1.00 0.00 H new ATOM 464 N GLU A 31 16.224 -5.813 -4.156 1.00 0.00 N ATOM 465 CA GLU A 31 14.880 -5.280 -3.903 1.00 0.00 C ATOM 466 C GLU A 31 14.723 -3.944 -4.655 1.00 0.00 C ATOM 467 O GLU A 31 15.626 -3.101 -4.604 1.00 0.00 O ATOM 468 CB GLU A 31 14.688 -5.104 -2.383 1.00 0.00 C ATOM 469 CG GLU A 31 13.286 -4.630 -1.971 1.00 0.00 C ATOM 470 CD GLU A 31 13.165 -3.093 -1.890 1.00 0.00 C ATOM 471 OE1 GLU A 31 13.816 -2.473 -1.012 1.00 0.00 O ATOM 472 OE2 GLU A 31 12.382 -2.499 -2.669 1.00 0.00 O ATOM 0 H GLU A 31 16.881 -5.083 -4.430 1.00 0.00 H new ATOM 0 HA GLU A 31 14.114 -5.966 -4.264 1.00 0.00 H new ATOM 0 HB2 GLU A 31 14.896 -6.054 -1.890 1.00 0.00 H new ATOM 0 HB3 GLU A 31 15.423 -4.387 -2.017 1.00 0.00 H new ATOM 0 HG2 GLU A 31 12.556 -5.009 -2.687 1.00 0.00 H new ATOM 0 HG3 GLU A 31 13.034 -5.060 -1.001 1.00 0.00 H new ATOM 479 N SER A 32 13.608 -3.751 -5.373 1.00 0.00 N ATOM 480 CA SER A 32 13.380 -2.555 -6.204 1.00 0.00 C ATOM 481 C SER A 32 11.904 -2.148 -6.352 1.00 0.00 C ATOM 482 O SER A 32 10.996 -2.984 -6.300 1.00 0.00 O ATOM 483 CB SER A 32 14.014 -2.746 -7.586 1.00 0.00 C ATOM 484 OG SER A 32 13.492 -3.872 -8.280 1.00 0.00 O ATOM 0 H SER A 32 12.837 -4.418 -5.396 1.00 0.00 H new ATOM 0 HA SER A 32 13.859 -1.733 -5.672 1.00 0.00 H new ATOM 0 HB2 SER A 32 13.850 -1.849 -8.183 1.00 0.00 H new ATOM 0 HB3 SER A 32 15.092 -2.862 -7.473 1.00 0.00 H new ATOM 0 HG SER A 32 14.229 -4.382 -8.678 1.00 0.00 H new ATOM 490 N ASP A 33 11.669 -0.844 -6.565 1.00 0.00 N ATOM 491 CA ASP A 33 10.328 -0.264 -6.768 1.00 0.00 C ATOM 492 C ASP A 33 9.883 -0.226 -8.248 1.00 0.00 C ATOM 493 O ASP A 33 8.685 -0.295 -8.539 1.00 0.00 O ATOM 494 CB ASP A 33 10.305 1.145 -6.159 1.00 0.00 C ATOM 495 CG ASP A 33 8.895 1.762 -6.205 1.00 0.00 C ATOM 496 OD1 ASP A 33 8.013 1.312 -5.434 1.00 0.00 O ATOM 497 OD2 ASP A 33 8.673 2.711 -6.994 1.00 0.00 O ATOM 0 H ASP A 33 12.416 -0.150 -6.602 1.00 0.00 H new ATOM 0 HA ASP A 33 9.610 -0.914 -6.267 1.00 0.00 H new ATOM 0 HB2 ASP A 33 10.649 1.101 -5.126 1.00 0.00 H new ATOM 0 HB3 ASP A 33 11.001 1.787 -6.700 1.00 0.00 H new ATOM 502 N TYR A 34 10.839 -0.144 -9.185 1.00 0.00 N ATOM 503 CA TYR A 34 10.593 -0.214 -10.634 1.00 0.00 C ATOM 504 C TYR A 34 10.355 -1.670 -11.108 1.00 0.00 C ATOM 505 O TYR A 34 10.228 -2.601 -10.309 1.00 0.00 O ATOM 506 CB TYR A 34 11.728 0.510 -11.395 1.00 0.00 C ATOM 507 CG TYR A 34 12.984 -0.311 -11.637 1.00 0.00 C ATOM 508 CD1 TYR A 34 13.260 -0.834 -12.917 1.00 0.00 C ATOM 509 CD2 TYR A 34 13.866 -0.579 -10.574 1.00 0.00 C ATOM 510 CE1 TYR A 34 14.365 -1.682 -13.114 1.00 0.00 C ATOM 511 CE2 TYR A 34 14.971 -1.429 -10.767 1.00 0.00 C ATOM 512 CZ TYR A 34 15.218 -1.993 -12.033 1.00 0.00 C ATOM 513 OH TYR A 34 16.277 -2.824 -12.215 1.00 0.00 O ATOM 0 H TYR A 34 11.825 -0.025 -8.953 1.00 0.00 H new ATOM 0 HA TYR A 34 9.666 0.311 -10.866 1.00 0.00 H new ATOM 0 HB2 TYR A 34 11.341 0.842 -12.359 1.00 0.00 H new ATOM 0 HB3 TYR A 34 12.002 1.405 -10.836 1.00 0.00 H new ATOM 0 HD1 TYR A 34 12.620 -0.582 -13.750 1.00 0.00 H new ATOM 0 HD2 TYR A 34 13.694 -0.131 -9.606 1.00 0.00 H new ATOM 0 HE1 TYR A 34 14.561 -2.095 -14.092 1.00 0.00 H new ATOM 0 HE2 TYR A 34 15.631 -1.649 -9.941 1.00 0.00 H new ATOM 0 HH TYR A 34 16.759 -2.930 -11.368 1.00 0.00 H new ATOM 523 N THR A 35 10.296 -1.883 -12.428 1.00 0.00 N ATOM 524 CA THR A 35 9.944 -3.168 -13.067 1.00 0.00 C ATOM 525 C THR A 35 11.032 -4.252 -12.936 1.00 0.00 C ATOM 526 O THR A 35 10.821 -5.383 -13.355 1.00 0.00 O ATOM 527 CB THR A 35 9.568 -2.946 -14.550 1.00 0.00 C ATOM 528 OG1 THR A 35 9.048 -1.642 -14.759 1.00 0.00 O ATOM 529 CG2 THR A 35 8.493 -3.922 -15.035 1.00 0.00 C ATOM 0 H THR A 35 10.497 -1.148 -13.106 1.00 0.00 H new ATOM 0 HA THR A 35 9.080 -3.550 -12.523 1.00 0.00 H new ATOM 0 HB THR A 35 10.493 -3.100 -15.105 1.00 0.00 H new ATOM 0 HG1 THR A 35 8.820 -1.528 -15.705 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.266 -3.722 -16.082 1.00 0.00 H new ATOM 0 HG22 THR A 35 8.856 -4.944 -14.931 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.590 -3.795 -14.438 1.00 0.00 H new ATOM 537 N GLY A 36 12.205 -3.949 -12.363 1.00 0.00 N ATOM 538 CA GLY A 36 13.212 -4.954 -11.976 1.00 0.00 C ATOM 539 C GLY A 36 13.825 -5.762 -13.121 1.00 0.00 C ATOM 540 O GLY A 36 14.318 -6.869 -12.917 1.00 0.00 O ATOM 0 H GLY A 36 12.487 -2.992 -12.152 1.00 0.00 H new ATOM 0 HA2 GLY A 36 14.017 -4.447 -11.444 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.752 -5.648 -11.273 1.00 0.00 H new ATOM 544 N ASN A 37 13.797 -5.233 -14.346 1.00 0.00 N ATOM 545 CA ASN A 37 14.268 -5.937 -15.544 1.00 0.00 C ATOM 546 C ASN A 37 15.784 -5.785 -15.747 1.00 0.00 C ATOM 547 O ASN A 37 16.240 -5.147 -16.692 1.00 0.00 O ATOM 548 CB ASN A 37 13.461 -5.501 -16.775 1.00 0.00 C ATOM 549 CG ASN A 37 11.963 -5.734 -16.680 1.00 0.00 C ATOM 550 OD1 ASN A 37 11.168 -4.820 -16.817 1.00 0.00 O ATOM 551 ND2 ASN A 37 11.526 -6.958 -16.470 1.00 0.00 N ATOM 0 H ASN A 37 13.444 -4.295 -14.538 1.00 0.00 H new ATOM 0 HA ASN A 37 14.095 -7.003 -15.399 1.00 0.00 H new ATOM 0 HB2 ASN A 37 13.637 -4.439 -16.948 1.00 0.00 H new ATOM 0 HB3 ASN A 37 13.841 -6.034 -17.647 1.00 0.00 H new ATOM 0 HD21 ASN A 37 10.524 -7.140 -16.422 1.00 0.00 H new ATOM 0 HD22 ASN A 37 12.190 -7.724 -16.355 1.00 0.00 H new ATOM 558 N LEU A 38 16.567 -6.371 -14.845 1.00 0.00 N ATOM 559 CA LEU A 38 18.037 -6.305 -14.839 1.00 0.00 C ATOM 560 C LEU A 38 18.731 -7.668 -14.916 1.00 0.00 C ATOM 561 O LEU A 38 18.205 -8.661 -14.425 1.00 0.00 O ATOM 562 CB LEU A 38 18.551 -5.486 -13.641 1.00 0.00 C ATOM 563 CG LEU A 38 18.651 -6.215 -12.281 1.00 0.00 C ATOM 564 CD1 LEU A 38 19.182 -5.252 -11.234 1.00 0.00 C ATOM 565 CD2 LEU A 38 17.323 -6.735 -11.741 1.00 0.00 C ATOM 0 H LEU A 38 16.192 -6.922 -14.073 1.00 0.00 H new ATOM 0 HA LEU A 38 18.307 -5.791 -15.762 1.00 0.00 H new ATOM 0 HB2 LEU A 38 19.540 -5.102 -13.893 1.00 0.00 H new ATOM 0 HB3 LEU A 38 17.897 -4.623 -13.515 1.00 0.00 H new ATOM 0 HG LEU A 38 19.304 -7.068 -12.464 1.00 0.00 H new ATOM 0 HD11 LEU A 38 19.254 -5.762 -10.274 1.00 0.00 H new ATOM 0 HD12 LEU A 38 20.169 -4.899 -11.532 1.00 0.00 H new ATOM 0 HD13 LEU A 38 18.505 -4.403 -11.144 1.00 0.00 H new ATOM 0 HD21 LEU A 38 17.488 -7.232 -10.785 1.00 0.00 H new ATOM 0 HD22 LEU A 38 16.635 -5.901 -11.603 1.00 0.00 H new ATOM 0 HD23 LEU A 38 16.895 -7.445 -12.449 1.00 0.00 H new ATOM 577 N THR A 39 19.944 -7.693 -15.470 1.00 0.00 N ATOM 578 CA THR A 39 20.815 -8.875 -15.526 1.00 0.00 C ATOM 579 C THR A 39 22.274 -8.525 -15.217 1.00 0.00 C ATOM 580 O THR A 39 22.675 -7.361 -15.284 1.00 0.00 O ATOM 581 CB THR A 39 20.660 -9.600 -16.864 1.00 0.00 C ATOM 582 OG1 THR A 39 21.241 -10.874 -16.716 1.00 0.00 O ATOM 583 CG2 THR A 39 21.315 -8.898 -18.048 1.00 0.00 C ATOM 0 H THR A 39 20.362 -6.871 -15.905 1.00 0.00 H new ATOM 0 HA THR A 39 20.497 -9.564 -14.744 1.00 0.00 H new ATOM 0 HB THR A 39 19.595 -9.633 -17.093 1.00 0.00 H new ATOM 0 HG1 THR A 39 21.450 -11.243 -17.600 1.00 0.00 H new ATOM 0 HG21 THR A 39 21.154 -9.484 -18.953 1.00 0.00 H new ATOM 0 HG22 THR A 39 20.875 -7.909 -18.173 1.00 0.00 H new ATOM 0 HG23 THR A 39 22.385 -8.799 -17.866 1.00 0.00 H new ATOM 591 N ILE A 40 23.068 -9.529 -14.839 1.00 0.00 N ATOM 592 CA ILE A 40 24.438 -9.383 -14.323 1.00 0.00 C ATOM 593 C ILE A 40 25.398 -10.089 -15.274 1.00 0.00 C ATOM 594 O ILE A 40 25.235 -11.268 -15.584 1.00 0.00 O ATOM 595 CB ILE A 40 24.543 -9.962 -12.898 1.00 0.00 C ATOM 596 CG1 ILE A 40 23.612 -9.204 -11.925 1.00 0.00 C ATOM 597 CG2 ILE A 40 25.989 -9.939 -12.358 1.00 0.00 C ATOM 598 CD1 ILE A 40 23.384 -9.960 -10.615 1.00 0.00 C ATOM 0 H ILE A 40 22.767 -10.503 -14.884 1.00 0.00 H new ATOM 0 HA ILE A 40 24.701 -8.327 -14.266 1.00 0.00 H new ATOM 0 HB ILE A 40 24.228 -11.004 -12.963 1.00 0.00 H new ATOM 0 HG12 ILE A 40 24.041 -8.227 -11.705 1.00 0.00 H new ATOM 0 HG13 ILE A 40 22.652 -9.029 -12.410 1.00 0.00 H new ATOM 0 HG21 ILE A 40 26.008 -10.357 -11.352 1.00 0.00 H new ATOM 0 HG22 ILE A 40 26.630 -10.532 -13.010 1.00 0.00 H new ATOM 0 HG23 ILE A 40 26.351 -8.911 -12.331 1.00 0.00 H new ATOM 0 HD11 ILE A 40 22.723 -9.380 -9.971 1.00 0.00 H new ATOM 0 HD12 ILE A 40 22.928 -10.927 -10.828 1.00 0.00 H new ATOM 0 HD13 ILE A 40 24.339 -10.112 -10.112 1.00 0.00 H new ATOM 610 N ASN A 41 26.432 -9.369 -15.697 1.00 0.00 N ATOM 611 CA ASN A 41 27.424 -9.827 -16.659 1.00 0.00 C ATOM 612 C ASN A 41 28.814 -9.701 -16.022 1.00 0.00 C ATOM 613 O ASN A 41 29.065 -8.717 -15.324 1.00 0.00 O ATOM 614 CB ASN A 41 27.292 -8.995 -17.954 1.00 0.00 C ATOM 615 CG ASN A 41 25.854 -8.785 -18.431 1.00 0.00 C ATOM 616 OD1 ASN A 41 25.323 -9.536 -19.235 1.00 0.00 O ATOM 617 ND2 ASN A 41 25.188 -7.752 -17.951 1.00 0.00 N ATOM 0 H ASN A 41 26.607 -8.420 -15.368 1.00 0.00 H new ATOM 0 HA ASN A 41 27.268 -10.873 -16.925 1.00 0.00 H new ATOM 0 HB2 ASN A 41 27.754 -8.021 -17.793 1.00 0.00 H new ATOM 0 HB3 ASN A 41 27.856 -9.488 -18.746 1.00 0.00 H new ATOM 0 HD21 ASN A 41 24.229 -7.580 -18.251 1.00 0.00 H new ATOM 0 HD22 ASN A 41 25.633 -7.126 -17.280 1.00 0.00 H new ATOM 624 N GLU A 42 29.727 -10.647 -16.255 1.00 0.00 N ATOM 625 CA GLU A 42 31.145 -10.466 -15.891 1.00 0.00 C ATOM 626 C GLU A 42 32.123 -10.708 -17.047 1.00 0.00 C ATOM 627 O GLU A 42 31.847 -11.491 -17.960 1.00 0.00 O ATOM 628 CB GLU A 42 31.524 -11.250 -14.623 1.00 0.00 C ATOM 629 CG GLU A 42 31.834 -12.735 -14.837 1.00 0.00 C ATOM 630 CD GLU A 42 33.298 -13.090 -15.081 1.00 0.00 C ATOM 631 OE1 GLU A 42 33.521 -14.082 -15.801 1.00 0.00 O ATOM 632 OE2 GLU A 42 34.189 -12.459 -14.474 1.00 0.00 O ATOM 0 H GLU A 42 29.517 -11.544 -16.692 1.00 0.00 H new ATOM 0 HA GLU A 42 31.248 -9.407 -15.655 1.00 0.00 H new ATOM 0 HB2 GLU A 42 32.395 -10.776 -14.170 1.00 0.00 H new ATOM 0 HB3 GLU A 42 30.707 -11.166 -13.907 1.00 0.00 H new ATOM 0 HG2 GLU A 42 31.489 -13.286 -13.962 1.00 0.00 H new ATOM 0 HG3 GLU A 42 31.250 -13.088 -15.687 1.00 0.00 H new ATOM 639 N ARG A 43 33.290 -10.054 -16.977 1.00 0.00 N ATOM 640 CA ARG A 43 34.452 -10.308 -17.831 1.00 0.00 C ATOM 641 C ARG A 43 35.608 -10.809 -16.954 1.00 0.00 C ATOM 642 O ARG A 43 36.047 -10.058 -16.078 1.00 0.00 O ATOM 643 CB ARG A 43 34.809 -9.033 -18.620 1.00 0.00 C ATOM 644 CG ARG A 43 35.933 -9.234 -19.653 1.00 0.00 C ATOM 645 CD ARG A 43 35.471 -10.014 -20.890 1.00 0.00 C ATOM 646 NE ARG A 43 36.598 -10.282 -21.805 1.00 0.00 N ATOM 647 CZ ARG A 43 36.547 -10.924 -22.961 1.00 0.00 C ATOM 648 NH1 ARG A 43 35.433 -11.400 -23.443 1.00 0.00 N ATOM 649 NH2 ARG A 43 37.629 -11.100 -23.664 1.00 0.00 N ATOM 0 H ARG A 43 33.454 -9.309 -16.300 1.00 0.00 H new ATOM 0 HA ARG A 43 34.233 -11.081 -18.568 1.00 0.00 H new ATOM 0 HB2 ARG A 43 33.917 -8.673 -19.133 1.00 0.00 H new ATOM 0 HB3 ARG A 43 35.109 -8.255 -17.918 1.00 0.00 H new ATOM 0 HG2 ARG A 43 36.313 -8.261 -19.964 1.00 0.00 H new ATOM 0 HG3 ARG A 43 36.761 -9.764 -19.183 1.00 0.00 H new ATOM 0 HD2 ARG A 43 35.019 -10.956 -20.581 1.00 0.00 H new ATOM 0 HD3 ARG A 43 34.701 -9.447 -21.414 1.00 0.00 H new ATOM 0 HE ARG A 43 37.513 -9.936 -21.516 1.00 0.00 H new ATOM 0 HH11 ARG A 43 34.562 -11.283 -22.925 1.00 0.00 H new ATOM 0 HH12 ARG A 43 35.432 -11.890 -24.338 1.00 0.00 H new ATOM 0 HH21 ARG A 43 38.522 -10.742 -23.324 1.00 0.00 H new ATOM 0 HH22 ARG A 43 37.584 -11.596 -24.554 1.00 0.00 H new ATOM 663 N PRO A 44 36.110 -12.033 -17.188 1.00 0.00 N ATOM 664 CA PRO A 44 37.204 -12.605 -16.419 1.00 0.00 C ATOM 665 C PRO A 44 38.533 -11.989 -16.884 1.00 0.00 C ATOM 666 O PRO A 44 38.887 -12.056 -18.066 1.00 0.00 O ATOM 667 CB PRO A 44 37.094 -14.113 -16.661 1.00 0.00 C ATOM 668 CG PRO A 44 36.531 -14.213 -18.077 1.00 0.00 C ATOM 669 CD PRO A 44 35.624 -12.992 -18.171 1.00 0.00 C ATOM 0 HA PRO A 44 37.160 -12.399 -15.350 1.00 0.00 H new ATOM 0 HB2 PRO A 44 38.064 -14.603 -16.580 1.00 0.00 H new ATOM 0 HB3 PRO A 44 36.435 -14.588 -15.934 1.00 0.00 H new ATOM 0 HG2 PRO A 44 37.321 -14.188 -18.828 1.00 0.00 H new ATOM 0 HG3 PRO A 44 35.977 -15.140 -18.227 1.00 0.00 H new ATOM 0 HD2 PRO A 44 35.651 -12.566 -19.174 1.00 0.00 H new ATOM 0 HD3 PRO A 44 34.588 -13.263 -17.968 1.00 0.00 H new ATOM 677 N SER A 45 39.269 -11.378 -15.953 1.00 0.00 N ATOM 678 CA SER A 45 40.437 -10.534 -16.237 1.00 0.00 C ATOM 679 C SER A 45 41.572 -10.866 -15.270 1.00 0.00 C ATOM 680 O SER A 45 41.722 -10.245 -14.214 1.00 0.00 O ATOM 681 CB SER A 45 40.042 -9.049 -16.168 1.00 0.00 C ATOM 682 OG SER A 45 39.104 -8.734 -17.188 1.00 0.00 O ATOM 0 H SER A 45 39.066 -11.457 -14.956 1.00 0.00 H new ATOM 0 HA SER A 45 40.795 -10.735 -17.247 1.00 0.00 H new ATOM 0 HB2 SER A 45 39.614 -8.826 -15.191 1.00 0.00 H new ATOM 0 HB3 SER A 45 40.929 -8.425 -16.277 1.00 0.00 H new ATOM 0 HG SER A 45 38.862 -7.786 -17.129 1.00 0.00 H new ATOM 688 N ALA A 46 42.400 -11.847 -15.643 1.00 0.00 N ATOM 689 CA ALA A 46 43.420 -12.468 -14.786 1.00 0.00 C ATOM 690 C ALA A 46 44.534 -11.522 -14.288 1.00 0.00 C ATOM 691 O ALA A 46 45.294 -11.885 -13.385 1.00 0.00 O ATOM 692 CB ALA A 46 43.995 -13.673 -15.542 1.00 0.00 C ATOM 0 H ALA A 46 42.379 -12.246 -16.582 1.00 0.00 H new ATOM 0 HA ALA A 46 42.927 -12.774 -13.863 1.00 0.00 H new ATOM 0 HB1 ALA A 46 44.757 -14.156 -14.930 1.00 0.00 H new ATOM 0 HB2 ALA A 46 43.196 -14.383 -15.756 1.00 0.00 H new ATOM 0 HB3 ALA A 46 44.441 -13.336 -16.478 1.00 0.00 H new ATOM 698 N ARG A 47 44.584 -10.285 -14.804 1.00 0.00 N ATOM 699 CA ARG A 47 45.348 -9.163 -14.224 1.00 0.00 C ATOM 700 C ARG A 47 45.044 -8.930 -12.732 1.00 0.00 C ATOM 701 O ARG A 47 45.947 -8.524 -12.000 1.00 0.00 O ATOM 702 CB ARG A 47 45.118 -7.884 -15.060 1.00 0.00 C ATOM 703 CG ARG A 47 43.676 -7.344 -14.986 1.00 0.00 C ATOM 704 CD ARG A 47 43.411 -6.183 -15.954 1.00 0.00 C ATOM 705 NE ARG A 47 44.123 -4.948 -15.559 1.00 0.00 N ATOM 706 CZ ARG A 47 44.042 -3.768 -16.153 1.00 0.00 C ATOM 707 NH1 ARG A 47 43.303 -3.571 -17.209 1.00 0.00 N ATOM 708 NH2 ARG A 47 44.711 -2.750 -15.691 1.00 0.00 N ATOM 0 H ARG A 47 44.084 -10.028 -15.655 1.00 0.00 H new ATOM 0 HA ARG A 47 46.404 -9.431 -14.266 1.00 0.00 H new ATOM 0 HB2 ARG A 47 45.804 -7.109 -14.718 1.00 0.00 H new ATOM 0 HB3 ARG A 47 45.365 -8.092 -16.101 1.00 0.00 H new ATOM 0 HG2 ARG A 47 42.980 -8.155 -15.203 1.00 0.00 H new ATOM 0 HG3 ARG A 47 43.471 -7.013 -13.968 1.00 0.00 H new ATOM 0 HD2 ARG A 47 43.720 -6.473 -16.958 1.00 0.00 H new ATOM 0 HD3 ARG A 47 42.340 -5.985 -15.995 1.00 0.00 H new ATOM 0 HE ARG A 47 44.738 -5.012 -14.748 1.00 0.00 H new ATOM 0 HH11 ARG A 47 42.763 -4.341 -17.604 1.00 0.00 H new ATOM 0 HH12 ARG A 47 43.265 -2.647 -17.640 1.00 0.00 H new ATOM 0 HH21 ARG A 47 45.302 -2.860 -14.867 1.00 0.00 H new ATOM 0 HH22 ARG A 47 44.644 -1.843 -16.154 1.00 0.00 H new ATOM 722 N ALA A 48 43.805 -9.199 -12.285 1.00 0.00 N ATOM 723 CA ALA A 48 43.427 -9.141 -10.865 1.00 0.00 C ATOM 724 C ALA A 48 42.161 -9.936 -10.468 1.00 0.00 C ATOM 725 O ALA A 48 42.093 -10.398 -9.330 1.00 0.00 O ATOM 726 CB ALA A 48 43.222 -7.671 -10.475 1.00 0.00 C ATOM 0 H ALA A 48 43.036 -9.463 -12.901 1.00 0.00 H new ATOM 0 HA ALA A 48 44.247 -9.618 -10.328 1.00 0.00 H new ATOM 0 HB1 ALA A 48 42.941 -7.609 -9.424 1.00 0.00 H new ATOM 0 HB2 ALA A 48 44.148 -7.119 -10.636 1.00 0.00 H new ATOM 0 HB3 ALA A 48 42.431 -7.239 -11.088 1.00 0.00 H new ATOM 732 N GLY A 49 41.151 -10.087 -11.339 1.00 0.00 N ATOM 733 CA GLY A 49 39.849 -10.657 -10.955 1.00 0.00 C ATOM 734 C GLY A 49 38.785 -10.591 -12.057 1.00 0.00 C ATOM 735 O GLY A 49 38.955 -11.208 -13.109 1.00 0.00 O ATOM 0 H GLY A 49 41.212 -9.820 -12.322 1.00 0.00 H new ATOM 0 HA2 GLY A 49 39.992 -11.698 -10.665 1.00 0.00 H new ATOM 0 HA3 GLY A 49 39.479 -10.129 -10.076 1.00 0.00 H new ATOM 739 N SER A 50 37.679 -9.875 -11.824 1.00 0.00 N ATOM 740 CA SER A 50 36.561 -9.758 -12.777 1.00 0.00 C ATOM 741 C SER A 50 35.985 -8.349 -12.894 1.00 0.00 C ATOM 742 O SER A 50 35.831 -7.632 -11.906 1.00 0.00 O ATOM 743 CB SER A 50 35.424 -10.724 -12.438 1.00 0.00 C ATOM 744 OG SER A 50 34.983 -10.605 -11.100 1.00 0.00 O ATOM 0 H SER A 50 37.530 -9.354 -10.960 1.00 0.00 H new ATOM 0 HA SER A 50 37.001 -10.016 -13.740 1.00 0.00 H new ATOM 0 HB2 SER A 50 34.585 -10.540 -13.110 1.00 0.00 H new ATOM 0 HB3 SER A 50 35.757 -11.746 -12.616 1.00 0.00 H new ATOM 0 HG SER A 50 34.256 -11.242 -10.937 1.00 0.00 H new ATOM 750 N TRP A 51 35.597 -7.963 -14.112 1.00 0.00 N ATOM 751 CA TRP A 51 34.789 -6.766 -14.356 1.00 0.00 C ATOM 752 C TRP A 51 33.312 -7.137 -14.328 1.00 0.00 C ATOM 753 O TRP A 51 32.878 -7.936 -15.150 1.00 0.00 O ATOM 754 CB TRP A 51 35.197 -6.097 -15.677 1.00 0.00 C ATOM 755 CG TRP A 51 36.016 -4.861 -15.497 1.00 0.00 C ATOM 756 CD1 TRP A 51 37.345 -4.748 -15.722 1.00 0.00 C ATOM 757 CD2 TRP A 51 35.573 -3.548 -15.035 1.00 0.00 C ATOM 758 NE1 TRP A 51 37.759 -3.465 -15.413 1.00 0.00 N ATOM 759 CE2 TRP A 51 36.703 -2.676 -15.008 1.00 0.00 C ATOM 760 CE3 TRP A 51 34.328 -3.011 -14.640 1.00 0.00 C ATOM 761 CZ2 TRP A 51 36.599 -1.330 -14.627 1.00 0.00 C ATOM 762 CZ3 TRP A 51 34.217 -1.661 -14.256 1.00 0.00 C ATOM 763 CH2 TRP A 51 35.343 -0.819 -14.259 1.00 0.00 C ATOM 0 H TRP A 51 35.836 -8.475 -14.961 1.00 0.00 H new ATOM 0 HA TRP A 51 34.967 -6.035 -13.567 1.00 0.00 H new ATOM 0 HB2 TRP A 51 35.761 -6.812 -16.277 1.00 0.00 H new ATOM 0 HB3 TRP A 51 34.298 -5.847 -16.240 1.00 0.00 H new ATOM 0 HD1 TRP A 51 37.985 -5.538 -16.087 1.00 0.00 H new ATOM 0 HE1 TRP A 51 38.725 -3.143 -15.477 1.00 0.00 H new ATOM 0 HE3 TRP A 51 33.452 -3.642 -14.632 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 37.473 -0.695 -14.617 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 33.257 -1.268 -13.956 1.00 0.00 H new ATOM 0 HH2 TRP A 51 35.243 0.219 -13.979 1.00 0.00 H new ATOM 774 N ILE A 52 32.547 -6.573 -13.396 1.00 0.00 N ATOM 775 CA ILE A 52 31.104 -6.786 -13.238 1.00 0.00 C ATOM 776 C ILE A 52 30.348 -5.636 -13.891 1.00 0.00 C ATOM 777 O ILE A 52 30.645 -4.475 -13.618 1.00 0.00 O ATOM 778 CB ILE A 52 30.718 -6.905 -11.748 1.00 0.00 C ATOM 779 CG1 ILE A 52 31.555 -7.950 -10.984 1.00 0.00 C ATOM 780 CG2 ILE A 52 29.219 -7.224 -11.596 1.00 0.00 C ATOM 781 CD1 ILE A 52 31.532 -9.352 -11.602 1.00 0.00 C ATOM 0 H ILE A 52 32.927 -5.930 -12.702 1.00 0.00 H new ATOM 0 HA ILE A 52 30.834 -7.723 -13.726 1.00 0.00 H new ATOM 0 HB ILE A 52 30.935 -5.934 -11.302 1.00 0.00 H new ATOM 0 HG12 ILE A 52 32.588 -7.605 -10.934 1.00 0.00 H new ATOM 0 HG13 ILE A 52 31.190 -8.012 -9.959 1.00 0.00 H new ATOM 0 HG21 ILE A 52 28.969 -7.303 -10.538 1.00 0.00 H new ATOM 0 HG22 ILE A 52 28.630 -6.427 -12.049 1.00 0.00 H new ATOM 0 HG23 ILE A 52 28.996 -8.168 -12.093 1.00 0.00 H new ATOM 0 HD11 ILE A 52 32.146 -10.024 -11.002 1.00 0.00 H new ATOM 0 HD12 ILE A 52 30.507 -9.722 -11.627 1.00 0.00 H new ATOM 0 HD13 ILE A 52 31.927 -9.309 -12.617 1.00 0.00 H new ATOM 793 N THR A 53 29.333 -5.962 -14.685 1.00 0.00 N ATOM 794 CA THR A 53 28.521 -4.994 -15.433 1.00 0.00 C ATOM 795 C THR A 53 27.054 -5.394 -15.339 1.00 0.00 C ATOM 796 O THR A 53 26.662 -6.456 -15.824 1.00 0.00 O ATOM 797 CB THR A 53 28.984 -4.924 -16.903 1.00 0.00 C ATOM 798 OG1 THR A 53 30.377 -4.696 -16.967 1.00 0.00 O ATOM 799 CG2 THR A 53 28.333 -3.770 -17.665 1.00 0.00 C ATOM 0 H THR A 53 29.041 -6.928 -14.833 1.00 0.00 H new ATOM 0 HA THR A 53 28.645 -4.001 -15.001 1.00 0.00 H new ATOM 0 HB THR A 53 28.700 -5.877 -17.350 1.00 0.00 H new ATOM 0 HG1 THR A 53 30.659 -4.655 -17.905 1.00 0.00 H new ATOM 0 HG21 THR A 53 28.692 -3.765 -18.694 1.00 0.00 H new ATOM 0 HG22 THR A 53 27.250 -3.895 -17.659 1.00 0.00 H new ATOM 0 HG23 THR A 53 28.592 -2.826 -17.186 1.00 0.00 H new ATOM 807 N ILE A 54 26.224 -4.552 -14.723 1.00 0.00 N ATOM 808 CA ILE A 54 24.776 -4.769 -14.605 1.00 0.00 C ATOM 809 C ILE A 54 24.052 -3.939 -15.663 1.00 0.00 C ATOM 810 O ILE A 54 24.284 -2.735 -15.819 1.00 0.00 O ATOM 811 CB ILE A 54 24.286 -4.595 -13.147 1.00 0.00 C ATOM 812 CG1 ILE A 54 22.758 -4.712 -12.938 1.00 0.00 C ATOM 813 CG2 ILE A 54 24.826 -3.321 -12.489 1.00 0.00 C ATOM 814 CD1 ILE A 54 21.909 -3.509 -13.379 1.00 0.00 C ATOM 0 H ILE A 54 26.540 -3.687 -14.285 1.00 0.00 H new ATOM 0 HA ILE A 54 24.524 -5.807 -14.823 1.00 0.00 H new ATOM 0 HB ILE A 54 24.715 -5.460 -12.640 1.00 0.00 H new ATOM 0 HG12 ILE A 54 22.407 -5.592 -13.476 1.00 0.00 H new ATOM 0 HG13 ILE A 54 22.572 -4.891 -11.879 1.00 0.00 H new ATOM 0 HG21 ILE A 54 24.450 -3.251 -11.468 1.00 0.00 H new ATOM 0 HG22 ILE A 54 25.915 -3.354 -12.473 1.00 0.00 H new ATOM 0 HG23 ILE A 54 24.497 -2.451 -13.057 1.00 0.00 H new ATOM 0 HD11 ILE A 54 20.857 -3.714 -13.181 1.00 0.00 H new ATOM 0 HD12 ILE A 54 22.217 -2.623 -12.824 1.00 0.00 H new ATOM 0 HD13 ILE A 54 22.050 -3.336 -14.446 1.00 0.00 H new ATOM 826 N THR A 55 23.169 -4.606 -16.402 1.00 0.00 N ATOM 827 CA THR A 55 22.399 -4.029 -17.506 1.00 0.00 C ATOM 828 C THR A 55 20.896 -4.125 -17.229 1.00 0.00 C ATOM 829 O THR A 55 20.416 -5.139 -16.728 1.00 0.00 O ATOM 830 CB THR A 55 22.775 -4.698 -18.842 1.00 0.00 C ATOM 831 OG1 THR A 55 22.740 -6.104 -18.721 1.00 0.00 O ATOM 832 CG2 THR A 55 24.202 -4.376 -19.283 1.00 0.00 C ATOM 0 H THR A 55 22.962 -5.593 -16.246 1.00 0.00 H new ATOM 0 HA THR A 55 22.650 -2.971 -17.586 1.00 0.00 H new ATOM 0 HB THR A 55 22.052 -4.317 -19.564 1.00 0.00 H new ATOM 0 HG1 THR A 55 22.980 -6.512 -19.579 1.00 0.00 H new ATOM 0 HG21 THR A 55 24.411 -4.874 -20.230 1.00 0.00 H new ATOM 0 HG22 THR A 55 24.310 -3.299 -19.408 1.00 0.00 H new ATOM 0 HG23 THR A 55 24.904 -4.725 -18.526 1.00 0.00 H new ATOM 840 N VAL A 56 20.142 -3.067 -17.545 1.00 0.00 N ATOM 841 CA VAL A 56 18.667 -3.034 -17.506 1.00 0.00 C ATOM 842 C VAL A 56 18.148 -3.216 -18.927 1.00 0.00 C ATOM 843 O VAL A 56 18.430 -2.405 -19.804 1.00 0.00 O ATOM 844 CB VAL A 56 18.143 -1.759 -16.805 1.00 0.00 C ATOM 845 CG1 VAL A 56 16.654 -1.483 -17.043 1.00 0.00 C ATOM 846 CG2 VAL A 56 18.330 -1.955 -15.300 1.00 0.00 C ATOM 0 H VAL A 56 20.549 -2.181 -17.845 1.00 0.00 H new ATOM 0 HA VAL A 56 18.283 -3.854 -16.899 1.00 0.00 H new ATOM 0 HB VAL A 56 18.700 -0.916 -17.215 1.00 0.00 H new ATOM 0 HG11 VAL A 56 16.364 -0.573 -16.518 1.00 0.00 H new ATOM 0 HG12 VAL A 56 16.473 -1.360 -18.111 1.00 0.00 H new ATOM 0 HG13 VAL A 56 16.064 -2.320 -16.669 1.00 0.00 H new ATOM 0 HG21 VAL A 56 17.970 -1.073 -14.771 1.00 0.00 H new ATOM 0 HG22 VAL A 56 17.766 -2.829 -14.974 1.00 0.00 H new ATOM 0 HG23 VAL A 56 19.387 -2.103 -15.081 1.00 0.00 H new ATOM 856 N ASN A 57 17.426 -4.315 -19.152 1.00 0.00 N ATOM 857 CA ASN A 57 17.018 -4.880 -20.451 1.00 0.00 C ATOM 858 C ASN A 57 18.196 -5.143 -21.413 1.00 0.00 C ATOM 859 O ASN A 57 18.578 -6.292 -21.634 1.00 0.00 O ATOM 860 CB ASN A 57 15.896 -4.036 -21.091 1.00 0.00 C ATOM 861 CG ASN A 57 14.636 -3.989 -20.245 1.00 0.00 C ATOM 862 OD1 ASN A 57 13.920 -4.969 -20.099 1.00 0.00 O ATOM 863 ND2 ASN A 57 14.331 -2.854 -19.658 1.00 0.00 N ATOM 0 H ASN A 57 17.082 -4.880 -18.376 1.00 0.00 H new ATOM 0 HA ASN A 57 16.610 -5.870 -20.247 1.00 0.00 H new ATOM 0 HB2 ASN A 57 16.258 -3.020 -21.251 1.00 0.00 H new ATOM 0 HB3 ASN A 57 15.654 -4.446 -22.072 1.00 0.00 H new ATOM 0 HD21 ASN A 57 13.494 -2.788 -19.078 1.00 0.00 H new ATOM 0 HD22 ASN A 57 14.931 -2.038 -19.782 1.00 0.00 H new ATOM 870 N GLN A 58 18.770 -4.071 -21.968 1.00 0.00 N ATOM 871 CA GLN A 58 19.889 -4.070 -22.920 1.00 0.00 C ATOM 872 C GLN A 58 20.875 -2.895 -22.713 1.00 0.00 C ATOM 873 O GLN A 58 21.774 -2.689 -23.529 1.00 0.00 O ATOM 874 CB GLN A 58 19.322 -4.106 -24.353 1.00 0.00 C ATOM 875 CG GLN A 58 18.403 -2.917 -24.689 1.00 0.00 C ATOM 876 CD GLN A 58 18.002 -2.910 -26.163 1.00 0.00 C ATOM 877 OE1 GLN A 58 16.927 -3.357 -26.547 1.00 0.00 O ATOM 878 NE2 GLN A 58 18.844 -2.420 -27.051 1.00 0.00 N ATOM 0 H GLN A 58 18.449 -3.127 -21.754 1.00 0.00 H new ATOM 0 HA GLN A 58 20.487 -4.963 -22.740 1.00 0.00 H new ATOM 0 HB2 GLN A 58 20.151 -4.124 -25.061 1.00 0.00 H new ATOM 0 HB3 GLN A 58 18.765 -5.033 -24.490 1.00 0.00 H new ATOM 0 HG2 GLN A 58 17.508 -2.963 -24.069 1.00 0.00 H new ATOM 0 HG3 GLN A 58 18.912 -1.984 -24.446 1.00 0.00 H new ATOM 0 HE21 GLN A 58 19.743 -2.044 -26.749 1.00 0.00 H new ATOM 0 HE22 GLN A 58 18.597 -2.417 -28.041 1.00 0.00 H new ATOM 887 N ASP A 59 20.716 -2.115 -21.636 1.00 0.00 N ATOM 888 CA ASP A 59 21.458 -0.872 -21.375 1.00 0.00 C ATOM 889 C ASP A 59 22.283 -0.970 -20.088 1.00 0.00 C ATOM 890 O ASP A 59 21.751 -1.338 -19.041 1.00 0.00 O ATOM 891 CB ASP A 59 20.471 0.302 -21.280 1.00 0.00 C ATOM 892 CG ASP A 59 19.873 0.665 -22.649 1.00 0.00 C ATOM 893 OD1 ASP A 59 18.658 0.442 -22.865 1.00 0.00 O ATOM 894 OD2 ASP A 59 20.616 1.200 -23.507 1.00 0.00 O ATOM 0 H ASP A 59 20.047 -2.337 -20.899 1.00 0.00 H new ATOM 0 HA ASP A 59 22.151 -0.707 -22.200 1.00 0.00 H new ATOM 0 HB2 ASP A 59 19.667 0.045 -20.590 1.00 0.00 H new ATOM 0 HB3 ASP A 59 20.981 1.172 -20.865 1.00 0.00 H new ATOM 899 N VAL A 60 23.574 -0.627 -20.125 1.00 0.00 N ATOM 900 CA VAL A 60 24.414 -0.576 -18.912 1.00 0.00 C ATOM 901 C VAL A 60 24.051 0.627 -18.038 1.00 0.00 C ATOM 902 O VAL A 60 23.843 1.734 -18.538 1.00 0.00 O ATOM 903 CB VAL A 60 25.924 -0.648 -19.237 1.00 0.00 C ATOM 904 CG1 VAL A 60 26.427 0.489 -20.135 1.00 0.00 C ATOM 905 CG2 VAL A 60 26.778 -0.670 -17.963 1.00 0.00 C ATOM 0 H VAL A 60 24.067 -0.379 -20.983 1.00 0.00 H new ATOM 0 HA VAL A 60 24.198 -1.470 -18.327 1.00 0.00 H new ATOM 0 HB VAL A 60 26.035 -1.583 -19.787 1.00 0.00 H new ATOM 0 HG11 VAL A 60 27.495 0.365 -20.315 1.00 0.00 H new ATOM 0 HG12 VAL A 60 25.894 0.465 -21.085 1.00 0.00 H new ATOM 0 HG13 VAL A 60 26.251 1.446 -19.644 1.00 0.00 H new ATOM 0 HG21 VAL A 60 27.833 -0.721 -18.233 1.00 0.00 H new ATOM 0 HG22 VAL A 60 26.594 0.236 -17.386 1.00 0.00 H new ATOM 0 HG23 VAL A 60 26.515 -1.541 -17.363 1.00 0.00 H new ATOM 915 N ILE A 61 23.998 0.399 -16.720 1.00 0.00 N ATOM 916 CA ILE A 61 23.722 1.446 -15.720 1.00 0.00 C ATOM 917 C ILE A 61 24.738 1.501 -14.576 1.00 0.00 C ATOM 918 O ILE A 61 24.942 2.570 -14.004 1.00 0.00 O ATOM 919 CB ILE A 61 22.299 1.302 -15.149 1.00 0.00 C ATOM 920 CG1 ILE A 61 21.929 -0.133 -14.735 1.00 0.00 C ATOM 921 CG2 ILE A 61 21.272 1.873 -16.136 1.00 0.00 C ATOM 922 CD1 ILE A 61 20.779 -0.135 -13.727 1.00 0.00 C ATOM 0 H ILE A 61 24.146 -0.524 -16.311 1.00 0.00 H new ATOM 0 HA ILE A 61 23.812 2.389 -16.260 1.00 0.00 H new ATOM 0 HB ILE A 61 22.281 1.881 -14.226 1.00 0.00 H new ATOM 0 HG12 ILE A 61 21.645 -0.708 -15.617 1.00 0.00 H new ATOM 0 HG13 ILE A 61 22.799 -0.625 -14.300 1.00 0.00 H new ATOM 0 HG21 ILE A 61 20.270 1.765 -15.721 1.00 0.00 H new ATOM 0 HG22 ILE A 61 21.482 2.929 -16.309 1.00 0.00 H new ATOM 0 HG23 ILE A 61 21.334 1.331 -17.080 1.00 0.00 H new ATOM 0 HD11 ILE A 61 20.538 -1.162 -13.452 1.00 0.00 H new ATOM 0 HD12 ILE A 61 21.075 0.420 -12.836 1.00 0.00 H new ATOM 0 HD13 ILE A 61 19.903 0.336 -14.173 1.00 0.00 H new ATOM 934 N PHE A 62 25.389 0.380 -14.247 1.00 0.00 N ATOM 935 CA PHE A 62 26.444 0.336 -13.235 1.00 0.00 C ATOM 936 C PHE A 62 27.450 -0.772 -13.553 1.00 0.00 C ATOM 937 O PHE A 62 27.099 -1.810 -14.118 1.00 0.00 O ATOM 938 CB PHE A 62 25.823 0.193 -11.832 1.00 0.00 C ATOM 939 CG PHE A 62 26.847 -0.067 -10.736 1.00 0.00 C ATOM 940 CD1 PHE A 62 27.026 -1.359 -10.200 1.00 0.00 C ATOM 941 CD2 PHE A 62 27.704 0.974 -10.333 1.00 0.00 C ATOM 942 CE1 PHE A 62 28.075 -1.615 -9.297 1.00 0.00 C ATOM 943 CE2 PHE A 62 28.740 0.722 -9.417 1.00 0.00 C ATOM 944 CZ PHE A 62 28.927 -0.572 -8.903 1.00 0.00 C ATOM 0 H PHE A 62 25.197 -0.524 -14.678 1.00 0.00 H new ATOM 0 HA PHE A 62 27.000 1.273 -13.248 1.00 0.00 H new ATOM 0 HB2 PHE A 62 25.271 1.102 -11.594 1.00 0.00 H new ATOM 0 HB3 PHE A 62 25.101 -0.624 -11.845 1.00 0.00 H new ATOM 0 HD1 PHE A 62 26.355 -2.156 -10.484 1.00 0.00 H new ATOM 0 HD2 PHE A 62 27.565 1.969 -10.729 1.00 0.00 H new ATOM 0 HE1 PHE A 62 28.224 -2.612 -8.908 1.00 0.00 H new ATOM 0 HE2 PHE A 62 29.393 1.524 -9.108 1.00 0.00 H new ATOM 0 HZ PHE A 62 29.727 -0.764 -8.204 1.00 0.00 H new ATOM 954 N GLN A 63 28.711 -0.542 -13.196 1.00 0.00 N ATOM 955 CA GLN A 63 29.797 -1.505 -13.363 1.00 0.00 C ATOM 956 C GLN A 63 30.948 -1.247 -12.376 1.00 0.00 C ATOM 957 O GLN A 63 31.227 -0.102 -12.016 1.00 0.00 O ATOM 958 CB GLN A 63 30.263 -1.517 -14.833 1.00 0.00 C ATOM 959 CG GLN A 63 30.758 -0.168 -15.383 1.00 0.00 C ATOM 960 CD GLN A 63 31.080 -0.257 -16.874 1.00 0.00 C ATOM 961 OE1 GLN A 63 30.432 0.354 -17.715 1.00 0.00 O ATOM 962 NE2 GLN A 63 32.079 -1.020 -17.264 1.00 0.00 N ATOM 0 H GLN A 63 29.013 0.336 -12.774 1.00 0.00 H new ATOM 0 HA GLN A 63 29.424 -2.501 -13.123 1.00 0.00 H new ATOM 0 HB2 GLN A 63 31.065 -2.248 -14.935 1.00 0.00 H new ATOM 0 HB3 GLN A 63 29.437 -1.862 -15.455 1.00 0.00 H new ATOM 0 HG2 GLN A 63 29.997 0.595 -15.219 1.00 0.00 H new ATOM 0 HG3 GLN A 63 31.647 0.146 -14.836 1.00 0.00 H new ATOM 0 HE21 GLN A 63 32.627 -1.534 -16.575 1.00 0.00 H new ATOM 0 HE22 GLN A 63 32.305 -1.097 -18.256 1.00 0.00 H new ATOM 971 N THR A 64 31.619 -2.316 -11.937 1.00 0.00 N ATOM 972 CA THR A 64 32.710 -2.278 -10.946 1.00 0.00 C ATOM 973 C THR A 64 33.685 -3.451 -11.108 1.00 0.00 C ATOM 974 O THR A 64 33.336 -4.484 -11.680 1.00 0.00 O ATOM 975 CB THR A 64 32.128 -2.233 -9.524 1.00 0.00 C ATOM 976 OG1 THR A 64 33.167 -2.050 -8.587 1.00 0.00 O ATOM 977 CG2 THR A 64 31.337 -3.487 -9.136 1.00 0.00 C ATOM 0 H THR A 64 31.416 -3.260 -12.267 1.00 0.00 H new ATOM 0 HA THR A 64 33.286 -1.370 -11.122 1.00 0.00 H new ATOM 0 HB THR A 64 31.430 -1.396 -9.515 1.00 0.00 H new ATOM 0 HG1 THR A 64 32.790 -2.020 -7.683 1.00 0.00 H new ATOM 0 HG21 THR A 64 30.959 -3.379 -8.119 1.00 0.00 H new ATOM 0 HG22 THR A 64 30.500 -3.616 -9.822 1.00 0.00 H new ATOM 0 HG23 THR A 64 31.988 -4.359 -9.190 1.00 0.00 H new ATOM 985 N PHE A 65 34.911 -3.306 -10.604 1.00 0.00 N ATOM 986 CA PHE A 65 35.967 -4.315 -10.694 1.00 0.00 C ATOM 987 C PHE A 65 36.115 -5.068 -9.360 1.00 0.00 C ATOM 988 O PHE A 65 36.410 -4.467 -8.323 1.00 0.00 O ATOM 989 CB PHE A 65 37.257 -3.618 -11.152 1.00 0.00 C ATOM 990 CG PHE A 65 38.372 -4.527 -11.634 1.00 0.00 C ATOM 991 CD1 PHE A 65 38.114 -5.500 -12.616 1.00 0.00 C ATOM 992 CD2 PHE A 65 39.689 -4.339 -11.176 1.00 0.00 C ATOM 993 CE1 PHE A 65 39.153 -6.291 -13.130 1.00 0.00 C ATOM 994 CE2 PHE A 65 40.737 -5.117 -11.702 1.00 0.00 C ATOM 995 CZ PHE A 65 40.467 -6.093 -12.679 1.00 0.00 C ATOM 0 H PHE A 65 35.204 -2.463 -10.110 1.00 0.00 H new ATOM 0 HA PHE A 65 35.717 -5.079 -11.430 1.00 0.00 H new ATOM 0 HB2 PHE A 65 37.006 -2.926 -11.956 1.00 0.00 H new ATOM 0 HB3 PHE A 65 37.636 -3.019 -10.324 1.00 0.00 H new ATOM 0 HD1 PHE A 65 37.106 -5.640 -12.978 1.00 0.00 H new ATOM 0 HD2 PHE A 65 39.896 -3.596 -10.420 1.00 0.00 H new ATOM 0 HE1 PHE A 65 38.942 -7.049 -13.870 1.00 0.00 H new ATOM 0 HE2 PHE A 65 41.749 -4.965 -11.356 1.00 0.00 H new ATOM 0 HZ PHE A 65 41.272 -6.690 -13.082 1.00 0.00 H new ATOM 1005 N LEU A 66 35.880 -6.385 -9.380 1.00 0.00 N ATOM 1006 CA LEU A 66 35.974 -7.277 -8.223 1.00 0.00 C ATOM 1007 C LEU A 66 37.376 -7.890 -8.076 1.00 0.00 C ATOM 1008 O LEU A 66 38.040 -8.219 -9.063 1.00 0.00 O ATOM 1009 CB LEU A 66 34.924 -8.395 -8.317 1.00 0.00 C ATOM 1010 CG LEU A 66 33.514 -8.064 -7.819 1.00 0.00 C ATOM 1011 CD1 LEU A 66 32.665 -9.324 -7.980 1.00 0.00 C ATOM 1012 CD2 LEU A 66 33.466 -7.704 -6.332 1.00 0.00 C ATOM 0 H LEU A 66 35.610 -6.874 -10.233 1.00 0.00 H new ATOM 0 HA LEU A 66 35.781 -6.671 -7.338 1.00 0.00 H new ATOM 0 HB2 LEU A 66 34.852 -8.706 -9.359 1.00 0.00 H new ATOM 0 HB3 LEU A 66 35.290 -9.253 -7.753 1.00 0.00 H new ATOM 0 HG LEU A 66 33.160 -7.208 -8.394 1.00 0.00 H new ATOM 0 HD11 LEU A 66 31.650 -9.126 -7.634 1.00 0.00 H new ATOM 0 HD12 LEU A 66 32.640 -9.614 -9.030 1.00 0.00 H new ATOM 0 HD13 LEU A 66 33.098 -10.132 -7.390 1.00 0.00 H new ATOM 0 HD21 LEU A 66 32.439 -7.481 -6.045 1.00 0.00 H new ATOM 0 HD22 LEU A 66 33.833 -8.544 -5.742 1.00 0.00 H new ATOM 0 HD23 LEU A 66 34.092 -6.831 -6.149 1.00 0.00 H new ATOM 1024 N PHE A 67 37.765 -8.127 -6.820 1.00 0.00 N ATOM 1025 CA PHE A 67 39.024 -8.773 -6.430 1.00 0.00 C ATOM 1026 C PHE A 67 38.758 -10.034 -5.573 1.00 0.00 C ATOM 1027 O PHE A 67 37.937 -9.977 -4.655 1.00 0.00 O ATOM 1028 CB PHE A 67 39.895 -7.767 -5.661 1.00 0.00 C ATOM 1029 CG PHE A 67 40.335 -6.547 -6.453 1.00 0.00 C ATOM 1030 CD1 PHE A 67 41.590 -6.532 -7.091 1.00 0.00 C ATOM 1031 CD2 PHE A 67 39.504 -5.412 -6.529 1.00 0.00 C ATOM 1032 CE1 PHE A 67 42.009 -5.392 -7.800 1.00 0.00 C ATOM 1033 CE2 PHE A 67 39.918 -4.276 -7.246 1.00 0.00 C ATOM 1034 CZ PHE A 67 41.173 -4.264 -7.878 1.00 0.00 C ATOM 0 H PHE A 67 37.192 -7.865 -6.017 1.00 0.00 H new ATOM 0 HA PHE A 67 39.552 -9.092 -7.329 1.00 0.00 H new ATOM 0 HB2 PHE A 67 39.343 -7.430 -4.784 1.00 0.00 H new ATOM 0 HB3 PHE A 67 40.784 -8.284 -5.299 1.00 0.00 H new ATOM 0 HD1 PHE A 67 42.233 -7.398 -7.036 1.00 0.00 H new ATOM 0 HD2 PHE A 67 38.544 -5.415 -6.034 1.00 0.00 H new ATOM 0 HE1 PHE A 67 42.974 -5.383 -8.285 1.00 0.00 H new ATOM 0 HE2 PHE A 67 39.272 -3.413 -7.311 1.00 0.00 H new ATOM 0 HZ PHE A 67 41.495 -3.389 -8.423 1.00 0.00 H new ATOM 1044 N PRO A 68 39.440 -11.168 -5.842 1.00 0.00 N ATOM 1045 CA PRO A 68 39.249 -12.429 -5.115 1.00 0.00 C ATOM 1046 C PRO A 68 40.021 -12.489 -3.781 1.00 0.00 C ATOM 1047 O PRO A 68 39.551 -13.106 -2.824 1.00 0.00 O ATOM 1048 CB PRO A 68 39.724 -13.510 -6.092 1.00 0.00 C ATOM 1049 CG PRO A 68 40.824 -12.803 -6.885 1.00 0.00 C ATOM 1050 CD PRO A 68 40.298 -11.382 -6.998 1.00 0.00 C ATOM 0 HA PRO A 68 38.208 -12.556 -4.818 1.00 0.00 H new ATOM 0 HB2 PRO A 68 40.105 -14.387 -5.569 1.00 0.00 H new ATOM 0 HB3 PRO A 68 38.916 -13.851 -6.739 1.00 0.00 H new ATOM 0 HG2 PRO A 68 41.783 -12.839 -6.367 1.00 0.00 H new ATOM 0 HG3 PRO A 68 40.973 -13.258 -7.864 1.00 0.00 H new ATOM 0 HD2 PRO A 68 41.118 -10.664 -7.011 1.00 0.00 H new ATOM 0 HD3 PRO A 68 39.741 -11.247 -7.925 1.00 0.00 H new ATOM 1058 N LEU A 69 41.199 -11.848 -3.709 1.00 0.00 N ATOM 1059 CA LEU A 69 42.075 -11.846 -2.527 1.00 0.00 C ATOM 1060 C LEU A 69 41.645 -10.793 -1.489 1.00 0.00 C ATOM 1061 O LEU A 69 41.756 -11.027 -0.282 1.00 0.00 O ATOM 1062 CB LEU A 69 43.526 -11.666 -3.027 1.00 0.00 C ATOM 1063 CG LEU A 69 44.621 -11.712 -1.938 1.00 0.00 C ATOM 1064 CD1 LEU A 69 45.923 -12.257 -2.529 1.00 0.00 C ATOM 1065 CD2 LEU A 69 44.945 -10.326 -1.369 1.00 0.00 C ATOM 0 H LEU A 69 41.576 -11.306 -4.487 1.00 0.00 H new ATOM 0 HA LEU A 69 41.999 -12.792 -1.991 1.00 0.00 H new ATOM 0 HB2 LEU A 69 43.737 -12.444 -3.761 1.00 0.00 H new ATOM 0 HB3 LEU A 69 43.596 -10.710 -3.546 1.00 0.00 H new ATOM 0 HG LEU A 69 44.231 -12.349 -1.144 1.00 0.00 H new ATOM 0 HD11 LEU A 69 46.690 -12.286 -1.755 1.00 0.00 H new ATOM 0 HD12 LEU A 69 45.755 -13.264 -2.912 1.00 0.00 H new ATOM 0 HD13 LEU A 69 46.253 -11.610 -3.342 1.00 0.00 H new ATOM 0 HD21 LEU A 69 45.720 -10.417 -0.608 1.00 0.00 H new ATOM 0 HD22 LEU A 69 45.298 -9.677 -2.171 1.00 0.00 H new ATOM 0 HD23 LEU A 69 44.048 -9.897 -0.923 1.00 0.00 H new ATOM 1077 N LYS A 70 41.139 -9.644 -1.957 1.00 0.00 N ATOM 1078 CA LYS A 70 40.689 -8.517 -1.115 1.00 0.00 C ATOM 1079 C LYS A 70 39.264 -8.749 -0.583 1.00 0.00 C ATOM 1080 O LYS A 70 38.434 -9.371 -1.245 1.00 0.00 O ATOM 1081 CB LYS A 70 40.848 -7.205 -1.908 1.00 0.00 C ATOM 1082 CG LYS A 70 40.714 -5.938 -1.046 1.00 0.00 C ATOM 1083 CD LYS A 70 40.997 -4.677 -1.876 1.00 0.00 C ATOM 1084 CE LYS A 70 40.863 -3.422 -1.000 1.00 0.00 C ATOM 1085 NZ LYS A 70 41.171 -2.180 -1.765 1.00 0.00 N ATOM 0 H LYS A 70 41.027 -9.464 -2.955 1.00 0.00 H new ATOM 0 HA LYS A 70 41.313 -8.442 -0.225 1.00 0.00 H new ATOM 0 HB2 LYS A 70 41.824 -7.201 -2.394 1.00 0.00 H new ATOM 0 HB3 LYS A 70 40.098 -7.176 -2.699 1.00 0.00 H new ATOM 0 HG2 LYS A 70 39.710 -5.884 -0.626 1.00 0.00 H new ATOM 0 HG3 LYS A 70 41.408 -5.989 -0.207 1.00 0.00 H new ATOM 0 HD2 LYS A 70 42.001 -4.729 -2.298 1.00 0.00 H new ATOM 0 HD3 LYS A 70 40.301 -4.621 -2.713 1.00 0.00 H new ATOM 0 HE2 LYS A 70 39.850 -3.362 -0.602 1.00 0.00 H new ATOM 0 HE3 LYS A 70 41.537 -3.500 -0.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 41.070 -1.354 -1.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 42.146 -2.226 -2.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 40.512 -2.092 -2.565 1.00 0.00 H new ATOM 1099 N ARG A 71 38.972 -8.229 0.618 1.00 0.00 N ATOM 1100 CA ARG A 71 37.724 -8.482 1.380 1.00 0.00 C ATOM 1101 C ARG A 71 36.585 -7.478 1.146 1.00 0.00 C ATOM 1102 O ARG A 71 35.678 -7.366 1.968 1.00 0.00 O ATOM 1103 CB ARG A 71 38.068 -8.762 2.860 1.00 0.00 C ATOM 1104 CG ARG A 71 38.589 -7.544 3.646 1.00 0.00 C ATOM 1105 CD ARG A 71 39.213 -7.955 4.989 1.00 0.00 C ATOM 1106 NE ARG A 71 38.244 -8.634 5.879 1.00 0.00 N ATOM 1107 CZ ARG A 71 37.582 -8.122 6.903 1.00 0.00 C ATOM 1108 NH1 ARG A 71 37.676 -6.865 7.236 1.00 0.00 N ATOM 1109 NH2 ARG A 71 36.794 -8.874 7.614 1.00 0.00 N ATOM 0 H ARG A 71 39.611 -7.602 1.107 1.00 0.00 H new ATOM 0 HA ARG A 71 37.271 -9.385 0.970 1.00 0.00 H new ATOM 0 HB2 ARG A 71 37.177 -9.144 3.359 1.00 0.00 H new ATOM 0 HB3 ARG A 71 38.819 -9.551 2.900 1.00 0.00 H new ATOM 0 HG2 ARG A 71 39.331 -7.015 3.047 1.00 0.00 H new ATOM 0 HG3 ARG A 71 37.769 -6.849 3.824 1.00 0.00 H new ATOM 0 HD2 ARG A 71 40.059 -8.617 4.806 1.00 0.00 H new ATOM 0 HD3 ARG A 71 39.604 -7.070 5.491 1.00 0.00 H new ATOM 0 HE ARG A 71 38.065 -9.618 5.678 1.00 0.00 H new ATOM 0 HH11 ARG A 71 38.276 -6.239 6.700 1.00 0.00 H new ATOM 0 HH12 ARG A 71 37.149 -6.508 8.033 1.00 0.00 H new ATOM 0 HH21 ARG A 71 36.685 -9.861 7.382 1.00 0.00 H new ATOM 0 HH22 ARG A 71 36.285 -8.476 8.403 1.00 0.00 H new ATOM 1123 N ASP A 72 36.607 -6.754 0.024 1.00 0.00 N ATOM 1124 CA ASP A 72 35.552 -5.798 -0.356 1.00 0.00 C ATOM 1125 C ASP A 72 34.305 -6.443 -0.970 1.00 0.00 C ATOM 1126 O ASP A 72 33.275 -5.782 -1.012 1.00 0.00 O ATOM 1127 CB ASP A 72 36.089 -4.729 -1.315 1.00 0.00 C ATOM 1128 CG ASP A 72 36.350 -5.283 -2.731 1.00 0.00 C ATOM 1129 OD1 ASP A 72 35.436 -5.209 -3.590 1.00 0.00 O ATOM 1130 OD2 ASP A 72 37.464 -5.807 -2.965 1.00 0.00 O ATOM 0 H ASP A 72 37.364 -6.812 -0.657 1.00 0.00 H new ATOM 0 HA ASP A 72 35.243 -5.342 0.585 1.00 0.00 H new ATOM 0 HB2 ASP A 72 35.375 -3.908 -1.376 1.00 0.00 H new ATOM 0 HB3 ASP A 72 37.015 -4.317 -0.913 1.00 0.00 H new ATOM 1135 N PHE A 73 34.365 -7.701 -1.428 1.00 0.00 N ATOM 1136 CA PHE A 73 33.313 -8.335 -2.244 1.00 0.00 C ATOM 1137 C PHE A 73 31.894 -8.120 -1.692 1.00 0.00 C ATOM 1138 O PHE A 73 31.014 -7.669 -2.421 1.00 0.00 O ATOM 1139 CB PHE A 73 33.648 -9.832 -2.408 1.00 0.00 C ATOM 1140 CG PHE A 73 32.516 -10.673 -2.971 1.00 0.00 C ATOM 1141 CD1 PHE A 73 32.451 -10.938 -4.352 1.00 0.00 C ATOM 1142 CD2 PHE A 73 31.509 -11.169 -2.116 1.00 0.00 C ATOM 1143 CE1 PHE A 73 31.365 -11.657 -4.882 1.00 0.00 C ATOM 1144 CE2 PHE A 73 30.419 -11.874 -2.646 1.00 0.00 C ATOM 1145 CZ PHE A 73 30.341 -12.104 -4.027 1.00 0.00 C ATOM 0 H PHE A 73 35.156 -8.318 -1.241 1.00 0.00 H new ATOM 0 HA PHE A 73 33.304 -7.850 -3.220 1.00 0.00 H new ATOM 0 HB2 PHE A 73 34.515 -9.928 -3.062 1.00 0.00 H new ATOM 0 HB3 PHE A 73 33.935 -10.235 -1.437 1.00 0.00 H new ATOM 0 HD1 PHE A 73 33.237 -10.588 -5.006 1.00 0.00 H new ATOM 0 HD2 PHE A 73 31.578 -11.005 -1.051 1.00 0.00 H new ATOM 0 HE1 PHE A 73 31.317 -11.865 -5.941 1.00 0.00 H new ATOM 0 HE2 PHE A 73 29.641 -12.239 -1.992 1.00 0.00 H new ATOM 0 HZ PHE A 73 29.490 -12.627 -4.437 1.00 0.00 H new ATOM 1155 N GLU A 74 31.677 -8.355 -0.392 1.00 0.00 N ATOM 1156 CA GLU A 74 30.359 -8.184 0.243 1.00 0.00 C ATOM 1157 C GLU A 74 29.884 -6.726 0.192 1.00 0.00 C ATOM 1158 O GLU A 74 28.733 -6.437 -0.135 1.00 0.00 O ATOM 1159 CB GLU A 74 30.451 -8.663 1.698 1.00 0.00 C ATOM 1160 CG GLU A 74 29.072 -8.978 2.284 1.00 0.00 C ATOM 1161 CD GLU A 74 29.194 -9.451 3.746 1.00 0.00 C ATOM 1162 OE1 GLU A 74 29.098 -10.676 4.004 1.00 0.00 O ATOM 1163 OE2 GLU A 74 29.384 -8.600 4.649 1.00 0.00 O ATOM 0 H GLU A 74 32.406 -8.668 0.250 1.00 0.00 H new ATOM 0 HA GLU A 74 29.627 -8.776 -0.306 1.00 0.00 H new ATOM 0 HB2 GLU A 74 31.079 -9.553 1.748 1.00 0.00 H new ATOM 0 HB3 GLU A 74 30.936 -7.896 2.303 1.00 0.00 H new ATOM 0 HG2 GLU A 74 28.440 -8.091 2.235 1.00 0.00 H new ATOM 0 HG3 GLU A 74 28.586 -9.749 1.687 1.00 0.00 H new ATOM 1170 N LYS A 75 30.809 -5.794 0.446 1.00 0.00 N ATOM 1171 CA LYS A 75 30.566 -4.346 0.419 1.00 0.00 C ATOM 1172 C LYS A 75 30.258 -3.879 -1.004 1.00 0.00 C ATOM 1173 O LYS A 75 29.265 -3.193 -1.223 1.00 0.00 O ATOM 1174 CB LYS A 75 31.753 -3.583 1.048 1.00 0.00 C ATOM 1175 CG LYS A 75 31.987 -3.994 2.515 1.00 0.00 C ATOM 1176 CD LYS A 75 33.135 -5.005 2.686 1.00 0.00 C ATOM 1177 CE LYS A 75 32.970 -5.801 3.988 1.00 0.00 C ATOM 1178 NZ LYS A 75 34.196 -6.591 4.309 1.00 0.00 N ATOM 0 H LYS A 75 31.773 -6.031 0.682 1.00 0.00 H new ATOM 0 HA LYS A 75 29.688 -4.122 1.025 1.00 0.00 H new ATOM 0 HB2 LYS A 75 32.656 -3.775 0.469 1.00 0.00 H new ATOM 0 HB3 LYS A 75 31.563 -2.511 0.997 1.00 0.00 H new ATOM 0 HG2 LYS A 75 32.205 -3.104 3.105 1.00 0.00 H new ATOM 0 HG3 LYS A 75 31.069 -4.425 2.916 1.00 0.00 H new ATOM 0 HD2 LYS A 75 33.154 -5.688 1.837 1.00 0.00 H new ATOM 0 HD3 LYS A 75 34.090 -4.480 2.694 1.00 0.00 H new ATOM 0 HE2 LYS A 75 32.752 -5.117 4.808 1.00 0.00 H new ATOM 0 HE3 LYS A 75 32.117 -6.473 3.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 33.927 -7.458 4.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 34.687 -6.844 3.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 34.829 -6.022 4.907 1.00 0.00 H new ATOM 1192 N THR A 76 31.026 -4.350 -1.983 1.00 0.00 N ATOM 1193 CA THR A 76 30.812 -4.109 -3.420 1.00 0.00 C ATOM 1194 C THR A 76 29.470 -4.669 -3.907 1.00 0.00 C ATOM 1195 O THR A 76 28.767 -3.980 -4.644 1.00 0.00 O ATOM 1196 CB THR A 76 32.007 -4.662 -4.220 1.00 0.00 C ATOM 1197 OG1 THR A 76 33.136 -3.874 -3.912 1.00 0.00 O ATOM 1198 CG2 THR A 76 31.797 -4.584 -5.734 1.00 0.00 C ATOM 0 H THR A 76 31.844 -4.931 -1.799 1.00 0.00 H new ATOM 0 HA THR A 76 30.756 -3.034 -3.588 1.00 0.00 H new ATOM 0 HB THR A 76 32.129 -5.710 -3.948 1.00 0.00 H new ATOM 0 HG1 THR A 76 33.950 -4.402 -4.047 1.00 0.00 H new ATOM 0 HG21 THR A 76 32.672 -4.988 -6.244 1.00 0.00 H new ATOM 0 HG22 THR A 76 30.916 -5.164 -6.010 1.00 0.00 H new ATOM 0 HG23 THR A 76 31.653 -3.544 -6.028 1.00 0.00 H new ATOM 1206 N VAL A 77 29.041 -5.849 -3.439 1.00 0.00 N ATOM 1207 CA VAL A 77 27.698 -6.398 -3.719 1.00 0.00 C ATOM 1208 C VAL A 77 26.615 -5.484 -3.149 1.00 0.00 C ATOM 1209 O VAL A 77 25.752 -5.042 -3.900 1.00 0.00 O ATOM 1210 CB VAL A 77 27.540 -7.841 -3.188 1.00 0.00 C ATOM 1211 CG1 VAL A 77 26.080 -8.313 -3.190 1.00 0.00 C ATOM 1212 CG2 VAL A 77 28.327 -8.831 -4.052 1.00 0.00 C ATOM 0 H VAL A 77 29.615 -6.456 -2.853 1.00 0.00 H new ATOM 0 HA VAL A 77 27.581 -6.441 -4.802 1.00 0.00 H new ATOM 0 HB VAL A 77 27.917 -7.818 -2.166 1.00 0.00 H new ATOM 0 HG11 VAL A 77 26.027 -9.332 -2.808 1.00 0.00 H new ATOM 0 HG12 VAL A 77 25.484 -7.656 -2.556 1.00 0.00 H new ATOM 0 HG13 VAL A 77 25.690 -8.286 -4.208 1.00 0.00 H new ATOM 0 HG21 VAL A 77 28.200 -9.839 -3.658 1.00 0.00 H new ATOM 0 HG22 VAL A 77 27.958 -8.793 -5.077 1.00 0.00 H new ATOM 0 HG23 VAL A 77 29.384 -8.566 -4.037 1.00 0.00 H new ATOM 1222 N VAL A 78 26.670 -5.147 -1.855 1.00 0.00 N ATOM 1223 CA VAL A 78 25.645 -4.311 -1.195 1.00 0.00 C ATOM 1224 C VAL A 78 25.574 -2.919 -1.829 1.00 0.00 C ATOM 1225 O VAL A 78 24.489 -2.390 -2.062 1.00 0.00 O ATOM 1226 CB VAL A 78 25.907 -4.225 0.323 1.00 0.00 C ATOM 1227 CG1 VAL A 78 24.996 -3.219 1.039 1.00 0.00 C ATOM 1228 CG2 VAL A 78 25.662 -5.591 0.975 1.00 0.00 C ATOM 0 H VAL A 78 27.422 -5.442 -1.232 1.00 0.00 H new ATOM 0 HA VAL A 78 24.675 -4.785 -1.342 1.00 0.00 H new ATOM 0 HB VAL A 78 26.942 -3.899 0.426 1.00 0.00 H new ATOM 0 HG11 VAL A 78 25.232 -3.208 2.103 1.00 0.00 H new ATOM 0 HG12 VAL A 78 25.153 -2.224 0.622 1.00 0.00 H new ATOM 0 HG13 VAL A 78 23.954 -3.509 0.902 1.00 0.00 H new ATOM 0 HG21 VAL A 78 25.849 -5.522 2.047 1.00 0.00 H new ATOM 0 HG22 VAL A 78 24.629 -5.895 0.806 1.00 0.00 H new ATOM 0 HG23 VAL A 78 26.334 -6.329 0.536 1.00 0.00 H new ATOM 1238 N ALA A 79 26.723 -2.354 -2.196 1.00 0.00 N ATOM 1239 CA ALA A 79 26.810 -1.044 -2.825 1.00 0.00 C ATOM 1240 C ALA A 79 26.266 -1.053 -4.261 1.00 0.00 C ATOM 1241 O ALA A 79 25.693 -0.061 -4.709 1.00 0.00 O ATOM 1242 CB ALA A 79 28.276 -0.617 -2.765 1.00 0.00 C ATOM 0 H ALA A 79 27.630 -2.802 -2.062 1.00 0.00 H new ATOM 0 HA ALA A 79 26.185 -0.326 -2.294 1.00 0.00 H new ATOM 0 HB1 ALA A 79 28.389 0.364 -3.227 1.00 0.00 H new ATOM 0 HB2 ALA A 79 28.598 -0.567 -1.725 1.00 0.00 H new ATOM 0 HB3 ALA A 79 28.889 -1.343 -3.300 1.00 0.00 H new ATOM 1248 N ALA A 80 26.396 -2.158 -4.999 1.00 0.00 N ATOM 1249 CA ALA A 80 25.819 -2.290 -6.337 1.00 0.00 C ATOM 1250 C ALA A 80 24.284 -2.264 -6.311 1.00 0.00 C ATOM 1251 O ALA A 80 23.676 -1.786 -7.262 1.00 0.00 O ATOM 1252 CB ALA A 80 26.337 -3.586 -6.968 1.00 0.00 C ATOM 0 H ALA A 80 26.904 -2.985 -4.685 1.00 0.00 H new ATOM 0 HA ALA A 80 26.128 -1.435 -6.938 1.00 0.00 H new ATOM 0 HB1 ALA A 80 25.915 -3.698 -7.967 1.00 0.00 H new ATOM 0 HB2 ALA A 80 27.424 -3.549 -7.035 1.00 0.00 H new ATOM 0 HB3 ALA A 80 26.041 -4.435 -6.351 1.00 0.00 H new ATOM 1258 N LEU A 81 23.650 -2.694 -5.213 1.00 0.00 N ATOM 1259 CA LEU A 81 22.183 -2.669 -5.066 1.00 0.00 C ATOM 1260 C LEU A 81 21.670 -1.220 -5.121 1.00 0.00 C ATOM 1261 O LEU A 81 20.774 -0.888 -5.895 1.00 0.00 O ATOM 1262 CB LEU A 81 21.748 -3.318 -3.733 1.00 0.00 C ATOM 1263 CG LEU A 81 22.341 -4.694 -3.392 1.00 0.00 C ATOM 1264 CD1 LEU A 81 21.963 -5.080 -1.965 1.00 0.00 C ATOM 1265 CD2 LEU A 81 21.881 -5.808 -4.325 1.00 0.00 C ATOM 0 H LEU A 81 24.137 -3.070 -4.399 1.00 0.00 H new ATOM 0 HA LEU A 81 21.753 -3.240 -5.889 1.00 0.00 H new ATOM 0 HB2 LEU A 81 22.002 -2.632 -2.925 1.00 0.00 H new ATOM 0 HB3 LEU A 81 20.662 -3.412 -3.742 1.00 0.00 H new ATOM 0 HG LEU A 81 23.420 -4.592 -3.509 1.00 0.00 H new ATOM 0 HD11 LEU A 81 22.386 -6.056 -1.728 1.00 0.00 H new ATOM 0 HD12 LEU A 81 22.355 -4.337 -1.271 1.00 0.00 H new ATOM 0 HD13 LEU A 81 20.878 -5.123 -1.875 1.00 0.00 H new ATOM 0 HD21 LEU A 81 22.341 -6.749 -4.022 1.00 0.00 H new ATOM 0 HD22 LEU A 81 20.796 -5.901 -4.274 1.00 0.00 H new ATOM 0 HD23 LEU A 81 22.177 -5.572 -5.347 1.00 0.00 H new ATOM 1277 N ILE A 82 22.317 -0.343 -4.344 1.00 0.00 N ATOM 1278 CA ILE A 82 22.014 1.095 -4.280 1.00 0.00 C ATOM 1279 C ILE A 82 22.378 1.765 -5.610 1.00 0.00 C ATOM 1280 O ILE A 82 21.569 2.477 -6.195 1.00 0.00 O ATOM 1281 CB ILE A 82 22.743 1.745 -3.074 1.00 0.00 C ATOM 1282 CG1 ILE A 82 22.329 1.068 -1.743 1.00 0.00 C ATOM 1283 CG2 ILE A 82 22.450 3.257 -3.022 1.00 0.00 C ATOM 1284 CD1 ILE A 82 23.136 1.527 -0.521 1.00 0.00 C ATOM 0 H ILE A 82 23.083 -0.618 -3.728 1.00 0.00 H new ATOM 0 HA ILE A 82 20.945 1.238 -4.123 1.00 0.00 H new ATOM 0 HB ILE A 82 23.815 1.600 -3.208 1.00 0.00 H new ATOM 0 HG12 ILE A 82 21.273 1.267 -1.561 1.00 0.00 H new ATOM 0 HG13 ILE A 82 22.436 -0.011 -1.850 1.00 0.00 H new ATOM 0 HG21 ILE A 82 22.968 3.699 -2.171 1.00 0.00 H new ATOM 0 HG22 ILE A 82 22.797 3.727 -3.942 1.00 0.00 H new ATOM 0 HG23 ILE A 82 21.377 3.416 -2.916 1.00 0.00 H new ATOM 0 HD11 ILE A 82 22.781 1.004 0.367 1.00 0.00 H new ATOM 0 HD12 ILE A 82 24.191 1.303 -0.677 1.00 0.00 H new ATOM 0 HD13 ILE A 82 23.010 2.601 -0.384 1.00 0.00 H new ATOM 1296 N GLN A 83 23.570 1.494 -6.149 1.00 0.00 N ATOM 1297 CA GLN A 83 24.048 2.145 -7.379 1.00 0.00 C ATOM 1298 C GLN A 83 23.248 1.732 -8.628 1.00 0.00 C ATOM 1299 O GLN A 83 23.127 2.514 -9.570 1.00 0.00 O ATOM 1300 CB GLN A 83 25.550 1.873 -7.543 1.00 0.00 C ATOM 1301 CG GLN A 83 26.344 2.617 -6.458 1.00 0.00 C ATOM 1302 CD GLN A 83 27.817 2.221 -6.440 1.00 0.00 C ATOM 1303 OE1 GLN A 83 28.126 1.036 -5.954 1.00 0.00 O flip ATOM 1304 NE2 GLN A 83 28.701 2.963 -6.844 1.00 0.00 N flip ATOM 0 H GLN A 83 24.228 0.824 -5.752 1.00 0.00 H new ATOM 0 HA GLN A 83 23.886 3.218 -7.280 1.00 0.00 H new ATOM 0 HB2 GLN A 83 25.743 0.802 -7.476 1.00 0.00 H new ATOM 0 HB3 GLN A 83 25.880 2.195 -8.531 1.00 0.00 H new ATOM 0 HG2 GLN A 83 26.261 3.691 -6.624 1.00 0.00 H new ATOM 0 HG3 GLN A 83 25.903 2.410 -5.483 1.00 0.00 H new ATOM 0 HE21 GLN A 83 28.464 3.881 -7.221 1.00 0.00 H new ATOM 0 HE22 GLN A 83 29.675 2.664 -6.804 1.00 0.00 H new ATOM 1313 N THR A 84 22.630 0.546 -8.608 1.00 0.00 N ATOM 1314 CA THR A 84 21.673 0.108 -9.634 1.00 0.00 C ATOM 1315 C THR A 84 20.419 0.983 -9.639 1.00 0.00 C ATOM 1316 O THR A 84 20.016 1.447 -10.704 1.00 0.00 O ATOM 1317 CB THR A 84 21.291 -1.364 -9.433 1.00 0.00 C ATOM 1318 OG1 THR A 84 22.434 -2.171 -9.597 1.00 0.00 O ATOM 1319 CG2 THR A 84 20.298 -1.883 -10.459 1.00 0.00 C ATOM 0 H THR A 84 22.781 -0.145 -7.873 1.00 0.00 H new ATOM 0 HA THR A 84 22.163 0.213 -10.602 1.00 0.00 H new ATOM 0 HB THR A 84 20.852 -1.413 -8.437 1.00 0.00 H new ATOM 0 HG1 THR A 84 22.983 -2.130 -8.786 1.00 0.00 H new ATOM 0 HG21 THR A 84 20.076 -2.930 -10.253 1.00 0.00 H new ATOM 0 HG22 THR A 84 19.379 -1.299 -10.404 1.00 0.00 H new ATOM 0 HG23 THR A 84 20.726 -1.793 -11.457 1.00 0.00 H new ATOM 1327 N GLU A 85 19.810 1.275 -8.481 1.00 0.00 N ATOM 1328 CA GLU A 85 18.644 2.172 -8.460 1.00 0.00 C ATOM 1329 C GLU A 85 19.043 3.637 -8.669 1.00 0.00 C ATOM 1330 O GLU A 85 18.304 4.365 -9.320 1.00 0.00 O ATOM 1331 CB GLU A 85 17.772 1.989 -7.207 1.00 0.00 C ATOM 1332 CG GLU A 85 18.432 2.373 -5.878 1.00 0.00 C ATOM 1333 CD GLU A 85 17.371 2.648 -4.797 1.00 0.00 C ATOM 1334 OE1 GLU A 85 16.924 3.817 -4.675 1.00 0.00 O ATOM 1335 OE2 GLU A 85 16.986 1.707 -4.060 1.00 0.00 O ATOM 0 H GLU A 85 20.094 0.915 -7.570 1.00 0.00 H new ATOM 0 HA GLU A 85 18.024 1.882 -9.308 1.00 0.00 H new ATOM 0 HB2 GLU A 85 16.866 2.583 -7.327 1.00 0.00 H new ATOM 0 HB3 GLU A 85 17.463 0.945 -7.150 1.00 0.00 H new ATOM 0 HG2 GLU A 85 19.092 1.570 -5.550 1.00 0.00 H new ATOM 0 HG3 GLU A 85 19.052 3.258 -6.018 1.00 0.00 H new ATOM 1342 N GLU A 86 20.226 4.076 -8.230 1.00 0.00 N ATOM 1343 CA GLU A 86 20.669 5.471 -8.382 1.00 0.00 C ATOM 1344 C GLU A 86 20.844 5.906 -9.842 1.00 0.00 C ATOM 1345 O GLU A 86 20.639 7.079 -10.158 1.00 0.00 O ATOM 1346 CB GLU A 86 21.953 5.708 -7.579 1.00 0.00 C ATOM 1347 CG GLU A 86 21.663 5.735 -6.076 1.00 0.00 C ATOM 1348 CD GLU A 86 21.096 7.099 -5.638 1.00 0.00 C ATOM 1349 OE1 GLU A 86 19.877 7.337 -5.828 1.00 0.00 O ATOM 1350 OE2 GLU A 86 21.865 7.942 -5.114 1.00 0.00 O ATOM 0 H GLU A 86 20.905 3.478 -7.759 1.00 0.00 H new ATOM 0 HA GLU A 86 19.870 6.097 -7.983 1.00 0.00 H new ATOM 0 HB2 GLU A 86 22.675 4.921 -7.800 1.00 0.00 H new ATOM 0 HB3 GLU A 86 22.407 6.651 -7.882 1.00 0.00 H new ATOM 0 HG2 GLU A 86 20.953 4.947 -5.827 1.00 0.00 H new ATOM 0 HG3 GLU A 86 22.579 5.525 -5.523 1.00 0.00 H new ATOM 1357 N ALA A 87 21.114 4.962 -10.752 1.00 0.00 N ATOM 1358 CA ALA A 87 21.020 5.201 -12.190 1.00 0.00 C ATOM 1359 C ALA A 87 19.576 5.503 -12.622 1.00 0.00 C ATOM 1360 O ALA A 87 19.327 6.463 -13.341 1.00 0.00 O ATOM 1361 CB ALA A 87 21.554 3.966 -12.921 1.00 0.00 C ATOM 0 H ALA A 87 21.403 4.014 -10.509 1.00 0.00 H new ATOM 0 HA ALA A 87 21.616 6.077 -12.446 1.00 0.00 H new ATOM 0 HB1 ALA A 87 21.492 4.125 -13.998 1.00 0.00 H new ATOM 0 HB2 ALA A 87 22.593 3.797 -12.638 1.00 0.00 H new ATOM 0 HB3 ALA A 87 20.958 3.095 -12.648 1.00 0.00 H new ATOM 1367 N LEU A 88 18.604 4.705 -12.164 1.00 0.00 N ATOM 1368 CA LEU A 88 17.196 4.784 -12.585 1.00 0.00 C ATOM 1369 C LEU A 88 16.418 5.878 -11.841 1.00 0.00 C ATOM 1370 O LEU A 88 15.425 6.394 -12.358 1.00 0.00 O ATOM 1371 CB LEU A 88 16.530 3.407 -12.400 1.00 0.00 C ATOM 1372 CG LEU A 88 17.263 2.189 -12.990 1.00 0.00 C ATOM 1373 CD1 LEU A 88 16.386 0.965 -12.823 1.00 0.00 C ATOM 1374 CD2 LEU A 88 17.563 2.353 -14.474 1.00 0.00 C ATOM 0 H LEU A 88 18.775 3.971 -11.477 1.00 0.00 H new ATOM 0 HA LEU A 88 17.175 5.062 -13.639 1.00 0.00 H new ATOM 0 HB2 LEU A 88 16.396 3.237 -11.332 1.00 0.00 H new ATOM 0 HB3 LEU A 88 15.535 3.450 -12.843 1.00 0.00 H new ATOM 0 HG LEU A 88 18.210 2.088 -12.459 1.00 0.00 H new ATOM 0 HD11 LEU A 88 16.894 0.094 -13.237 1.00 0.00 H new ATOM 0 HD12 LEU A 88 16.189 0.800 -11.764 1.00 0.00 H new ATOM 0 HD13 LEU A 88 15.443 1.119 -13.348 1.00 0.00 H new ATOM 0 HD21 LEU A 88 18.081 1.467 -14.841 1.00 0.00 H new ATOM 0 HD22 LEU A 88 16.629 2.481 -15.022 1.00 0.00 H new ATOM 0 HD23 LEU A 88 18.194 3.229 -14.623 1.00 0.00 H new ATOM 1386 N ASN A 89 16.916 6.297 -10.678 1.00 0.00 N ATOM 1387 CA ASN A 89 16.343 7.303 -9.787 1.00 0.00 C ATOM 1388 C ASN A 89 16.285 8.683 -10.440 1.00 0.00 C ATOM 1389 O ASN A 89 15.419 9.484 -10.110 1.00 0.00 O ATOM 1390 CB ASN A 89 17.147 7.312 -8.473 1.00 0.00 C ATOM 1391 CG ASN A 89 16.663 6.295 -7.442 1.00 0.00 C ATOM 1392 OD1 ASN A 89 15.564 5.760 -7.501 1.00 0.00 O ATOM 1393 ND2 ASN A 89 17.452 6.013 -6.439 1.00 0.00 N ATOM 0 H ASN A 89 17.788 5.917 -10.310 1.00 0.00 H new ATOM 0 HA ASN A 89 15.307 7.042 -9.569 1.00 0.00 H new ATOM 0 HB2 ASN A 89 18.195 7.115 -8.699 1.00 0.00 H new ATOM 0 HB3 ASN A 89 17.098 8.309 -8.036 1.00 0.00 H new ATOM 0 HD21 ASN A 89 17.148 5.356 -5.720 1.00 0.00 H new ATOM 0 HD22 ASN A 89 18.371 6.450 -6.375 1.00 0.00 H new ATOM 1400 N ARG A 90 17.163 8.924 -11.418 1.00 0.00 N ATOM 1401 CA ARG A 90 17.223 10.139 -12.252 1.00 0.00 C ATOM 1402 C ARG A 90 16.882 9.940 -13.744 1.00 0.00 C ATOM 1403 O ARG A 90 16.985 10.878 -14.530 1.00 0.00 O ATOM 1404 CB ARG A 90 18.540 10.844 -11.943 1.00 0.00 C ATOM 1405 CG ARG A 90 19.804 10.154 -12.462 1.00 0.00 C ATOM 1406 CD ARG A 90 20.975 10.922 -11.853 1.00 0.00 C ATOM 1407 NE ARG A 90 22.273 10.293 -12.171 1.00 0.00 N ATOM 1408 CZ ARG A 90 23.059 10.537 -13.207 1.00 0.00 C ATOM 1409 NH1 ARG A 90 22.743 11.395 -14.136 1.00 0.00 N ATOM 1410 NH2 ARG A 90 24.194 9.910 -13.329 1.00 0.00 N ATOM 0 H ARG A 90 17.887 8.249 -11.665 1.00 0.00 H new ATOM 0 HA ARG A 90 16.405 10.806 -11.982 1.00 0.00 H new ATOM 0 HB2 ARG A 90 18.499 11.849 -12.363 1.00 0.00 H new ATOM 0 HB3 ARG A 90 18.627 10.953 -10.862 1.00 0.00 H new ATOM 0 HG2 ARG A 90 19.827 9.105 -12.165 1.00 0.00 H new ATOM 0 HG3 ARG A 90 19.844 10.178 -13.551 1.00 0.00 H new ATOM 0 HD2 ARG A 90 20.968 11.947 -12.223 1.00 0.00 H new ATOM 0 HD3 ARG A 90 20.852 10.973 -10.771 1.00 0.00 H new ATOM 0 HE ARG A 90 22.603 9.586 -11.514 1.00 0.00 H new ATOM 0 HH11 ARG A 90 21.862 11.906 -14.080 1.00 0.00 H new ATOM 0 HH12 ARG A 90 23.376 11.555 -14.919 1.00 0.00 H new ATOM 0 HH21 ARG A 90 24.479 9.229 -12.625 1.00 0.00 H new ATOM 0 HH22 ARG A 90 24.798 10.100 -14.129 1.00 0.00 H new ATOM 1424 N ARG A 91 16.423 8.731 -14.110 1.00 0.00 N ATOM 1425 CA ARG A 91 15.844 8.380 -15.433 1.00 0.00 C ATOM 1426 C ARG A 91 14.314 8.408 -15.423 1.00 0.00 C ATOM 1427 O ARG A 91 13.697 9.075 -16.249 1.00 0.00 O ATOM 1428 CB ARG A 91 16.311 6.979 -15.869 1.00 0.00 C ATOM 1429 CG ARG A 91 17.805 6.884 -16.191 1.00 0.00 C ATOM 1430 CD ARG A 91 18.231 5.410 -16.364 1.00 0.00 C ATOM 1431 NE ARG A 91 18.780 5.159 -17.715 1.00 0.00 N ATOM 1432 CZ ARG A 91 18.171 4.658 -18.779 1.00 0.00 C ATOM 1433 NH1 ARG A 91 16.927 4.272 -18.764 1.00 0.00 N ATOM 1434 NH2 ARG A 91 18.820 4.536 -19.900 1.00 0.00 N ATOM 0 H ARG A 91 16.443 7.935 -13.472 1.00 0.00 H new ATOM 0 HA ARG A 91 16.197 9.133 -16.138 1.00 0.00 H new ATOM 0 HB2 ARG A 91 16.076 6.268 -15.077 1.00 0.00 H new ATOM 0 HB3 ARG A 91 15.742 6.676 -16.748 1.00 0.00 H new ATOM 0 HG2 ARG A 91 18.022 7.440 -17.103 1.00 0.00 H new ATOM 0 HG3 ARG A 91 18.385 7.344 -15.391 1.00 0.00 H new ATOM 0 HD2 ARG A 91 18.979 5.156 -15.613 1.00 0.00 H new ATOM 0 HD3 ARG A 91 17.373 4.760 -16.192 1.00 0.00 H new ATOM 0 HE ARG A 91 19.761 5.405 -17.844 1.00 0.00 H new ATOM 0 HH11 ARG A 91 16.379 4.350 -17.907 1.00 0.00 H new ATOM 0 HH12 ARG A 91 16.501 3.892 -19.609 1.00 0.00 H new ATOM 0 HH21 ARG A 91 19.796 4.826 -19.958 1.00 0.00 H new ATOM 0 HH22 ARG A 91 18.353 4.150 -20.721 1.00 0.00 H new ATOM 1448 N GLN A 92 13.720 7.640 -14.499 1.00 0.00 N ATOM 1449 CA GLN A 92 12.280 7.323 -14.486 1.00 0.00 C ATOM 1450 C GLN A 92 11.628 7.366 -13.101 1.00 0.00 C ATOM 1451 O GLN A 92 10.520 7.878 -12.962 1.00 0.00 O ATOM 1452 CB GLN A 92 12.043 5.960 -15.163 1.00 0.00 C ATOM 1453 CG GLN A 92 12.880 4.778 -14.631 1.00 0.00 C ATOM 1454 CD GLN A 92 12.392 3.442 -15.192 1.00 0.00 C ATOM 1455 OE1 GLN A 92 12.917 2.917 -16.163 1.00 0.00 O ATOM 1456 NE2 GLN A 92 11.369 2.851 -14.605 1.00 0.00 N ATOM 0 H GLN A 92 14.232 7.214 -13.727 1.00 0.00 H new ATOM 0 HA GLN A 92 11.789 8.116 -15.050 1.00 0.00 H new ATOM 0 HB2 GLN A 92 10.988 5.706 -15.060 1.00 0.00 H new ATOM 0 HB3 GLN A 92 12.243 6.068 -16.229 1.00 0.00 H new ATOM 0 HG2 GLN A 92 13.927 4.924 -14.898 1.00 0.00 H new ATOM 0 HG3 GLN A 92 12.828 4.756 -13.542 1.00 0.00 H new ATOM 0 HE21 GLN A 92 10.926 3.284 -13.794 1.00 0.00 H new ATOM 0 HE22 GLN A 92 11.021 1.961 -14.962 1.00 0.00 H new ATOM 1465 N ILE A 93 12.323 6.894 -12.056 1.00 0.00 N ATOM 1466 CA ILE A 93 11.753 6.851 -10.690 1.00 0.00 C ATOM 1467 C ILE A 93 11.605 8.277 -10.121 1.00 0.00 C ATOM 1468 O ILE A 93 10.770 8.518 -9.258 1.00 0.00 O ATOM 1469 CB ILE A 93 12.529 5.879 -9.751 1.00 0.00 C ATOM 1470 CG1 ILE A 93 12.972 4.572 -10.466 1.00 0.00 C ATOM 1471 CG2 ILE A 93 11.640 5.541 -8.542 1.00 0.00 C ATOM 1472 CD1 ILE A 93 13.687 3.529 -9.593 1.00 0.00 C ATOM 0 H ILE A 93 13.276 6.537 -12.124 1.00 0.00 H new ATOM 0 HA ILE A 93 10.749 6.430 -10.752 1.00 0.00 H new ATOM 0 HB ILE A 93 13.441 6.383 -9.432 1.00 0.00 H new ATOM 0 HG12 ILE A 93 12.090 4.105 -10.904 1.00 0.00 H new ATOM 0 HG13 ILE A 93 13.633 4.840 -11.290 1.00 0.00 H new ATOM 0 HG21 ILE A 93 12.173 4.861 -7.877 1.00 0.00 H new ATOM 0 HG22 ILE A 93 11.395 6.456 -8.004 1.00 0.00 H new ATOM 0 HG23 ILE A 93 10.722 5.066 -8.887 1.00 0.00 H new ATOM 0 HD11 ILE A 93 13.947 2.662 -10.201 1.00 0.00 H new ATOM 0 HD12 ILE A 93 14.595 3.965 -9.175 1.00 0.00 H new ATOM 0 HD13 ILE A 93 13.027 3.219 -8.783 1.00 0.00 H new