USER MOD reduce.3.24.130724 H: found=0, std=0, add=883, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 883 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 43 THR OG1 : rot -91:sc= 1.21 USER MOD Set 1.2: A 46 THR OG1 : rot 122:sc= 1.28 USER MOD Single : A 1 MET CE :methyl -166:sc= -0.15 (180deg=-0.799) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 164:sc= -0.0518 (180deg=-0.31) USER MOD Single : A 4 ASN :FLIP amide:sc= 0 F(o=-0.8,f=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN :FLIP amide:sc= -0.0252 F(o=-1.2!,f=-0.025) USER MOD Single : A 18 MET CE :methyl 165:sc= -0.289 (180deg=-0.806) USER MOD Single : A 22 SER OG : rot 79:sc= 0.666 USER MOD Single : A 23 GLN :FLIP amide:sc= -0.463 F(o=-3.3!,f=-0.46) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 73:sc= 1.24 USER MOD Single : A 29 GLN : amide:sc= -1.06 K(o=-1.1,f=-4.4!) USER MOD Single : A 32 THR OG1 : rot -58:sc= -0.451 USER MOD Single : A 34 CYS SG : rot 80:sc= 1.13 USER MOD Single : A 35 SER OG : rot 83:sc= 1.21 USER MOD Single : A 39 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0556) USER MOD Single : A 42 CYS SG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.0964 X(o=-0.096,f=-0.18) USER MOD Single : A 54 HIS : no HE2:sc= 1.06 K(o=1.1,f=-5.7!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= 0.96 K(o=0.96,f=-5.3!) USER MOD Single : A 86 SER OG : rot 180:sc= -0.0238 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 SER OG : rot 49:sc= 0.0866 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 165:sc= -0.0785 (180deg=-0.358) USER MOD Single : A 107 LYS NZ :NH3+ 172:sc=-0.00867 (180deg=-0.116) USER MOD Single : A 108 LYS NZ :NH3+ -171:sc=-0.00368 (180deg=-0.098) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.814 -15.193 28.803 1.00 0.00 N ATOM 2 CA MET A 1 8.974 -16.062 28.504 1.00 0.00 C ATOM 3 C MET A 1 9.435 -15.839 27.069 1.00 0.00 C ATOM 4 O MET A 1 10.260 -14.960 26.815 1.00 0.00 O ATOM 5 CB MET A 1 8.605 -17.530 28.721 1.00 0.00 C ATOM 6 CG MET A 1 9.782 -18.490 28.642 1.00 0.00 C ATOM 7 SD MET A 1 9.260 -20.218 28.660 1.00 0.00 S ATOM 8 CE MET A 1 8.173 -20.226 30.087 1.00 0.00 C ATOM 0 H1 MET A 1 7.506 -15.351 29.784 1.00 0.00 H new ATOM 0 H2 MET A 1 8.086 -14.197 28.682 1.00 0.00 H new ATOM 0 H3 MET A 1 7.034 -15.420 28.154 1.00 0.00 H new ATOM 0 HA MET A 1 9.790 -15.806 29.179 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.132 -17.633 29.698 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.864 -17.820 27.976 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.348 -18.293 27.731 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.454 -18.307 29.481 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.967 -21.255 30.382 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.653 -19.701 30.913 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.237 -19.727 29.835 1.00 0.00 H new ATOM 20 N THR A 2 8.863 -16.617 26.141 1.00 0.00 N ATOM 21 CA THR A 2 9.193 -16.542 24.721 1.00 0.00 C ATOM 22 C THR A 2 10.704 -16.489 24.489 1.00 0.00 C ATOM 23 O THR A 2 11.274 -15.424 24.250 1.00 0.00 O ATOM 24 CB THR A 2 8.521 -15.326 24.053 1.00 0.00 C ATOM 25 OG1 THR A 2 7.117 -15.321 24.359 1.00 0.00 O ATOM 26 CG2 THR A 2 8.711 -15.361 22.543 1.00 0.00 C ATOM 0 H THR A 2 8.155 -17.318 26.360 1.00 0.00 H new ATOM 0 HA THR A 2 8.808 -17.453 24.263 1.00 0.00 H new ATOM 0 HB THR A 2 8.988 -14.420 24.440 1.00 0.00 H new ATOM 0 HG1 THR A 2 6.692 -14.546 23.935 1.00 0.00 H new ATOM 0 HG21 THR A 2 8.228 -14.493 22.095 1.00 0.00 H new ATOM 0 HG22 THR A 2 9.776 -15.344 22.310 1.00 0.00 H new ATOM 0 HG23 THR A 2 8.266 -16.271 22.141 1.00 0.00 H new ATOM 34 N LYS A 3 11.357 -17.635 24.580 1.00 0.00 N ATOM 35 CA LYS A 3 12.793 -17.686 24.363 1.00 0.00 C ATOM 36 C LYS A 3 13.093 -18.135 22.940 1.00 0.00 C ATOM 37 O LYS A 3 14.244 -18.390 22.578 1.00 0.00 O ATOM 38 CB LYS A 3 13.468 -18.595 25.387 1.00 0.00 C ATOM 39 CG LYS A 3 14.706 -17.961 25.999 1.00 0.00 C ATOM 40 CD LYS A 3 15.300 -18.815 27.105 1.00 0.00 C ATOM 41 CE LYS A 3 16.475 -18.111 27.770 1.00 0.00 C ATOM 42 NZ LYS A 3 16.061 -16.858 28.455 1.00 0.00 N ATOM 0 H LYS A 3 10.923 -18.532 24.800 1.00 0.00 H new ATOM 0 HA LYS A 3 13.202 -16.684 24.497 1.00 0.00 H new ATOM 0 HB2 LYS A 3 12.758 -18.836 26.178 1.00 0.00 H new ATOM 0 HB3 LYS A 3 13.743 -19.535 24.908 1.00 0.00 H new ATOM 0 HG2 LYS A 3 15.454 -17.804 25.222 1.00 0.00 H new ATOM 0 HG3 LYS A 3 14.450 -16.979 26.398 1.00 0.00 H new ATOM 0 HD2 LYS A 3 14.535 -19.035 27.850 1.00 0.00 H new ATOM 0 HD3 LYS A 3 15.629 -19.770 26.695 1.00 0.00 H new ATOM 0 HE2 LYS A 3 16.938 -18.783 28.493 1.00 0.00 H new ATOM 0 HE3 LYS A 3 17.231 -17.881 27.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 16.810 -16.557 29.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 15.899 -16.113 27.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 15.183 -17.027 28.987 1.00 0.00 H new ATOM 56 N ASN A 4 12.040 -18.235 22.139 1.00 0.00 N ATOM 57 CA ASN A 4 12.189 -18.435 20.707 1.00 0.00 C ATOM 58 C ASN A 4 12.584 -17.105 20.079 1.00 0.00 C ATOM 59 O ASN A 4 11.728 -16.310 19.689 1.00 0.00 O ATOM 60 CB ASN A 4 10.889 -18.949 20.077 1.00 0.00 C ATOM 61 CG ASN A 4 11.027 -19.215 18.584 1.00 0.00 C ATOM 62 OD1 ASN A 4 12.177 -19.727 18.167 1.00 0.00 O flip ATOM 63 ND2 ASN A 4 10.094 -18.984 17.812 1.00 0.00 N flip ATOM 0 H ASN A 4 11.073 -18.181 22.459 1.00 0.00 H new ATOM 0 HA ASN A 4 12.958 -19.187 20.527 1.00 0.00 H new ATOM 0 HB2 ASN A 4 10.584 -19.867 20.579 1.00 0.00 H new ATOM 0 HB3 ASN A 4 10.097 -18.218 20.240 1.00 0.00 H new ATOM 0 HD21 ASN A 4 9.223 -18.590 18.168 1.00 0.00 H new ATOM 0 HD22 ASN A 4 10.193 -19.187 16.817 1.00 0.00 H new ATOM 70 N THR A 5 13.879 -16.854 20.021 1.00 0.00 N ATOM 71 CA THR A 5 14.378 -15.548 19.635 1.00 0.00 C ATOM 72 C THR A 5 14.569 -15.429 18.128 1.00 0.00 C ATOM 73 O THR A 5 15.501 -15.997 17.548 1.00 0.00 O ATOM 74 CB THR A 5 15.700 -15.237 20.357 1.00 0.00 C ATOM 75 OG1 THR A 5 15.512 -15.364 21.774 1.00 0.00 O ATOM 76 CG2 THR A 5 16.190 -13.829 20.031 1.00 0.00 C ATOM 0 H THR A 5 14.604 -17.538 20.236 1.00 0.00 H new ATOM 0 HA THR A 5 13.625 -14.819 19.933 1.00 0.00 H new ATOM 0 HB THR A 5 16.453 -15.947 20.015 1.00 0.00 H new ATOM 0 HG1 THR A 5 16.354 -15.168 22.235 1.00 0.00 H new ATOM 0 HG21 THR A 5 17.126 -13.639 20.556 1.00 0.00 H new ATOM 0 HG22 THR A 5 16.352 -13.740 18.957 1.00 0.00 H new ATOM 0 HG23 THR A 5 15.442 -13.101 20.347 1.00 0.00 H new ATOM 84 N ARG A 6 13.658 -14.706 17.503 1.00 0.00 N ATOM 85 CA ARG A 6 13.783 -14.342 16.106 1.00 0.00 C ATOM 86 C ARG A 6 13.668 -12.832 15.980 1.00 0.00 C ATOM 87 O ARG A 6 12.879 -12.212 16.691 1.00 0.00 O ATOM 88 CB ARG A 6 12.708 -15.023 15.255 1.00 0.00 C ATOM 89 CG ARG A 6 12.803 -14.672 13.779 1.00 0.00 C ATOM 90 CD ARG A 6 11.772 -15.414 12.945 1.00 0.00 C ATOM 91 NE ARG A 6 11.911 -16.863 13.064 1.00 0.00 N ATOM 92 CZ ARG A 6 12.577 -17.624 12.193 1.00 0.00 C ATOM 93 NH1 ARG A 6 13.194 -17.071 11.155 1.00 0.00 N ATOM 94 NH2 ARG A 6 12.623 -18.939 12.350 1.00 0.00 N ATOM 0 H ARG A 6 12.811 -14.355 17.951 1.00 0.00 H new ATOM 0 HA ARG A 6 14.754 -14.676 15.741 1.00 0.00 H new ATOM 0 HB2 ARG A 6 12.792 -16.104 15.371 1.00 0.00 H new ATOM 0 HB3 ARG A 6 11.724 -14.738 15.627 1.00 0.00 H new ATOM 0 HG2 ARG A 6 12.665 -13.598 13.653 1.00 0.00 H new ATOM 0 HG3 ARG A 6 13.802 -14.910 13.414 1.00 0.00 H new ATOM 0 HD2 ARG A 6 10.771 -15.119 13.260 1.00 0.00 H new ATOM 0 HD3 ARG A 6 11.876 -15.125 11.899 1.00 0.00 H new ATOM 0 HE ARG A 6 11.472 -17.322 13.862 1.00 0.00 H new ATOM 0 HH11 ARG A 6 13.160 -16.060 11.021 1.00 0.00 H new ATOM 0 HH12 ARG A 6 13.702 -17.657 10.492 1.00 0.00 H new ATOM 0 HH21 ARG A 6 12.148 -19.375 13.140 1.00 0.00 H new ATOM 0 HH22 ARG A 6 13.134 -19.515 11.681 1.00 0.00 H new ATOM 108 N PHE A 7 14.467 -12.244 15.101 1.00 0.00 N ATOM 109 CA PHE A 7 14.434 -10.804 14.896 1.00 0.00 C ATOM 110 C PHE A 7 13.122 -10.365 14.245 1.00 0.00 C ATOM 111 O PHE A 7 12.929 -10.494 13.033 1.00 0.00 O ATOM 112 CB PHE A 7 15.645 -10.338 14.071 1.00 0.00 C ATOM 113 CG PHE A 7 16.080 -11.300 12.997 1.00 0.00 C ATOM 114 CD1 PHE A 7 15.503 -11.272 11.738 1.00 0.00 C ATOM 115 CD2 PHE A 7 17.071 -12.232 13.253 1.00 0.00 C ATOM 116 CE1 PHE A 7 15.908 -12.154 10.755 1.00 0.00 C ATOM 117 CE2 PHE A 7 17.480 -13.118 12.276 1.00 0.00 C ATOM 118 CZ PHE A 7 16.896 -13.079 11.026 1.00 0.00 C ATOM 0 H PHE A 7 15.143 -12.740 14.521 1.00 0.00 H new ATOM 0 HA PHE A 7 14.491 -10.328 15.875 1.00 0.00 H new ATOM 0 HB2 PHE A 7 15.406 -9.381 13.608 1.00 0.00 H new ATOM 0 HB3 PHE A 7 16.483 -10.165 14.746 1.00 0.00 H new ATOM 0 HD1 PHE A 7 14.727 -10.552 11.522 1.00 0.00 H new ATOM 0 HD2 PHE A 7 17.530 -12.267 14.230 1.00 0.00 H new ATOM 0 HE1 PHE A 7 15.452 -12.120 9.776 1.00 0.00 H new ATOM 0 HE2 PHE A 7 18.255 -13.840 12.489 1.00 0.00 H new ATOM 0 HZ PHE A 7 17.212 -13.772 10.260 1.00 0.00 H new ATOM 128 N SER A 8 12.210 -9.879 15.077 1.00 0.00 N ATOM 129 CA SER A 8 10.930 -9.367 14.619 1.00 0.00 C ATOM 130 C SER A 8 11.130 -8.102 13.780 1.00 0.00 C ATOM 131 O SER A 8 12.169 -7.448 13.884 1.00 0.00 O ATOM 132 CB SER A 8 10.052 -9.065 15.837 1.00 0.00 C ATOM 133 OG SER A 8 10.090 -10.144 16.758 1.00 0.00 O ATOM 0 H SER A 8 12.339 -9.830 16.088 1.00 0.00 H new ATOM 0 HA SER A 8 10.442 -10.114 13.993 1.00 0.00 H new ATOM 0 HB2 SER A 8 10.396 -8.152 16.323 1.00 0.00 H new ATOM 0 HB3 SER A 8 9.025 -8.888 15.517 1.00 0.00 H new ATOM 0 HG SER A 8 9.525 -9.934 17.531 1.00 0.00 H new ATOM 139 N PRO A 9 10.147 -7.752 12.929 1.00 0.00 N ATOM 140 CA PRO A 9 10.209 -6.555 12.077 1.00 0.00 C ATOM 141 C PRO A 9 10.629 -5.297 12.836 1.00 0.00 C ATOM 142 O PRO A 9 11.548 -4.592 12.414 1.00 0.00 O ATOM 143 CB PRO A 9 8.777 -6.419 11.564 1.00 0.00 C ATOM 144 CG PRO A 9 8.256 -7.811 11.549 1.00 0.00 C ATOM 145 CD PRO A 9 8.898 -8.508 12.716 1.00 0.00 C ATOM 0 HA PRO A 9 10.957 -6.659 11.291 1.00 0.00 H new ATOM 0 HB2 PRO A 9 8.181 -5.779 12.214 1.00 0.00 H new ATOM 0 HB3 PRO A 9 8.752 -5.975 10.569 1.00 0.00 H new ATOM 0 HG2 PRO A 9 7.170 -7.822 11.638 1.00 0.00 H new ATOM 0 HG3 PRO A 9 8.504 -8.310 10.612 1.00 0.00 H new ATOM 0 HD2 PRO A 9 8.259 -8.483 13.599 1.00 0.00 H new ATOM 0 HD3 PRO A 9 9.097 -9.557 12.496 1.00 0.00 H new ATOM 153 N GLU A 10 9.970 -5.024 13.962 1.00 0.00 N ATOM 154 CA GLU A 10 10.289 -3.846 14.771 1.00 0.00 C ATOM 155 C GLU A 10 11.752 -3.860 15.197 1.00 0.00 C ATOM 156 O GLU A 10 12.403 -2.821 15.238 1.00 0.00 O ATOM 157 CB GLU A 10 9.413 -3.762 16.026 1.00 0.00 C ATOM 158 CG GLU A 10 7.923 -3.889 15.764 1.00 0.00 C ATOM 159 CD GLU A 10 7.454 -5.330 15.778 1.00 0.00 C ATOM 160 OE1 GLU A 10 7.582 -6.015 14.744 1.00 0.00 O ATOM 161 OE2 GLU A 10 6.958 -5.785 16.830 1.00 0.00 O ATOM 0 H GLU A 10 9.215 -5.600 14.334 1.00 0.00 H new ATOM 0 HA GLU A 10 10.093 -2.975 14.145 1.00 0.00 H new ATOM 0 HB2 GLU A 10 9.716 -4.548 16.718 1.00 0.00 H new ATOM 0 HB3 GLU A 10 9.602 -2.810 16.522 1.00 0.00 H new ATOM 0 HG2 GLU A 10 7.375 -3.324 16.518 1.00 0.00 H new ATOM 0 HG3 GLU A 10 7.688 -3.443 14.798 1.00 0.00 H new ATOM 168 N VAL A 11 12.257 -5.049 15.505 1.00 0.00 N ATOM 169 CA VAL A 11 13.641 -5.217 15.930 1.00 0.00 C ATOM 170 C VAL A 11 14.596 -4.814 14.812 1.00 0.00 C ATOM 171 O VAL A 11 15.584 -4.114 15.042 1.00 0.00 O ATOM 172 CB VAL A 11 13.921 -6.680 16.344 1.00 0.00 C ATOM 173 CG1 VAL A 11 15.380 -6.874 16.723 1.00 0.00 C ATOM 174 CG2 VAL A 11 13.015 -7.091 17.491 1.00 0.00 C ATOM 0 H VAL A 11 11.723 -5.917 15.468 1.00 0.00 H new ATOM 0 HA VAL A 11 13.803 -4.571 16.793 1.00 0.00 H new ATOM 0 HB VAL A 11 13.709 -7.318 15.486 1.00 0.00 H new ATOM 0 HG11 VAL A 11 15.547 -7.912 17.010 1.00 0.00 H new ATOM 0 HG12 VAL A 11 16.013 -6.627 15.871 1.00 0.00 H new ATOM 0 HG13 VAL A 11 15.628 -6.222 17.561 1.00 0.00 H new ATOM 0 HG21 VAL A 11 13.226 -8.124 17.769 1.00 0.00 H new ATOM 0 HG22 VAL A 11 13.194 -6.441 18.347 1.00 0.00 H new ATOM 0 HG23 VAL A 11 11.974 -7.004 17.181 1.00 0.00 H new ATOM 184 N ARG A 12 14.278 -5.247 13.596 1.00 0.00 N ATOM 185 CA ARG A 12 15.103 -4.947 12.432 1.00 0.00 C ATOM 186 C ARG A 12 15.109 -3.445 12.164 1.00 0.00 C ATOM 187 O ARG A 12 16.165 -2.843 11.959 1.00 0.00 O ATOM 188 CB ARG A 12 14.581 -5.698 11.201 1.00 0.00 C ATOM 189 CG ARG A 12 14.326 -7.173 11.460 1.00 0.00 C ATOM 190 CD ARG A 12 13.720 -7.859 10.249 1.00 0.00 C ATOM 191 NE ARG A 12 13.061 -9.111 10.615 1.00 0.00 N ATOM 192 CZ ARG A 12 12.217 -9.772 9.825 1.00 0.00 C ATOM 193 NH1 ARG A 12 12.005 -9.370 8.576 1.00 0.00 N ATOM 194 NH2 ARG A 12 11.601 -10.856 10.281 1.00 0.00 N ATOM 0 H ARG A 12 13.452 -5.809 13.391 1.00 0.00 H new ATOM 0 HA ARG A 12 16.123 -5.274 12.635 1.00 0.00 H new ATOM 0 HB2 ARG A 12 13.656 -5.230 10.864 1.00 0.00 H new ATOM 0 HB3 ARG A 12 15.303 -5.598 10.390 1.00 0.00 H new ATOM 0 HG2 ARG A 12 15.263 -7.663 11.725 1.00 0.00 H new ATOM 0 HG3 ARG A 12 13.656 -7.282 12.313 1.00 0.00 H new ATOM 0 HD2 ARG A 12 12.999 -7.193 9.775 1.00 0.00 H new ATOM 0 HD3 ARG A 12 14.500 -8.059 9.515 1.00 0.00 H new ATOM 0 HE ARG A 12 13.260 -9.504 11.535 1.00 0.00 H new ATOM 0 HH11 ARG A 12 12.491 -8.549 8.215 1.00 0.00 H new ATOM 0 HH12 ARG A 12 11.357 -9.883 7.978 1.00 0.00 H new ATOM 0 HH21 ARG A 12 11.775 -11.179 11.233 1.00 0.00 H new ATOM 0 HH22 ARG A 12 10.954 -11.366 9.680 1.00 0.00 H new ATOM 208 N GLN A 13 13.917 -2.843 12.188 1.00 0.00 N ATOM 209 CA GLN A 13 13.772 -1.405 11.984 1.00 0.00 C ATOM 210 C GLN A 13 14.493 -0.635 13.083 1.00 0.00 C ATOM 211 O GLN A 13 15.159 0.370 12.817 1.00 0.00 O ATOM 212 CB GLN A 13 12.293 -1.007 11.972 1.00 0.00 C ATOM 213 CG GLN A 13 11.461 -1.743 10.934 1.00 0.00 C ATOM 214 CD GLN A 13 10.016 -1.286 10.927 1.00 0.00 C ATOM 215 OE1 GLN A 13 9.801 -0.017 11.231 1.00 0.00 O flip ATOM 216 NE2 GLN A 13 9.102 -2.065 10.643 1.00 0.00 N flip ATOM 0 H GLN A 13 13.037 -3.334 12.348 1.00 0.00 H new ATOM 0 HA GLN A 13 14.216 -1.157 11.020 1.00 0.00 H new ATOM 0 HB2 GLN A 13 11.870 -1.192 12.959 1.00 0.00 H new ATOM 0 HB3 GLN A 13 12.218 0.065 11.789 1.00 0.00 H new ATOM 0 HG2 GLN A 13 11.894 -1.586 9.946 1.00 0.00 H new ATOM 0 HG3 GLN A 13 11.500 -2.814 11.133 1.00 0.00 H new ATOM 0 HE21 GLN A 13 9.312 -3.037 10.415 1.00 0.00 H new ATOM 0 HE22 GLN A 13 8.136 -1.737 10.637 1.00 0.00 H new ATOM 225 N ARG A 14 14.353 -1.123 14.314 1.00 0.00 N ATOM 226 CA ARG A 14 14.996 -0.516 15.473 1.00 0.00 C ATOM 227 C ARG A 14 16.501 -0.444 15.265 1.00 0.00 C ATOM 228 O ARG A 14 17.105 0.618 15.408 1.00 0.00 O ATOM 229 CB ARG A 14 14.699 -1.332 16.737 1.00 0.00 C ATOM 230 CG ARG A 14 15.029 -0.610 18.035 1.00 0.00 C ATOM 231 CD ARG A 14 13.936 0.376 18.407 1.00 0.00 C ATOM 232 NE ARG A 14 12.673 -0.306 18.691 1.00 0.00 N ATOM 233 CZ ARG A 14 11.501 0.022 18.149 1.00 0.00 C ATOM 234 NH1 ARG A 14 11.409 1.055 17.318 1.00 0.00 N ATOM 235 NH2 ARG A 14 10.421 -0.682 18.456 1.00 0.00 N ATOM 0 H ARG A 14 13.793 -1.947 14.534 1.00 0.00 H new ATOM 0 HA ARG A 14 14.599 0.492 15.593 1.00 0.00 H new ATOM 0 HB2 ARG A 14 13.643 -1.602 16.742 1.00 0.00 H new ATOM 0 HB3 ARG A 14 15.266 -2.262 16.697 1.00 0.00 H new ATOM 0 HG2 ARG A 14 15.155 -1.337 18.837 1.00 0.00 H new ATOM 0 HG3 ARG A 14 15.978 -0.083 17.930 1.00 0.00 H new ATOM 0 HD2 ARG A 14 14.245 0.951 19.280 1.00 0.00 H new ATOM 0 HD3 ARG A 14 13.792 1.086 17.593 1.00 0.00 H new ATOM 0 HE ARG A 14 12.691 -1.085 19.349 1.00 0.00 H new ATOM 0 HH11 ARG A 14 12.239 1.603 17.091 1.00 0.00 H new ATOM 0 HH12 ARG A 14 10.508 1.300 16.907 1.00 0.00 H new ATOM 0 HH21 ARG A 14 10.491 -1.468 19.103 1.00 0.00 H new ATOM 0 HH22 ARG A 14 9.520 -0.438 18.046 1.00 0.00 H new ATOM 249 N ALA A 15 17.090 -1.581 14.908 1.00 0.00 N ATOM 250 CA ALA A 15 18.529 -1.683 14.716 1.00 0.00 C ATOM 251 C ALA A 15 19.025 -0.672 13.692 1.00 0.00 C ATOM 252 O ALA A 15 19.911 0.128 13.982 1.00 0.00 O ATOM 253 CB ALA A 15 18.902 -3.096 14.299 1.00 0.00 C ATOM 0 H ALA A 15 16.585 -2.452 14.745 1.00 0.00 H new ATOM 0 HA ALA A 15 19.015 -1.456 15.665 1.00 0.00 H new ATOM 0 HB1 ALA A 15 19.981 -3.161 14.158 1.00 0.00 H new ATOM 0 HB2 ALA A 15 18.594 -3.797 15.075 1.00 0.00 H new ATOM 0 HB3 ALA A 15 18.398 -3.345 13.365 1.00 0.00 H new ATOM 259 N VAL A 16 18.425 -0.697 12.506 1.00 0.00 N ATOM 260 CA VAL A 16 18.825 0.198 11.421 1.00 0.00 C ATOM 261 C VAL A 16 18.723 1.658 11.853 1.00 0.00 C ATOM 262 O VAL A 16 19.637 2.451 11.616 1.00 0.00 O ATOM 263 CB VAL A 16 17.966 -0.020 10.155 1.00 0.00 C ATOM 264 CG1 VAL A 16 18.387 0.931 9.043 1.00 0.00 C ATOM 265 CG2 VAL A 16 18.053 -1.466 9.687 1.00 0.00 C ATOM 0 H VAL A 16 17.659 -1.328 12.270 1.00 0.00 H new ATOM 0 HA VAL A 16 19.862 -0.038 11.183 1.00 0.00 H new ATOM 0 HB VAL A 16 16.928 0.195 10.410 1.00 0.00 H new ATOM 0 HG11 VAL A 16 17.768 0.758 8.163 1.00 0.00 H new ATOM 0 HG12 VAL A 16 18.262 1.961 9.378 1.00 0.00 H new ATOM 0 HG13 VAL A 16 19.433 0.756 8.791 1.00 0.00 H new ATOM 0 HG21 VAL A 16 17.441 -1.597 8.795 1.00 0.00 H new ATOM 0 HG22 VAL A 16 19.089 -1.712 9.455 1.00 0.00 H new ATOM 0 HG23 VAL A 16 17.691 -2.126 10.475 1.00 0.00 H new ATOM 275 N ARG A 17 17.623 2.003 12.513 1.00 0.00 N ATOM 276 CA ARG A 17 17.408 3.371 12.969 1.00 0.00 C ATOM 277 C ARG A 17 18.455 3.772 14.003 1.00 0.00 C ATOM 278 O ARG A 17 19.045 4.848 13.906 1.00 0.00 O ATOM 279 CB ARG A 17 15.998 3.538 13.542 1.00 0.00 C ATOM 280 CG ARG A 17 15.770 4.887 14.206 1.00 0.00 C ATOM 281 CD ARG A 17 14.306 5.099 14.551 1.00 0.00 C ATOM 282 NE ARG A 17 14.108 6.273 15.398 1.00 0.00 N ATOM 283 CZ ARG A 17 13.919 7.509 14.939 1.00 0.00 C ATOM 284 NH1 ARG A 17 13.979 7.767 13.636 1.00 0.00 N ATOM 285 NH2 ARG A 17 13.685 8.493 15.793 1.00 0.00 N ATOM 0 H ARG A 17 16.869 1.356 12.744 1.00 0.00 H new ATOM 0 HA ARG A 17 17.509 4.031 12.107 1.00 0.00 H new ATOM 0 HB2 ARG A 17 15.271 3.409 12.740 1.00 0.00 H new ATOM 0 HB3 ARG A 17 15.814 2.748 14.270 1.00 0.00 H new ATOM 0 HG2 ARG A 17 16.372 4.953 15.113 1.00 0.00 H new ATOM 0 HG3 ARG A 17 16.107 5.682 13.541 1.00 0.00 H new ATOM 0 HD2 ARG A 17 13.730 5.213 13.633 1.00 0.00 H new ATOM 0 HD3 ARG A 17 13.922 4.215 15.061 1.00 0.00 H new ATOM 0 HE ARG A 17 14.115 6.137 16.409 1.00 0.00 H new ATOM 0 HH11 ARG A 17 14.172 7.014 12.975 1.00 0.00 H new ATOM 0 HH12 ARG A 17 13.832 8.718 13.297 1.00 0.00 H new ATOM 0 HH21 ARG A 17 13.651 8.302 16.794 1.00 0.00 H new ATOM 0 HH22 ARG A 17 13.539 9.442 15.450 1.00 0.00 H new ATOM 299 N MET A 18 18.701 2.895 14.973 1.00 0.00 N ATOM 300 CA MET A 18 19.680 3.169 16.022 1.00 0.00 C ATOM 301 C MET A 18 21.071 3.362 15.431 1.00 0.00 C ATOM 302 O MET A 18 21.859 4.177 15.918 1.00 0.00 O ATOM 303 CB MET A 18 19.713 2.038 17.056 1.00 0.00 C ATOM 304 CG MET A 18 18.435 1.902 17.867 1.00 0.00 C ATOM 305 SD MET A 18 18.539 0.605 19.116 1.00 0.00 S ATOM 306 CE MET A 18 19.877 1.223 20.137 1.00 0.00 C ATOM 0 H MET A 18 18.237 1.990 15.055 1.00 0.00 H new ATOM 0 HA MET A 18 19.375 4.090 16.519 1.00 0.00 H new ATOM 0 HB2 MET A 18 19.907 1.096 16.543 1.00 0.00 H new ATOM 0 HB3 MET A 18 20.547 2.207 17.737 1.00 0.00 H new ATOM 0 HG2 MET A 18 18.215 2.852 18.353 1.00 0.00 H new ATOM 0 HG3 MET A 18 17.604 1.688 17.195 1.00 0.00 H new ATOM 0 HE1 MET A 18 19.888 0.687 21.086 1.00 0.00 H new ATOM 0 HE2 MET A 18 20.826 1.072 19.623 1.00 0.00 H new ATOM 0 HE3 MET A 18 19.731 2.287 20.323 1.00 0.00 H new ATOM 316 N VAL A 19 21.369 2.604 14.381 1.00 0.00 N ATOM 317 CA VAL A 19 22.635 2.742 13.680 1.00 0.00 C ATOM 318 C VAL A 19 22.743 4.123 13.044 1.00 0.00 C ATOM 319 O VAL A 19 23.787 4.764 13.120 1.00 0.00 O ATOM 320 CB VAL A 19 22.816 1.654 12.597 1.00 0.00 C ATOM 321 CG1 VAL A 19 24.066 1.911 11.770 1.00 0.00 C ATOM 322 CG2 VAL A 19 22.882 0.268 13.226 1.00 0.00 C ATOM 0 H VAL A 19 20.750 1.889 13.999 1.00 0.00 H new ATOM 0 HA VAL A 19 23.428 2.618 14.418 1.00 0.00 H new ATOM 0 HB VAL A 19 21.949 1.697 11.937 1.00 0.00 H new ATOM 0 HG11 VAL A 19 24.170 1.131 11.016 1.00 0.00 H new ATOM 0 HG12 VAL A 19 23.985 2.881 11.280 1.00 0.00 H new ATOM 0 HG13 VAL A 19 24.940 1.905 12.421 1.00 0.00 H new ATOM 0 HG21 VAL A 19 23.010 -0.481 12.444 1.00 0.00 H new ATOM 0 HG22 VAL A 19 23.726 0.221 13.915 1.00 0.00 H new ATOM 0 HG23 VAL A 19 21.958 0.071 13.770 1.00 0.00 H new ATOM 332 N LEU A 20 21.651 4.585 12.445 1.00 0.00 N ATOM 333 CA LEU A 20 21.619 5.900 11.815 1.00 0.00 C ATOM 334 C LEU A 20 21.734 7.005 12.862 1.00 0.00 C ATOM 335 O LEU A 20 22.462 7.986 12.671 1.00 0.00 O ATOM 336 CB LEU A 20 20.332 6.069 11.005 1.00 0.00 C ATOM 337 CG LEU A 20 20.159 5.077 9.851 1.00 0.00 C ATOM 338 CD1 LEU A 20 18.812 5.278 9.177 1.00 0.00 C ATOM 339 CD2 LEU A 20 21.287 5.224 8.839 1.00 0.00 C ATOM 0 H LEU A 20 20.774 4.067 12.382 1.00 0.00 H new ATOM 0 HA LEU A 20 22.472 5.977 11.140 1.00 0.00 H new ATOM 0 HB2 LEU A 20 19.481 5.971 11.679 1.00 0.00 H new ATOM 0 HB3 LEU A 20 20.305 7.081 10.601 1.00 0.00 H new ATOM 0 HG LEU A 20 20.197 4.067 10.260 1.00 0.00 H new ATOM 0 HD11 LEU A 20 18.704 4.566 8.359 1.00 0.00 H new ATOM 0 HD12 LEU A 20 18.015 5.120 9.903 1.00 0.00 H new ATOM 0 HD13 LEU A 20 18.749 6.293 8.785 1.00 0.00 H new ATOM 0 HD21 LEU A 20 21.144 4.510 8.028 1.00 0.00 H new ATOM 0 HD22 LEU A 20 21.284 6.237 8.435 1.00 0.00 H new ATOM 0 HD23 LEU A 20 22.242 5.031 9.328 1.00 0.00 H new ATOM 351 N GLU A 21 21.022 6.838 13.970 1.00 0.00 N ATOM 352 CA GLU A 21 21.085 7.789 15.068 1.00 0.00 C ATOM 353 C GLU A 21 22.523 7.924 15.561 1.00 0.00 C ATOM 354 O GLU A 21 23.025 9.034 15.753 1.00 0.00 O ATOM 355 CB GLU A 21 20.169 7.346 16.211 1.00 0.00 C ATOM 356 CG GLU A 21 18.706 7.259 15.812 1.00 0.00 C ATOM 357 CD GLU A 21 17.819 6.850 16.965 1.00 0.00 C ATOM 358 OE1 GLU A 21 17.341 7.743 17.697 1.00 0.00 O ATOM 359 OE2 GLU A 21 17.602 5.637 17.155 1.00 0.00 O ATOM 0 H GLU A 21 20.394 6.051 14.130 1.00 0.00 H new ATOM 0 HA GLU A 21 20.744 8.760 14.710 1.00 0.00 H new ATOM 0 HB2 GLU A 21 20.498 6.372 16.574 1.00 0.00 H new ATOM 0 HB3 GLU A 21 20.271 8.046 17.040 1.00 0.00 H new ATOM 0 HG2 GLU A 21 18.378 8.226 15.430 1.00 0.00 H new ATOM 0 HG3 GLU A 21 18.596 6.541 14.999 1.00 0.00 H new ATOM 366 N SER A 22 23.191 6.789 15.716 1.00 0.00 N ATOM 367 CA SER A 22 24.572 6.771 16.175 1.00 0.00 C ATOM 368 C SER A 22 25.533 7.121 15.036 1.00 0.00 C ATOM 369 O SER A 22 26.692 7.451 15.272 1.00 0.00 O ATOM 370 CB SER A 22 24.907 5.397 16.754 1.00 0.00 C ATOM 371 OG SER A 22 23.954 5.016 17.732 1.00 0.00 O ATOM 0 H SER A 22 22.797 5.867 15.530 1.00 0.00 H new ATOM 0 HA SER A 22 24.689 7.524 16.954 1.00 0.00 H new ATOM 0 HB2 SER A 22 24.930 4.656 15.955 1.00 0.00 H new ATOM 0 HB3 SER A 22 25.902 5.418 17.198 1.00 0.00 H new ATOM 0 HG SER A 22 23.142 4.693 17.289 1.00 0.00 H new ATOM 377 N GLN A 23 25.045 7.040 13.802 1.00 0.00 N ATOM 378 CA GLN A 23 25.826 7.429 12.630 1.00 0.00 C ATOM 379 C GLN A 23 26.049 8.935 12.646 1.00 0.00 C ATOM 380 O GLN A 23 27.044 9.437 12.133 1.00 0.00 O ATOM 381 CB GLN A 23 25.108 7.010 11.338 1.00 0.00 C ATOM 382 CG GLN A 23 25.879 7.328 10.064 1.00 0.00 C ATOM 383 CD GLN A 23 27.084 6.431 9.857 1.00 0.00 C ATOM 384 OE1 GLN A 23 26.894 5.345 9.125 1.00 0.00 O flip ATOM 385 NE2 GLN A 23 28.185 6.724 10.326 1.00 0.00 N flip ATOM 0 H GLN A 23 24.106 6.706 13.586 1.00 0.00 H new ATOM 0 HA GLN A 23 26.790 6.922 12.662 1.00 0.00 H new ATOM 0 HB2 GLN A 23 24.915 5.938 11.374 1.00 0.00 H new ATOM 0 HB3 GLN A 23 24.139 7.507 11.297 1.00 0.00 H new ATOM 0 HG2 GLN A 23 25.211 7.231 9.208 1.00 0.00 H new ATOM 0 HG3 GLN A 23 26.208 8.367 10.096 1.00 0.00 H new ATOM 0 HE21 GLN A 23 28.292 7.570 10.886 1.00 0.00 H new ATOM 0 HE22 GLN A 23 28.989 6.121 10.155 1.00 0.00 H new ATOM 394 N GLY A 24 25.107 9.650 13.245 1.00 0.00 N ATOM 395 CA GLY A 24 25.263 11.082 13.431 1.00 0.00 C ATOM 396 C GLY A 24 26.198 11.421 14.584 1.00 0.00 C ATOM 397 O GLY A 24 26.383 12.589 14.923 1.00 0.00 O ATOM 0 H GLY A 24 24.235 9.264 13.607 1.00 0.00 H new ATOM 0 HA2 GLY A 24 25.648 11.525 12.513 1.00 0.00 H new ATOM 0 HA3 GLY A 24 24.287 11.530 13.615 1.00 0.00 H new ATOM 401 N GLU A 25 26.782 10.396 15.194 1.00 0.00 N ATOM 402 CA GLU A 25 27.690 10.579 16.322 1.00 0.00 C ATOM 403 C GLU A 25 29.057 9.980 16.009 1.00 0.00 C ATOM 404 O GLU A 25 30.094 10.598 16.262 1.00 0.00 O ATOM 405 CB GLU A 25 27.107 9.934 17.578 1.00 0.00 C ATOM 406 CG GLU A 25 25.755 10.495 17.974 1.00 0.00 C ATOM 407 CD GLU A 25 25.152 9.768 19.153 1.00 0.00 C ATOM 408 OE1 GLU A 25 25.457 10.134 20.303 1.00 0.00 O ATOM 409 OE2 GLU A 25 24.372 8.817 18.935 1.00 0.00 O ATOM 0 H GLU A 25 26.642 9.422 14.924 1.00 0.00 H new ATOM 0 HA GLU A 25 27.812 11.648 16.499 1.00 0.00 H new ATOM 0 HB2 GLU A 25 27.012 8.860 17.415 1.00 0.00 H new ATOM 0 HB3 GLU A 25 27.805 10.071 18.404 1.00 0.00 H new ATOM 0 HG2 GLU A 25 25.861 11.552 18.218 1.00 0.00 H new ATOM 0 HG3 GLU A 25 25.075 10.430 17.125 1.00 0.00 H new ATOM 416 N TYR A 26 29.050 8.773 15.462 1.00 0.00 N ATOM 417 CA TYR A 26 30.279 8.107 15.055 1.00 0.00 C ATOM 418 C TYR A 26 30.672 8.530 13.649 1.00 0.00 C ATOM 419 O TYR A 26 29.828 8.933 12.855 1.00 0.00 O ATOM 420 CB TYR A 26 30.109 6.585 15.095 1.00 0.00 C ATOM 421 CG TYR A 26 30.017 6.006 16.488 1.00 0.00 C ATOM 422 CD1 TYR A 26 31.163 5.783 17.239 1.00 0.00 C ATOM 423 CD2 TYR A 26 28.790 5.672 17.047 1.00 0.00 C ATOM 424 CE1 TYR A 26 31.091 5.240 18.505 1.00 0.00 C ATOM 425 CE2 TYR A 26 28.709 5.132 18.316 1.00 0.00 C ATOM 426 CZ TYR A 26 29.864 4.919 19.040 1.00 0.00 C ATOM 427 OH TYR A 26 29.793 4.370 20.298 1.00 0.00 O ATOM 0 H TYR A 26 28.202 8.233 15.289 1.00 0.00 H new ATOM 0 HA TYR A 26 31.064 8.397 15.753 1.00 0.00 H new ATOM 0 HB2 TYR A 26 29.208 6.317 14.543 1.00 0.00 H new ATOM 0 HB3 TYR A 26 30.950 6.123 14.577 1.00 0.00 H new ATOM 0 HD1 TYR A 26 32.127 6.039 16.825 1.00 0.00 H new ATOM 0 HD2 TYR A 26 27.885 5.837 16.481 1.00 0.00 H new ATOM 0 HE1 TYR A 26 31.993 5.068 19.074 1.00 0.00 H new ATOM 0 HE2 TYR A 26 27.748 4.878 18.738 1.00 0.00 H new ATOM 0 HH TYR A 26 28.856 4.203 20.529 1.00 0.00 H new ATOM 437 N ASP A 27 31.955 8.444 13.350 1.00 0.00 N ATOM 438 CA ASP A 27 32.433 8.723 12.003 1.00 0.00 C ATOM 439 C ASP A 27 32.454 7.435 11.195 1.00 0.00 C ATOM 440 O ASP A 27 32.426 7.450 9.964 1.00 0.00 O ATOM 441 CB ASP A 27 33.838 9.331 12.033 1.00 0.00 C ATOM 442 CG ASP A 27 34.884 8.338 12.499 1.00 0.00 C ATOM 443 OD1 ASP A 27 35.065 8.192 13.722 1.00 0.00 O ATOM 444 OD2 ASP A 27 35.519 7.685 11.642 1.00 0.00 O ATOM 0 H ASP A 27 32.683 8.185 14.015 1.00 0.00 H new ATOM 0 HA ASP A 27 31.757 9.442 11.540 1.00 0.00 H new ATOM 0 HB2 ASP A 27 34.098 9.689 11.037 1.00 0.00 H new ATOM 0 HB3 ASP A 27 33.843 10.198 12.694 1.00 0.00 H new ATOM 449 N SER A 28 32.498 6.317 11.906 1.00 0.00 N ATOM 450 CA SER A 28 32.564 5.011 11.280 1.00 0.00 C ATOM 451 C SER A 28 31.463 4.095 11.808 1.00 0.00 C ATOM 452 O SER A 28 31.422 3.769 13.000 1.00 0.00 O ATOM 453 CB SER A 28 33.939 4.385 11.523 1.00 0.00 C ATOM 454 OG SER A 28 34.968 5.162 10.929 1.00 0.00 O ATOM 0 H SER A 28 32.489 6.293 12.926 1.00 0.00 H new ATOM 0 HA SER A 28 32.413 5.135 10.208 1.00 0.00 H new ATOM 0 HB2 SER A 28 34.118 4.298 12.595 1.00 0.00 H new ATOM 0 HB3 SER A 28 33.959 3.375 11.113 1.00 0.00 H new ATOM 0 HG SER A 28 35.095 5.986 11.444 1.00 0.00 H new ATOM 460 N GLN A 29 30.578 3.685 10.903 1.00 0.00 N ATOM 461 CA GLN A 29 29.475 2.771 11.211 1.00 0.00 C ATOM 462 C GLN A 29 29.999 1.432 11.737 1.00 0.00 C ATOM 463 O GLN A 29 29.275 0.671 12.386 1.00 0.00 O ATOM 464 CB GLN A 29 28.640 2.566 9.941 1.00 0.00 C ATOM 465 CG GLN A 29 27.416 1.685 10.114 1.00 0.00 C ATOM 466 CD GLN A 29 26.573 1.622 8.852 1.00 0.00 C ATOM 467 OE1 GLN A 29 25.361 1.449 8.911 1.00 0.00 O ATOM 468 NE2 GLN A 29 27.208 1.773 7.699 1.00 0.00 N ATOM 0 H GLN A 29 30.604 3.979 9.927 1.00 0.00 H new ATOM 0 HA GLN A 29 28.854 3.205 11.995 1.00 0.00 H new ATOM 0 HB2 GLN A 29 28.319 3.541 9.574 1.00 0.00 H new ATOM 0 HB3 GLN A 29 29.277 2.130 9.172 1.00 0.00 H new ATOM 0 HG2 GLN A 29 27.731 0.678 10.390 1.00 0.00 H new ATOM 0 HG3 GLN A 29 26.809 2.066 10.936 1.00 0.00 H new ATOM 0 HE21 GLN A 29 28.218 1.915 7.688 1.00 0.00 H new ATOM 0 HE22 GLN A 29 26.687 1.747 6.823 1.00 0.00 H new ATOM 477 N TRP A 30 31.271 1.173 11.461 1.00 0.00 N ATOM 478 CA TRP A 30 31.962 -0.026 11.925 1.00 0.00 C ATOM 479 C TRP A 30 31.805 -0.184 13.441 1.00 0.00 C ATOM 480 O TRP A 30 31.494 -1.268 13.940 1.00 0.00 O ATOM 481 CB TRP A 30 33.447 0.089 11.557 1.00 0.00 C ATOM 482 CG TRP A 30 34.214 -1.199 11.624 1.00 0.00 C ATOM 483 CD1 TRP A 30 34.514 -1.928 12.741 1.00 0.00 C ATOM 484 CD2 TRP A 30 34.801 -1.899 10.520 1.00 0.00 C ATOM 485 NE1 TRP A 30 35.250 -3.036 12.394 1.00 0.00 N ATOM 486 CE2 TRP A 30 35.438 -3.040 11.036 1.00 0.00 C ATOM 487 CE3 TRP A 30 34.844 -1.669 9.141 1.00 0.00 C ATOM 488 CZ2 TRP A 30 36.117 -3.948 10.220 1.00 0.00 C ATOM 489 CZ3 TRP A 30 35.516 -2.567 8.335 1.00 0.00 C ATOM 490 CH2 TRP A 30 36.143 -3.695 8.873 1.00 0.00 C ATOM 0 H TRP A 30 31.858 1.794 10.904 1.00 0.00 H new ATOM 0 HA TRP A 30 31.528 -0.904 11.447 1.00 0.00 H new ATOM 0 HB2 TRP A 30 33.526 0.491 10.547 1.00 0.00 H new ATOM 0 HB3 TRP A 30 33.917 0.811 12.225 1.00 0.00 H new ATOM 0 HD1 TRP A 30 34.217 -1.671 13.747 1.00 0.00 H new ATOM 0 HE1 TRP A 30 35.600 -3.741 13.042 1.00 0.00 H new ATOM 0 HE3 TRP A 30 34.360 -0.803 8.714 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 36.604 -4.818 10.635 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 35.558 -2.395 7.270 1.00 0.00 H new ATOM 0 HH2 TRP A 30 36.657 -4.380 8.215 1.00 0.00 H new ATOM 501 N ALA A 31 32.002 0.917 14.161 1.00 0.00 N ATOM 502 CA ALA A 31 31.919 0.912 15.617 1.00 0.00 C ATOM 503 C ALA A 31 30.466 0.854 16.077 1.00 0.00 C ATOM 504 O ALA A 31 30.153 0.298 17.130 1.00 0.00 O ATOM 505 CB ALA A 31 32.611 2.146 16.188 1.00 0.00 C ATOM 0 H ALA A 31 32.221 1.827 13.757 1.00 0.00 H new ATOM 0 HA ALA A 31 32.427 0.022 15.988 1.00 0.00 H new ATOM 0 HB1 ALA A 31 32.542 2.131 17.276 1.00 0.00 H new ATOM 0 HB2 ALA A 31 33.660 2.145 15.891 1.00 0.00 H new ATOM 0 HB3 ALA A 31 32.126 3.044 15.806 1.00 0.00 H new ATOM 511 N THR A 32 29.586 1.422 15.267 1.00 0.00 N ATOM 512 CA THR A 32 28.166 1.465 15.567 1.00 0.00 C ATOM 513 C THR A 32 27.581 0.053 15.652 1.00 0.00 C ATOM 514 O THR A 32 26.897 -0.294 16.621 1.00 0.00 O ATOM 515 CB THR A 32 27.419 2.268 14.489 1.00 0.00 C ATOM 516 OG1 THR A 32 28.138 3.475 14.203 1.00 0.00 O ATOM 517 CG2 THR A 32 26.015 2.615 14.947 1.00 0.00 C ATOM 0 H THR A 32 29.838 1.866 14.384 1.00 0.00 H new ATOM 0 HA THR A 32 28.041 1.953 16.534 1.00 0.00 H new ATOM 0 HB THR A 32 27.350 1.655 13.591 1.00 0.00 H new ATOM 0 HG1 THR A 32 28.243 3.996 15.026 1.00 0.00 H new ATOM 0 HG21 THR A 32 25.508 3.183 14.167 1.00 0.00 H new ATOM 0 HG22 THR A 32 25.461 1.698 15.147 1.00 0.00 H new ATOM 0 HG23 THR A 32 26.066 3.214 15.856 1.00 0.00 H new ATOM 525 N ILE A 33 27.877 -0.759 14.641 1.00 0.00 N ATOM 526 CA ILE A 33 27.403 -2.140 14.580 1.00 0.00 C ATOM 527 C ILE A 33 27.814 -2.918 15.830 1.00 0.00 C ATOM 528 O ILE A 33 26.992 -3.573 16.472 1.00 0.00 O ATOM 529 CB ILE A 33 27.956 -2.864 13.329 1.00 0.00 C ATOM 530 CG1 ILE A 33 27.441 -2.194 12.052 1.00 0.00 C ATOM 531 CG2 ILE A 33 27.580 -4.342 13.343 1.00 0.00 C ATOM 532 CD1 ILE A 33 28.076 -2.732 10.788 1.00 0.00 C ATOM 0 H ILE A 33 28.449 -0.481 13.844 1.00 0.00 H new ATOM 0 HA ILE A 33 26.315 -2.104 14.522 1.00 0.00 H new ATOM 0 HB ILE A 33 29.043 -2.790 13.348 1.00 0.00 H new ATOM 0 HG12 ILE A 33 26.361 -2.328 11.992 1.00 0.00 H new ATOM 0 HG13 ILE A 33 27.626 -1.122 12.114 1.00 0.00 H new ATOM 0 HG21 ILE A 33 27.981 -4.828 12.453 1.00 0.00 H new ATOM 0 HG22 ILE A 33 27.996 -4.815 14.233 1.00 0.00 H new ATOM 0 HG23 ILE A 33 26.495 -4.441 13.353 1.00 0.00 H new ATOM 0 HD11 ILE A 33 27.664 -2.212 9.924 1.00 0.00 H new ATOM 0 HD12 ILE A 33 29.154 -2.574 10.827 1.00 0.00 H new ATOM 0 HD13 ILE A 33 27.869 -3.799 10.702 1.00 0.00 H new ATOM 544 N CYS A 34 29.084 -2.796 16.190 1.00 0.00 N ATOM 545 CA CYS A 34 29.667 -3.571 17.282 1.00 0.00 C ATOM 546 C CYS A 34 29.128 -3.138 18.648 1.00 0.00 C ATOM 547 O CYS A 34 29.296 -3.847 19.641 1.00 0.00 O ATOM 548 CB CYS A 34 31.187 -3.417 17.255 1.00 0.00 C ATOM 549 SG CYS A 34 31.940 -3.809 15.660 1.00 0.00 S ATOM 0 H CYS A 34 29.740 -2.160 15.736 1.00 0.00 H new ATOM 0 HA CYS A 34 29.389 -4.615 17.137 1.00 0.00 H new ATOM 0 HB2 CYS A 34 31.442 -2.392 17.523 1.00 0.00 H new ATOM 0 HB3 CYS A 34 31.621 -4.063 18.018 1.00 0.00 H new ATOM 0 HG CYS A 34 31.804 -2.797 14.855 1.00 0.00 H new ATOM 555 N SER A 35 28.488 -1.978 18.702 1.00 0.00 N ATOM 556 CA SER A 35 27.993 -1.452 19.969 1.00 0.00 C ATOM 557 C SER A 35 26.504 -1.752 20.164 1.00 0.00 C ATOM 558 O SER A 35 26.060 -2.030 21.278 1.00 0.00 O ATOM 559 CB SER A 35 28.246 0.054 20.040 1.00 0.00 C ATOM 560 OG SER A 35 29.614 0.343 19.794 1.00 0.00 O ATOM 0 H SER A 35 28.300 -1.387 17.892 1.00 0.00 H new ATOM 0 HA SER A 35 28.535 -1.949 20.774 1.00 0.00 H new ATOM 0 HB2 SER A 35 27.623 0.568 19.308 1.00 0.00 H new ATOM 0 HB3 SER A 35 27.960 0.430 21.022 1.00 0.00 H new ATOM 0 HG SER A 35 29.775 0.367 18.828 1.00 0.00 H new ATOM 566 N ILE A 36 25.741 -1.711 19.080 1.00 0.00 N ATOM 567 CA ILE A 36 24.292 -1.893 19.159 1.00 0.00 C ATOM 568 C ILE A 36 23.910 -3.374 19.126 1.00 0.00 C ATOM 569 O ILE A 36 22.896 -3.774 19.701 1.00 0.00 O ATOM 570 CB ILE A 36 23.575 -1.139 18.016 1.00 0.00 C ATOM 571 CG1 ILE A 36 23.941 0.344 18.067 1.00 0.00 C ATOM 572 CG2 ILE A 36 22.060 -1.319 18.102 1.00 0.00 C ATOM 573 CD1 ILE A 36 23.358 1.156 16.936 1.00 0.00 C ATOM 0 H ILE A 36 26.097 -1.554 18.137 1.00 0.00 H new ATOM 0 HA ILE A 36 23.968 -1.477 20.113 1.00 0.00 H new ATOM 0 HB ILE A 36 23.905 -1.557 17.065 1.00 0.00 H new ATOM 0 HG12 ILE A 36 23.599 0.760 19.014 1.00 0.00 H new ATOM 0 HG13 ILE A 36 25.027 0.441 18.049 1.00 0.00 H new ATOM 0 HG21 ILE A 36 21.582 -0.778 17.285 1.00 0.00 H new ATOM 0 HG22 ILE A 36 21.815 -2.378 18.027 1.00 0.00 H new ATOM 0 HG23 ILE A 36 21.701 -0.930 19.055 1.00 0.00 H new ATOM 0 HD11 ILE A 36 23.662 2.197 17.041 1.00 0.00 H new ATOM 0 HD12 ILE A 36 23.720 0.767 15.984 1.00 0.00 H new ATOM 0 HD13 ILE A 36 22.270 1.091 16.964 1.00 0.00 H new ATOM 585 N ALA A 37 24.738 -4.188 18.474 1.00 0.00 N ATOM 586 CA ALA A 37 24.475 -5.624 18.348 1.00 0.00 C ATOM 587 C ALA A 37 24.218 -6.304 19.705 1.00 0.00 C ATOM 588 O ALA A 37 23.195 -6.973 19.866 1.00 0.00 O ATOM 589 CB ALA A 37 25.616 -6.312 17.607 1.00 0.00 C ATOM 0 H ALA A 37 25.599 -3.879 18.023 1.00 0.00 H new ATOM 0 HA ALA A 37 23.558 -5.729 17.768 1.00 0.00 H new ATOM 0 HB1 ALA A 37 25.404 -7.378 17.522 1.00 0.00 H new ATOM 0 HB2 ALA A 37 25.715 -5.881 16.611 1.00 0.00 H new ATOM 0 HB3 ALA A 37 26.546 -6.169 18.158 1.00 0.00 H new ATOM 595 N PRO A 38 25.118 -6.146 20.707 1.00 0.00 N ATOM 596 CA PRO A 38 24.944 -6.785 22.018 1.00 0.00 C ATOM 597 C PRO A 38 23.791 -6.190 22.831 1.00 0.00 C ATOM 598 O PRO A 38 23.361 -6.775 23.825 1.00 0.00 O ATOM 599 CB PRO A 38 26.275 -6.529 22.727 1.00 0.00 C ATOM 600 CG PRO A 38 26.809 -5.300 22.086 1.00 0.00 C ATOM 601 CD PRO A 38 26.375 -5.370 20.650 1.00 0.00 C ATOM 0 HA PRO A 38 24.693 -7.840 21.909 1.00 0.00 H new ATOM 0 HB2 PRO A 38 26.133 -6.388 23.798 1.00 0.00 H new ATOM 0 HB3 PRO A 38 26.958 -7.369 22.604 1.00 0.00 H new ATOM 0 HG2 PRO A 38 26.419 -4.405 22.570 1.00 0.00 H new ATOM 0 HG3 PRO A 38 27.895 -5.257 22.165 1.00 0.00 H new ATOM 0 HD2 PRO A 38 26.215 -4.377 20.230 1.00 0.00 H new ATOM 0 HD3 PRO A 38 27.123 -5.862 20.028 1.00 0.00 H new ATOM 609 N LYS A 39 23.296 -5.029 22.412 1.00 0.00 N ATOM 610 CA LYS A 39 22.184 -4.383 23.099 1.00 0.00 C ATOM 611 C LYS A 39 20.881 -5.126 22.826 1.00 0.00 C ATOM 612 O LYS A 39 20.126 -5.444 23.748 1.00 0.00 O ATOM 613 CB LYS A 39 22.052 -2.919 22.660 1.00 0.00 C ATOM 614 CG LYS A 39 20.756 -2.262 23.110 1.00 0.00 C ATOM 615 CD LYS A 39 20.655 -2.188 24.623 1.00 0.00 C ATOM 616 CE LYS A 39 19.230 -1.905 25.074 1.00 0.00 C ATOM 617 NZ LYS A 39 18.669 -0.680 24.447 1.00 0.00 N ATOM 0 H LYS A 39 23.647 -4.518 21.602 1.00 0.00 H new ATOM 0 HA LYS A 39 22.388 -4.410 24.169 1.00 0.00 H new ATOM 0 HB2 LYS A 39 22.894 -2.352 23.057 1.00 0.00 H new ATOM 0 HB3 LYS A 39 22.117 -2.867 21.573 1.00 0.00 H new ATOM 0 HG2 LYS A 39 20.694 -1.257 22.692 1.00 0.00 H new ATOM 0 HG3 LYS A 39 19.909 -2.823 22.717 1.00 0.00 H new ATOM 0 HD2 LYS A 39 20.995 -3.128 25.058 1.00 0.00 H new ATOM 0 HD3 LYS A 39 21.317 -1.406 24.995 1.00 0.00 H new ATOM 0 HE2 LYS A 39 18.598 -2.758 24.827 1.00 0.00 H new ATOM 0 HE3 LYS A 39 19.210 -1.796 26.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 17.778 -0.425 24.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 19.348 0.102 24.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 18.488 -0.858 23.439 1.00 0.00 H new ATOM 631 N ILE A 40 20.618 -5.393 21.559 1.00 0.00 N ATOM 632 CA ILE A 40 19.391 -6.071 21.174 1.00 0.00 C ATOM 633 C ILE A 40 19.577 -7.584 21.241 1.00 0.00 C ATOM 634 O ILE A 40 18.617 -8.337 21.420 1.00 0.00 O ATOM 635 CB ILE A 40 18.948 -5.658 19.752 1.00 0.00 C ATOM 636 CG1 ILE A 40 18.941 -4.131 19.623 1.00 0.00 C ATOM 637 CG2 ILE A 40 17.568 -6.221 19.441 1.00 0.00 C ATOM 638 CD1 ILE A 40 18.582 -3.636 18.239 1.00 0.00 C ATOM 0 H ILE A 40 21.234 -5.153 20.782 1.00 0.00 H new ATOM 0 HA ILE A 40 18.611 -5.775 21.876 1.00 0.00 H new ATOM 0 HB ILE A 40 19.658 -6.067 19.033 1.00 0.00 H new ATOM 0 HG12 ILE A 40 18.232 -3.718 20.341 1.00 0.00 H new ATOM 0 HG13 ILE A 40 19.926 -3.749 19.891 1.00 0.00 H new ATOM 0 HG21 ILE A 40 17.271 -5.921 18.436 1.00 0.00 H new ATOM 0 HG22 ILE A 40 17.597 -7.309 19.501 1.00 0.00 H new ATOM 0 HG23 ILE A 40 16.847 -5.837 20.163 1.00 0.00 H new ATOM 0 HD11 ILE A 40 18.598 -2.546 18.227 1.00 0.00 H new ATOM 0 HD12 ILE A 40 19.304 -4.018 17.517 1.00 0.00 H new ATOM 0 HD13 ILE A 40 17.585 -3.987 17.974 1.00 0.00 H new ATOM 650 N GLY A 41 20.822 -8.021 21.119 1.00 0.00 N ATOM 651 CA GLY A 41 21.115 -9.438 21.147 1.00 0.00 C ATOM 652 C GLY A 41 20.977 -10.060 19.779 1.00 0.00 C ATOM 653 O GLY A 41 20.409 -11.142 19.627 1.00 0.00 O ATOM 0 H GLY A 41 21.636 -7.417 21.001 1.00 0.00 H new ATOM 0 HA2 GLY A 41 22.128 -9.594 21.518 1.00 0.00 H new ATOM 0 HA3 GLY A 41 20.441 -9.936 21.844 1.00 0.00 H new ATOM 657 N CYS A 42 21.487 -9.364 18.777 1.00 0.00 N ATOM 658 CA CYS A 42 21.405 -9.830 17.406 1.00 0.00 C ATOM 659 C CYS A 42 22.794 -9.950 16.801 1.00 0.00 C ATOM 660 O CYS A 42 23.725 -9.249 17.207 1.00 0.00 O ATOM 661 CB CYS A 42 20.546 -8.879 16.572 1.00 0.00 C ATOM 662 SG CYS A 42 18.850 -8.702 17.176 1.00 0.00 S ATOM 0 H CYS A 42 21.964 -8.470 18.890 1.00 0.00 H new ATOM 0 HA CYS A 42 20.939 -10.815 17.404 1.00 0.00 H new ATOM 0 HB2 CYS A 42 21.020 -7.897 16.555 1.00 0.00 H new ATOM 0 HB3 CYS A 42 20.519 -9.237 15.543 1.00 0.00 H new ATOM 0 HG CYS A 42 18.200 -7.877 16.410 1.00 0.00 H new ATOM 668 N THR A 43 22.928 -10.850 15.843 1.00 0.00 N ATOM 669 CA THR A 43 24.190 -11.070 15.160 1.00 0.00 C ATOM 670 C THR A 43 24.588 -9.855 14.323 1.00 0.00 C ATOM 671 O THR A 43 23.818 -9.389 13.482 1.00 0.00 O ATOM 672 CB THR A 43 24.088 -12.311 14.261 1.00 0.00 C ATOM 673 OG1 THR A 43 22.710 -12.547 13.935 1.00 0.00 O ATOM 674 CG2 THR A 43 24.673 -13.530 14.955 1.00 0.00 C ATOM 0 H THR A 43 22.168 -11.447 15.518 1.00 0.00 H new ATOM 0 HA THR A 43 24.960 -11.228 15.915 1.00 0.00 H new ATOM 0 HB THR A 43 24.657 -12.134 13.349 1.00 0.00 H new ATOM 0 HG1 THR A 43 22.315 -13.150 14.599 1.00 0.00 H new ATOM 0 HG21 THR A 43 24.590 -14.397 14.299 1.00 0.00 H new ATOM 0 HG22 THR A 43 25.723 -13.349 15.185 1.00 0.00 H new ATOM 0 HG23 THR A 43 24.127 -13.720 15.879 1.00 0.00 H new ATOM 682 N PRO A 44 25.804 -9.327 14.548 1.00 0.00 N ATOM 683 CA PRO A 44 26.313 -8.152 13.821 1.00 0.00 C ATOM 684 C PRO A 44 26.368 -8.388 12.316 1.00 0.00 C ATOM 685 O PRO A 44 26.211 -7.460 11.521 1.00 0.00 O ATOM 686 CB PRO A 44 27.724 -7.956 14.383 1.00 0.00 C ATOM 687 CG PRO A 44 27.725 -8.674 15.691 1.00 0.00 C ATOM 688 CD PRO A 44 26.780 -9.829 15.530 1.00 0.00 C ATOM 0 HA PRO A 44 25.669 -7.283 13.954 1.00 0.00 H new ATOM 0 HB2 PRO A 44 28.477 -8.364 13.709 1.00 0.00 H new ATOM 0 HB3 PRO A 44 27.953 -6.898 14.514 1.00 0.00 H new ATOM 0 HG2 PRO A 44 28.726 -9.022 15.944 1.00 0.00 H new ATOM 0 HG3 PRO A 44 27.403 -8.016 16.498 1.00 0.00 H new ATOM 0 HD2 PRO A 44 27.292 -10.721 15.170 1.00 0.00 H new ATOM 0 HD3 PRO A 44 26.303 -10.094 16.473 1.00 0.00 H new ATOM 696 N GLU A 45 26.580 -9.641 11.934 1.00 0.00 N ATOM 697 CA GLU A 45 26.635 -10.017 10.530 1.00 0.00 C ATOM 698 C GLU A 45 25.285 -9.790 9.862 1.00 0.00 C ATOM 699 O GLU A 45 25.212 -9.295 8.737 1.00 0.00 O ATOM 700 CB GLU A 45 27.058 -11.481 10.393 1.00 0.00 C ATOM 701 CG GLU A 45 28.368 -11.797 11.098 1.00 0.00 C ATOM 702 CD GLU A 45 29.490 -10.872 10.677 1.00 0.00 C ATOM 703 OE1 GLU A 45 30.185 -11.184 9.689 1.00 0.00 O ATOM 704 OE2 GLU A 45 29.676 -9.824 11.333 1.00 0.00 O ATOM 0 H GLU A 45 26.717 -10.417 12.582 1.00 0.00 H new ATOM 0 HA GLU A 45 27.374 -9.390 10.031 1.00 0.00 H new ATOM 0 HB2 GLU A 45 26.272 -12.118 10.798 1.00 0.00 H new ATOM 0 HB3 GLU A 45 27.154 -11.727 9.335 1.00 0.00 H new ATOM 0 HG2 GLU A 45 28.224 -11.722 12.176 1.00 0.00 H new ATOM 0 HG3 GLU A 45 28.652 -12.828 10.886 1.00 0.00 H new ATOM 711 N THR A 46 24.217 -10.131 10.571 1.00 0.00 N ATOM 712 CA THR A 46 22.869 -9.937 10.064 1.00 0.00 C ATOM 713 C THR A 46 22.553 -8.447 9.954 1.00 0.00 C ATOM 714 O THR A 46 21.834 -8.015 9.052 1.00 0.00 O ATOM 715 CB THR A 46 21.841 -10.617 10.981 1.00 0.00 C ATOM 716 OG1 THR A 46 22.334 -11.906 11.376 1.00 0.00 O ATOM 717 CG2 THR A 46 20.500 -10.777 10.277 1.00 0.00 C ATOM 0 H THR A 46 24.261 -10.545 11.502 1.00 0.00 H new ATOM 0 HA THR A 46 22.811 -10.390 9.074 1.00 0.00 H new ATOM 0 HB THR A 46 21.693 -9.989 11.860 1.00 0.00 H new ATOM 0 HG1 THR A 46 22.389 -11.950 12.353 1.00 0.00 H new ATOM 0 HG21 THR A 46 19.792 -11.261 10.949 1.00 0.00 H new ATOM 0 HG22 THR A 46 20.119 -9.796 9.993 1.00 0.00 H new ATOM 0 HG23 THR A 46 20.629 -11.389 9.384 1.00 0.00 H new ATOM 725 N LEU A 47 23.120 -7.664 10.867 1.00 0.00 N ATOM 726 CA LEU A 47 22.938 -6.220 10.853 1.00 0.00 C ATOM 727 C LEU A 47 23.544 -5.628 9.582 1.00 0.00 C ATOM 728 O LEU A 47 22.981 -4.708 8.991 1.00 0.00 O ATOM 729 CB LEU A 47 23.564 -5.587 12.099 1.00 0.00 C ATOM 730 CG LEU A 47 23.436 -4.064 12.208 1.00 0.00 C ATOM 731 CD1 LEU A 47 21.977 -3.635 12.156 1.00 0.00 C ATOM 732 CD2 LEU A 47 24.085 -3.572 13.492 1.00 0.00 C ATOM 0 H LEU A 47 23.709 -8.007 11.625 1.00 0.00 H new ATOM 0 HA LEU A 47 21.870 -6.001 10.863 1.00 0.00 H new ATOM 0 HB2 LEU A 47 23.106 -6.035 12.981 1.00 0.00 H new ATOM 0 HB3 LEU A 47 24.622 -5.847 12.123 1.00 0.00 H new ATOM 0 HG LEU A 47 23.952 -3.617 11.358 1.00 0.00 H new ATOM 0 HD11 LEU A 47 21.914 -2.550 12.235 1.00 0.00 H new ATOM 0 HD12 LEU A 47 21.537 -3.956 11.212 1.00 0.00 H new ATOM 0 HD13 LEU A 47 21.434 -4.091 12.983 1.00 0.00 H new ATOM 0 HD21 LEU A 47 23.987 -2.488 13.557 1.00 0.00 H new ATOM 0 HD22 LEU A 47 23.593 -4.033 14.348 1.00 0.00 H new ATOM 0 HD23 LEU A 47 25.141 -3.842 13.492 1.00 0.00 H new ATOM 744 N ARG A 48 24.682 -6.180 9.153 1.00 0.00 N ATOM 745 CA ARG A 48 25.304 -5.762 7.897 1.00 0.00 C ATOM 746 C ARG A 48 24.336 -5.977 6.733 1.00 0.00 C ATOM 747 O ARG A 48 24.256 -5.165 5.811 1.00 0.00 O ATOM 748 CB ARG A 48 26.589 -6.552 7.611 1.00 0.00 C ATOM 749 CG ARG A 48 27.599 -6.595 8.747 1.00 0.00 C ATOM 750 CD ARG A 48 28.920 -7.165 8.253 1.00 0.00 C ATOM 751 NE ARG A 48 29.736 -7.739 9.322 1.00 0.00 N ATOM 752 CZ ARG A 48 31.069 -7.733 9.323 1.00 0.00 C ATOM 753 NH1 ARG A 48 31.733 -7.055 8.397 1.00 0.00 N ATOM 754 NH2 ARG A 48 31.727 -8.404 10.257 1.00 0.00 N ATOM 0 H ARG A 48 25.187 -6.912 9.653 1.00 0.00 H new ATOM 0 HA ARG A 48 25.553 -4.705 7.997 1.00 0.00 H new ATOM 0 HB2 ARG A 48 26.316 -7.575 7.353 1.00 0.00 H new ATOM 0 HB3 ARG A 48 27.072 -6.120 6.735 1.00 0.00 H new ATOM 0 HG2 ARG A 48 27.753 -5.592 9.145 1.00 0.00 H new ATOM 0 HG3 ARG A 48 27.213 -7.206 9.563 1.00 0.00 H new ATOM 0 HD2 ARG A 48 28.720 -7.933 7.505 1.00 0.00 H new ATOM 0 HD3 ARG A 48 29.486 -6.376 7.757 1.00 0.00 H new ATOM 0 HE ARG A 48 29.257 -8.169 10.113 1.00 0.00 H new ATOM 0 HH11 ARG A 48 31.224 -6.536 7.681 1.00 0.00 H new ATOM 0 HH12 ARG A 48 32.753 -7.052 8.400 1.00 0.00 H new ATOM 0 HH21 ARG A 48 31.214 -8.922 10.970 1.00 0.00 H new ATOM 0 HH22 ARG A 48 32.747 -8.403 10.263 1.00 0.00 H new ATOM 768 N VAL A 49 23.605 -7.087 6.791 1.00 0.00 N ATOM 769 CA VAL A 49 22.641 -7.439 5.757 1.00 0.00 C ATOM 770 C VAL A 49 21.490 -6.440 5.735 1.00 0.00 C ATOM 771 O VAL A 49 21.059 -6.003 4.668 1.00 0.00 O ATOM 772 CB VAL A 49 22.080 -8.862 5.968 1.00 0.00 C ATOM 773 CG1 VAL A 49 21.109 -9.230 4.857 1.00 0.00 C ATOM 774 CG2 VAL A 49 23.212 -9.878 6.049 1.00 0.00 C ATOM 0 H VAL A 49 23.665 -7.763 7.552 1.00 0.00 H new ATOM 0 HA VAL A 49 23.165 -7.411 4.802 1.00 0.00 H new ATOM 0 HB VAL A 49 21.537 -8.877 6.913 1.00 0.00 H new ATOM 0 HG11 VAL A 49 20.727 -10.237 5.027 1.00 0.00 H new ATOM 0 HG12 VAL A 49 20.279 -8.523 4.850 1.00 0.00 H new ATOM 0 HG13 VAL A 49 21.624 -9.195 3.897 1.00 0.00 H new ATOM 0 HG21 VAL A 49 22.796 -10.875 6.198 1.00 0.00 H new ATOM 0 HG22 VAL A 49 23.785 -9.859 5.122 1.00 0.00 H new ATOM 0 HG23 VAL A 49 23.865 -9.629 6.885 1.00 0.00 H new ATOM 784 N TRP A 50 21.008 -6.069 6.917 1.00 0.00 N ATOM 785 CA TRP A 50 19.923 -5.099 7.026 1.00 0.00 C ATOM 786 C TRP A 50 20.334 -3.755 6.429 1.00 0.00 C ATOM 787 O TRP A 50 19.516 -3.067 5.817 1.00 0.00 O ATOM 788 CB TRP A 50 19.489 -4.923 8.482 1.00 0.00 C ATOM 789 CG TRP A 50 18.831 -6.142 9.056 1.00 0.00 C ATOM 790 CD1 TRP A 50 18.065 -7.055 8.387 1.00 0.00 C ATOM 791 CD2 TRP A 50 18.861 -6.568 10.424 1.00 0.00 C ATOM 792 NE1 TRP A 50 17.636 -8.034 9.248 1.00 0.00 N ATOM 793 CE2 TRP A 50 18.109 -7.756 10.505 1.00 0.00 C ATOM 794 CE3 TRP A 50 19.457 -6.067 11.586 1.00 0.00 C ATOM 795 CZ2 TRP A 50 17.935 -8.447 11.700 1.00 0.00 C ATOM 796 CZ3 TRP A 50 19.282 -6.755 12.774 1.00 0.00 C ATOM 797 CH2 TRP A 50 18.529 -7.935 12.821 1.00 0.00 C ATOM 0 H TRP A 50 21.350 -6.424 7.810 1.00 0.00 H new ATOM 0 HA TRP A 50 19.075 -5.484 6.460 1.00 0.00 H new ATOM 0 HB2 TRP A 50 20.361 -4.671 9.086 1.00 0.00 H new ATOM 0 HB3 TRP A 50 18.800 -4.081 8.549 1.00 0.00 H new ATOM 0 HD1 TRP A 50 17.831 -7.012 7.333 1.00 0.00 H new ATOM 0 HE1 TRP A 50 17.060 -8.837 8.995 1.00 0.00 H new ATOM 0 HE3 TRP A 50 20.043 -5.160 11.557 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 17.352 -9.355 11.741 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 19.733 -6.376 13.679 1.00 0.00 H new ATOM 0 HH2 TRP A 50 18.415 -8.452 13.762 1.00 0.00 H new ATOM 808 N VAL A 51 21.599 -3.392 6.603 1.00 0.00 N ATOM 809 CA VAL A 51 22.134 -2.178 5.997 1.00 0.00 C ATOM 810 C VAL A 51 21.998 -2.245 4.477 1.00 0.00 C ATOM 811 O VAL A 51 21.480 -1.322 3.850 1.00 0.00 O ATOM 812 CB VAL A 51 23.615 -1.949 6.375 1.00 0.00 C ATOM 813 CG1 VAL A 51 24.167 -0.707 5.687 1.00 0.00 C ATOM 814 CG2 VAL A 51 23.771 -1.833 7.886 1.00 0.00 C ATOM 0 H VAL A 51 22.273 -3.920 7.158 1.00 0.00 H new ATOM 0 HA VAL A 51 21.555 -1.339 6.383 1.00 0.00 H new ATOM 0 HB VAL A 51 24.187 -2.811 6.032 1.00 0.00 H new ATOM 0 HG11 VAL A 51 25.211 -0.568 5.969 1.00 0.00 H new ATOM 0 HG12 VAL A 51 24.097 -0.828 4.606 1.00 0.00 H new ATOM 0 HG13 VAL A 51 23.589 0.165 5.993 1.00 0.00 H new ATOM 0 HG21 VAL A 51 24.821 -1.672 8.132 1.00 0.00 H new ATOM 0 HG22 VAL A 51 23.180 -0.992 8.249 1.00 0.00 H new ATOM 0 HG23 VAL A 51 23.424 -2.752 8.359 1.00 0.00 H new ATOM 824 N ARG A 52 22.440 -3.361 3.896 1.00 0.00 N ATOM 825 CA ARG A 52 22.343 -3.563 2.453 1.00 0.00 C ATOM 826 C ARG A 52 20.886 -3.537 2.008 1.00 0.00 C ATOM 827 O ARG A 52 20.510 -2.777 1.119 1.00 0.00 O ATOM 828 CB ARG A 52 22.955 -4.907 2.037 1.00 0.00 C ATOM 829 CG ARG A 52 24.416 -5.080 2.408 1.00 0.00 C ATOM 830 CD ARG A 52 24.954 -6.397 1.870 1.00 0.00 C ATOM 831 NE ARG A 52 26.336 -6.644 2.278 1.00 0.00 N ATOM 832 CZ ARG A 52 27.125 -7.572 1.731 1.00 0.00 C ATOM 833 NH1 ARG A 52 26.677 -8.341 0.744 1.00 0.00 N ATOM 834 NH2 ARG A 52 28.364 -7.728 2.183 1.00 0.00 N ATOM 0 H ARG A 52 22.867 -4.136 4.403 1.00 0.00 H new ATOM 0 HA ARG A 52 22.895 -2.753 1.975 1.00 0.00 H new ATOM 0 HB2 ARG A 52 22.380 -5.711 2.497 1.00 0.00 H new ATOM 0 HB3 ARG A 52 22.853 -5.019 0.958 1.00 0.00 H new ATOM 0 HG2 ARG A 52 24.999 -4.252 2.006 1.00 0.00 H new ATOM 0 HG3 ARG A 52 24.527 -5.051 3.492 1.00 0.00 H new ATOM 0 HD2 ARG A 52 24.323 -7.214 2.220 1.00 0.00 H new ATOM 0 HD3 ARG A 52 24.895 -6.393 0.782 1.00 0.00 H new ATOM 0 HE ARG A 52 26.722 -6.071 3.028 1.00 0.00 H new ATOM 0 HH11 ARG A 52 25.724 -8.225 0.399 1.00 0.00 H new ATOM 0 HH12 ARG A 52 27.286 -9.048 0.331 1.00 0.00 H new ATOM 0 HH21 ARG A 52 28.707 -7.141 2.943 1.00 0.00 H new ATOM 0 HH22 ARG A 52 28.972 -8.435 1.770 1.00 0.00 H new ATOM 848 N GLN A 53 20.075 -4.361 2.655 1.00 0.00 N ATOM 849 CA GLN A 53 18.690 -4.563 2.260 1.00 0.00 C ATOM 850 C GLN A 53 17.887 -3.266 2.340 1.00 0.00 C ATOM 851 O GLN A 53 17.149 -2.933 1.419 1.00 0.00 O ATOM 852 CB GLN A 53 18.052 -5.639 3.146 1.00 0.00 C ATOM 853 CG GLN A 53 16.683 -6.107 2.669 1.00 0.00 C ATOM 854 CD GLN A 53 16.731 -6.775 1.305 1.00 0.00 C ATOM 855 OE1 GLN A 53 16.572 -6.122 0.273 1.00 0.00 O ATOM 856 NE2 GLN A 53 16.943 -8.082 1.290 1.00 0.00 N ATOM 0 H GLN A 53 20.359 -4.908 3.468 1.00 0.00 H new ATOM 0 HA GLN A 53 18.678 -4.892 1.221 1.00 0.00 H new ATOM 0 HB2 GLN A 53 18.721 -6.498 3.194 1.00 0.00 H new ATOM 0 HB3 GLN A 53 17.958 -5.251 4.160 1.00 0.00 H new ATOM 0 HG2 GLN A 53 16.269 -6.806 3.396 1.00 0.00 H new ATOM 0 HG3 GLN A 53 16.007 -5.253 2.627 1.00 0.00 H new ATOM 0 HE21 GLN A 53 17.070 -8.588 2.166 1.00 0.00 H new ATOM 0 HE22 GLN A 53 16.979 -8.583 0.402 1.00 0.00 H new ATOM 865 N HIS A 54 18.046 -2.529 3.432 1.00 0.00 N ATOM 866 CA HIS A 54 17.260 -1.321 3.659 1.00 0.00 C ATOM 867 C HIS A 54 17.611 -0.231 2.648 1.00 0.00 C ATOM 868 O HIS A 54 16.725 0.354 2.027 1.00 0.00 O ATOM 869 CB HIS A 54 17.475 -0.805 5.086 1.00 0.00 C ATOM 870 CG HIS A 54 16.611 0.371 5.442 1.00 0.00 C ATOM 871 ND1 HIS A 54 17.055 1.671 5.389 1.00 0.00 N ATOM 872 CD2 HIS A 54 15.323 0.437 5.864 1.00 0.00 C ATOM 873 CE1 HIS A 54 16.088 2.483 5.764 1.00 0.00 C ATOM 874 NE2 HIS A 54 15.022 1.763 6.055 1.00 0.00 N ATOM 0 H HIS A 54 18.711 -2.746 4.174 1.00 0.00 H new ATOM 0 HA HIS A 54 16.209 -1.578 3.528 1.00 0.00 H new ATOM 0 HB2 HIS A 54 17.278 -1.615 5.789 1.00 0.00 H new ATOM 0 HB3 HIS A 54 18.521 -0.525 5.207 1.00 0.00 H new ATOM 0 HD1 HIS A 54 17.990 1.962 5.103 1.00 0.00 H new ATOM 0 HD2 HIS A 54 14.658 -0.399 6.021 1.00 0.00 H new ATOM 0 HE1 HIS A 54 16.157 3.559 5.823 1.00 0.00 H new ATOM 883 N GLU A 55 18.899 0.018 2.471 1.00 0.00 N ATOM 884 CA GLU A 55 19.350 1.116 1.620 1.00 0.00 C ATOM 885 C GLU A 55 19.164 0.781 0.141 1.00 0.00 C ATOM 886 O GLU A 55 19.125 1.672 -0.708 1.00 0.00 O ATOM 887 CB GLU A 55 20.814 1.453 1.907 1.00 0.00 C ATOM 888 CG GLU A 55 21.088 1.821 3.359 1.00 0.00 C ATOM 889 CD GLU A 55 20.255 2.994 3.836 1.00 0.00 C ATOM 890 OE1 GLU A 55 19.127 2.770 4.318 1.00 0.00 O ATOM 891 OE2 GLU A 55 20.726 4.147 3.737 1.00 0.00 O ATOM 0 H GLU A 55 19.650 -0.521 2.902 1.00 0.00 H new ATOM 0 HA GLU A 55 18.738 1.988 1.850 1.00 0.00 H new ATOM 0 HB2 GLU A 55 21.434 0.598 1.636 1.00 0.00 H new ATOM 0 HB3 GLU A 55 21.118 2.282 1.268 1.00 0.00 H new ATOM 0 HG2 GLU A 55 20.886 0.957 3.992 1.00 0.00 H new ATOM 0 HG3 GLU A 55 22.145 2.061 3.475 1.00 0.00 H new ATOM 898 N ARG A 56 19.061 -0.506 -0.167 1.00 0.00 N ATOM 899 CA ARG A 56 18.826 -0.943 -1.537 1.00 0.00 C ATOM 900 C ARG A 56 17.327 -0.969 -1.821 1.00 0.00 C ATOM 901 O ARG A 56 16.890 -0.713 -2.942 1.00 0.00 O ATOM 902 CB ARG A 56 19.441 -2.330 -1.763 1.00 0.00 C ATOM 903 CG ARG A 56 19.612 -2.712 -3.226 1.00 0.00 C ATOM 904 CD ARG A 56 18.705 -3.869 -3.619 1.00 0.00 C ATOM 905 NE ARG A 56 17.327 -3.442 -3.862 1.00 0.00 N ATOM 906 CZ ARG A 56 16.246 -4.118 -3.471 1.00 0.00 C ATOM 907 NH1 ARG A 56 16.367 -5.233 -2.759 1.00 0.00 N ATOM 908 NH2 ARG A 56 15.039 -3.670 -3.788 1.00 0.00 N ATOM 0 H ARG A 56 19.136 -1.264 0.512 1.00 0.00 H new ATOM 0 HA ARG A 56 19.301 -0.241 -2.223 1.00 0.00 H new ATOM 0 HB2 ARG A 56 20.415 -2.366 -1.275 1.00 0.00 H new ATOM 0 HB3 ARG A 56 18.813 -3.076 -1.277 1.00 0.00 H new ATOM 0 HG2 ARG A 56 19.393 -1.849 -3.855 1.00 0.00 H new ATOM 0 HG3 ARG A 56 20.651 -2.986 -3.411 1.00 0.00 H new ATOM 0 HD2 ARG A 56 19.098 -4.346 -4.517 1.00 0.00 H new ATOM 0 HD3 ARG A 56 18.716 -4.620 -2.829 1.00 0.00 H new ATOM 0 HE ARG A 56 17.183 -2.567 -4.365 1.00 0.00 H new ATOM 0 HH11 ARG A 56 17.293 -5.579 -2.507 1.00 0.00 H new ATOM 0 HH12 ARG A 56 15.534 -5.743 -2.465 1.00 0.00 H new ATOM 0 HH21 ARG A 56 14.940 -2.811 -4.329 1.00 0.00 H new ATOM 0 HH22 ARG A 56 14.210 -4.184 -3.491 1.00 0.00 H new ATOM 922 N ASP A 57 16.548 -1.274 -0.788 1.00 0.00 N ATOM 923 CA ASP A 57 15.096 -1.346 -0.906 1.00 0.00 C ATOM 924 C ASP A 57 14.507 0.037 -1.151 1.00 0.00 C ATOM 925 O ASP A 57 13.730 0.237 -2.087 1.00 0.00 O ATOM 926 CB ASP A 57 14.490 -1.951 0.363 1.00 0.00 C ATOM 927 CG ASP A 57 12.987 -2.115 0.279 1.00 0.00 C ATOM 928 OD1 ASP A 57 12.528 -3.126 -0.297 1.00 0.00 O ATOM 929 OD2 ASP A 57 12.260 -1.248 0.800 1.00 0.00 O ATOM 0 H ASP A 57 16.902 -1.477 0.147 1.00 0.00 H new ATOM 0 HA ASP A 57 14.854 -1.984 -1.756 1.00 0.00 H new ATOM 0 HB2 ASP A 57 14.946 -2.923 0.550 1.00 0.00 H new ATOM 0 HB3 ASP A 57 14.734 -1.316 1.214 1.00 0.00 H new ATOM 934 N THR A 58 14.881 0.989 -0.309 1.00 0.00 N ATOM 935 CA THR A 58 14.411 2.355 -0.453 1.00 0.00 C ATOM 936 C THR A 58 15.226 3.086 -1.523 1.00 0.00 C ATOM 937 O THR A 58 16.139 3.855 -1.217 1.00 0.00 O ATOM 938 CB THR A 58 14.495 3.113 0.888 1.00 0.00 C ATOM 939 OG1 THR A 58 13.931 2.304 1.931 1.00 0.00 O ATOM 940 CG2 THR A 58 13.746 4.437 0.816 1.00 0.00 C ATOM 0 H THR A 58 15.509 0.839 0.481 1.00 0.00 H new ATOM 0 HA THR A 58 13.366 2.323 -0.762 1.00 0.00 H new ATOM 0 HB THR A 58 15.544 3.320 1.100 1.00 0.00 H new ATOM 0 HG1 THR A 58 13.986 2.784 2.783 1.00 0.00 H new ATOM 0 HG21 THR A 58 13.822 4.950 1.775 1.00 0.00 H new ATOM 0 HG22 THR A 58 14.183 5.060 0.035 1.00 0.00 H new ATOM 0 HG23 THR A 58 12.697 4.250 0.586 1.00 0.00 H new ATOM 948 N GLY A 59 14.898 2.814 -2.778 1.00 0.00 N ATOM 949 CA GLY A 59 15.631 3.381 -3.888 1.00 0.00 C ATOM 950 C GLY A 59 15.978 2.324 -4.914 1.00 0.00 C ATOM 951 O GLY A 59 15.087 1.736 -5.529 1.00 0.00 O ATOM 0 H GLY A 59 14.127 2.203 -3.048 1.00 0.00 H new ATOM 0 HA2 GLY A 59 15.036 4.165 -4.357 1.00 0.00 H new ATOM 0 HA3 GLY A 59 16.545 3.850 -3.522 1.00 0.00 H new ATOM 955 N GLY A 60 17.267 2.073 -5.091 1.00 0.00 N ATOM 956 CA GLY A 60 17.695 1.023 -5.991 1.00 0.00 C ATOM 957 C GLY A 60 18.518 1.543 -7.150 1.00 0.00 C ATOM 958 O GLY A 60 18.808 2.741 -7.236 1.00 0.00 O ATOM 0 H GLY A 60 18.023 2.577 -4.628 1.00 0.00 H new ATOM 0 HA2 GLY A 60 18.281 0.291 -5.435 1.00 0.00 H new ATOM 0 HA3 GLY A 60 16.819 0.503 -6.378 1.00 0.00 H new ATOM 962 N ASP A 61 18.896 0.638 -8.041 1.00 0.00 N ATOM 963 CA ASP A 61 19.682 0.991 -9.216 1.00 0.00 C ATOM 964 C ASP A 61 18.783 0.986 -10.451 1.00 0.00 C ATOM 965 O ASP A 61 17.801 0.244 -10.500 1.00 0.00 O ATOM 966 CB ASP A 61 20.839 0.003 -9.384 1.00 0.00 C ATOM 967 CG ASP A 61 21.794 0.392 -10.495 1.00 0.00 C ATOM 968 OD1 ASP A 61 22.660 1.263 -10.263 1.00 0.00 O ATOM 969 OD2 ASP A 61 21.699 -0.182 -11.600 1.00 0.00 O ATOM 0 H ASP A 61 18.669 -0.354 -7.972 1.00 0.00 H new ATOM 0 HA ASP A 61 20.099 1.990 -9.091 1.00 0.00 H new ATOM 0 HB2 ASP A 61 21.390 -0.065 -8.446 1.00 0.00 H new ATOM 0 HB3 ASP A 61 20.436 -0.989 -9.590 1.00 0.00 H new ATOM 974 N ASP A 62 19.107 1.819 -11.437 1.00 0.00 N ATOM 975 CA ASP A 62 18.273 1.945 -12.631 1.00 0.00 C ATOM 976 C ASP A 62 18.322 0.669 -13.464 1.00 0.00 C ATOM 977 O ASP A 62 17.307 -0.005 -13.650 1.00 0.00 O ATOM 978 CB ASP A 62 18.716 3.139 -13.479 1.00 0.00 C ATOM 979 CG ASP A 62 17.775 3.397 -14.639 1.00 0.00 C ATOM 980 OD1 ASP A 62 16.797 4.153 -14.458 1.00 0.00 O ATOM 981 OD2 ASP A 62 18.006 2.850 -15.738 1.00 0.00 O ATOM 0 H ASP A 62 19.936 2.414 -11.434 1.00 0.00 H new ATOM 0 HA ASP A 62 17.246 2.109 -12.304 1.00 0.00 H new ATOM 0 HB2 ASP A 62 18.769 4.029 -12.851 1.00 0.00 H new ATOM 0 HB3 ASP A 62 19.721 2.958 -13.861 1.00 0.00 H new ATOM 986 N GLY A 63 19.506 0.338 -13.956 1.00 0.00 N ATOM 987 CA GLY A 63 19.679 -0.886 -14.712 1.00 0.00 C ATOM 988 C GLY A 63 19.718 -0.658 -16.208 1.00 0.00 C ATOM 989 O GLY A 63 19.805 -1.614 -16.984 1.00 0.00 O ATOM 0 H GLY A 63 20.353 0.896 -13.845 1.00 0.00 H new ATOM 0 HA2 GLY A 63 20.604 -1.371 -14.400 1.00 0.00 H new ATOM 0 HA3 GLY A 63 18.864 -1.570 -14.476 1.00 0.00 H new ATOM 993 N GLY A 64 19.652 0.596 -16.621 1.00 0.00 N ATOM 994 CA GLY A 64 19.697 0.912 -18.032 1.00 0.00 C ATOM 995 C GLY A 64 20.633 2.061 -18.335 1.00 0.00 C ATOM 996 O GLY A 64 20.958 2.853 -17.451 1.00 0.00 O ATOM 0 H GLY A 64 19.568 1.403 -16.003 1.00 0.00 H new ATOM 0 HA2 GLY A 64 20.015 0.031 -18.589 1.00 0.00 H new ATOM 0 HA3 GLY A 64 18.694 1.163 -18.378 1.00 0.00 H new ATOM 1000 N LEU A 65 21.084 2.136 -19.579 1.00 0.00 N ATOM 1001 CA LEU A 65 21.926 3.240 -20.026 1.00 0.00 C ATOM 1002 C LEU A 65 21.070 4.482 -20.242 1.00 0.00 C ATOM 1003 O LEU A 65 21.279 5.518 -19.611 1.00 0.00 O ATOM 1004 CB LEU A 65 22.657 2.866 -21.320 1.00 0.00 C ATOM 1005 CG LEU A 65 23.498 3.980 -21.950 1.00 0.00 C ATOM 1006 CD1 LEU A 65 24.631 4.395 -21.020 1.00 0.00 C ATOM 1007 CD2 LEU A 65 24.042 3.531 -23.299 1.00 0.00 C ATOM 0 H LEU A 65 20.881 1.444 -20.300 1.00 0.00 H new ATOM 0 HA LEU A 65 22.672 3.450 -19.260 1.00 0.00 H new ATOM 0 HB2 LEU A 65 23.307 2.015 -21.116 1.00 0.00 H new ATOM 0 HB3 LEU A 65 21.919 2.535 -22.051 1.00 0.00 H new ATOM 0 HG LEU A 65 22.859 4.849 -22.107 1.00 0.00 H new ATOM 0 HD11 LEU A 65 25.215 5.187 -21.489 1.00 0.00 H new ATOM 0 HD12 LEU A 65 24.216 4.758 -20.080 1.00 0.00 H new ATOM 0 HD13 LEU A 65 25.275 3.537 -20.825 1.00 0.00 H new ATOM 0 HD21 LEU A 65 24.638 4.332 -23.736 1.00 0.00 H new ATOM 0 HD22 LEU A 65 24.666 2.647 -23.164 1.00 0.00 H new ATOM 0 HD23 LEU A 65 23.213 3.292 -23.964 1.00 0.00 H new ATOM 1019 N THR A 66 20.111 4.365 -21.143 1.00 0.00 N ATOM 1020 CA THR A 66 19.146 5.422 -21.394 1.00 0.00 C ATOM 1021 C THR A 66 17.744 4.824 -21.311 1.00 0.00 C ATOM 1022 O THR A 66 16.781 5.330 -21.893 1.00 0.00 O ATOM 1023 CB THR A 66 19.374 6.049 -22.785 1.00 0.00 C ATOM 1024 OG1 THR A 66 20.783 6.181 -23.034 1.00 0.00 O ATOM 1025 CG2 THR A 66 18.718 7.421 -22.881 1.00 0.00 C ATOM 0 H THR A 66 19.979 3.535 -21.721 1.00 0.00 H new ATOM 0 HA THR A 66 19.264 6.209 -20.649 1.00 0.00 H new ATOM 0 HB THR A 66 18.924 5.393 -23.530 1.00 0.00 H new ATOM 0 HG1 THR A 66 20.923 6.578 -23.919 1.00 0.00 H new ATOM 0 HG21 THR A 66 18.894 7.840 -23.872 1.00 0.00 H new ATOM 0 HG22 THR A 66 17.645 7.324 -22.714 1.00 0.00 H new ATOM 0 HG23 THR A 66 19.145 8.082 -22.126 1.00 0.00 H new ATOM 1033 N THR A 67 17.657 3.735 -20.550 1.00 0.00 N ATOM 1034 CA THR A 67 16.452 2.933 -20.447 1.00 0.00 C ATOM 1035 C THR A 67 16.123 2.302 -21.802 1.00 0.00 C ATOM 1036 O THR A 67 16.669 1.246 -22.132 1.00 0.00 O ATOM 1037 CB THR A 67 15.257 3.756 -19.914 1.00 0.00 C ATOM 1038 OG1 THR A 67 15.651 4.457 -18.725 1.00 0.00 O ATOM 1039 CG2 THR A 67 14.068 2.857 -19.597 1.00 0.00 C ATOM 0 H THR A 67 18.431 3.386 -19.985 1.00 0.00 H new ATOM 0 HA THR A 67 16.638 2.138 -19.725 1.00 0.00 H new ATOM 0 HB THR A 67 14.958 4.464 -20.687 1.00 0.00 H new ATOM 0 HG1 THR A 67 14.894 4.980 -18.388 1.00 0.00 H new ATOM 0 HG21 THR A 67 13.243 3.463 -19.224 1.00 0.00 H new ATOM 0 HG22 THR A 67 13.755 2.335 -20.501 1.00 0.00 H new ATOM 0 HG23 THR A 67 14.355 2.129 -18.838 1.00 0.00 H new ATOM 1047 N ALA A 68 15.287 2.985 -22.590 1.00 0.00 N ATOM 1048 CA ALA A 68 14.870 2.538 -23.922 1.00 0.00 C ATOM 1049 C ALA A 68 13.693 3.378 -24.386 1.00 0.00 C ATOM 1050 O ALA A 68 13.816 4.217 -25.276 1.00 0.00 O ATOM 1051 CB ALA A 68 14.465 1.068 -23.927 1.00 0.00 C ATOM 0 H ALA A 68 14.875 3.877 -22.316 1.00 0.00 H new ATOM 0 HA ALA A 68 15.719 2.657 -24.596 1.00 0.00 H new ATOM 0 HB1 ALA A 68 14.163 0.777 -24.933 1.00 0.00 H new ATOM 0 HB2 ALA A 68 15.310 0.457 -23.611 1.00 0.00 H new ATOM 0 HB3 ALA A 68 13.632 0.918 -23.240 1.00 0.00 H new ATOM 1057 N GLU A 69 12.553 3.151 -23.747 1.00 0.00 N ATOM 1058 CA GLU A 69 11.335 3.879 -24.036 1.00 0.00 C ATOM 1059 C GLU A 69 10.440 3.853 -22.801 1.00 0.00 C ATOM 1060 O GLU A 69 10.300 2.811 -22.156 1.00 0.00 O ATOM 1061 CB GLU A 69 10.611 3.256 -25.234 1.00 0.00 C ATOM 1062 CG GLU A 69 9.407 4.058 -25.705 1.00 0.00 C ATOM 1063 CD GLU A 69 9.778 5.457 -26.149 1.00 0.00 C ATOM 1064 OE1 GLU A 69 10.211 5.620 -27.308 1.00 0.00 O ATOM 1065 OE2 GLU A 69 9.643 6.398 -25.340 1.00 0.00 O ATOM 0 H GLU A 69 12.452 2.452 -23.011 1.00 0.00 H new ATOM 0 HA GLU A 69 11.578 4.911 -24.289 1.00 0.00 H new ATOM 0 HB2 GLU A 69 11.315 3.155 -26.060 1.00 0.00 H new ATOM 0 HB3 GLU A 69 10.285 2.251 -24.968 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.926 3.534 -26.531 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.677 4.118 -24.898 1.00 0.00 H new ATOM 1072 N ARG A 70 9.873 4.997 -22.456 1.00 0.00 N ATOM 1073 CA ARG A 70 8.994 5.098 -21.301 1.00 0.00 C ATOM 1074 C ARG A 70 7.805 4.152 -21.440 1.00 0.00 C ATOM 1075 O ARG A 70 7.570 3.315 -20.571 1.00 0.00 O ATOM 1076 CB ARG A 70 8.532 6.545 -21.118 1.00 0.00 C ATOM 1077 CG ARG A 70 7.518 6.738 -20.003 1.00 0.00 C ATOM 1078 CD ARG A 70 7.448 8.192 -19.557 1.00 0.00 C ATOM 1079 NE ARG A 70 7.377 9.119 -20.685 1.00 0.00 N ATOM 1080 CZ ARG A 70 6.349 9.935 -20.915 1.00 0.00 C ATOM 1081 NH1 ARG A 70 5.272 9.886 -20.145 1.00 0.00 N ATOM 1082 NH2 ARG A 70 6.392 10.784 -21.931 1.00 0.00 N ATOM 0 H ARG A 70 10.006 5.873 -22.961 1.00 0.00 H new ATOM 0 HA ARG A 70 9.549 4.800 -20.411 1.00 0.00 H new ATOM 0 HB2 ARG A 70 9.402 7.170 -20.915 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.098 6.897 -22.054 1.00 0.00 H new ATOM 0 HG2 ARG A 70 6.535 6.413 -20.344 1.00 0.00 H new ATOM 0 HG3 ARG A 70 7.785 6.109 -19.154 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.575 8.332 -18.920 1.00 0.00 H new ATOM 0 HD3 ARG A 70 8.324 8.426 -18.953 1.00 0.00 H new ATOM 0 HE ARG A 70 8.162 9.143 -21.336 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.227 9.222 -19.372 1.00 0.00 H new ATOM 0 HH12 ARG A 70 4.488 10.513 -20.325 1.00 0.00 H new ATOM 0 HH21 ARG A 70 7.212 10.813 -22.537 1.00 0.00 H new ATOM 0 HH22 ARG A 70 5.605 11.409 -22.107 1.00 0.00 H new ATOM 1096 N GLN A 71 7.072 4.270 -22.535 1.00 0.00 N ATOM 1097 CA GLN A 71 5.977 3.350 -22.805 1.00 0.00 C ATOM 1098 C GLN A 71 6.381 2.341 -23.870 1.00 0.00 C ATOM 1099 O GLN A 71 6.299 2.613 -25.072 1.00 0.00 O ATOM 1100 CB GLN A 71 4.712 4.094 -23.230 1.00 0.00 C ATOM 1101 CG GLN A 71 4.112 4.955 -22.130 1.00 0.00 C ATOM 1102 CD GLN A 71 2.786 5.564 -22.531 1.00 0.00 C ATOM 1103 OE1 GLN A 71 2.038 4.991 -23.322 1.00 0.00 O ATOM 1104 NE2 GLN A 71 2.471 6.719 -21.968 1.00 0.00 N ATOM 0 H GLN A 71 7.213 4.987 -23.247 1.00 0.00 H new ATOM 0 HA GLN A 71 5.755 2.818 -21.880 1.00 0.00 H new ATOM 0 HB2 GLN A 71 4.943 4.725 -24.088 1.00 0.00 H new ATOM 0 HB3 GLN A 71 3.968 3.369 -23.559 1.00 0.00 H new ATOM 0 HG2 GLN A 71 3.974 4.350 -21.234 1.00 0.00 H new ATOM 0 HG3 GLN A 71 4.811 5.751 -21.873 1.00 0.00 H new ATOM 0 HE21 GLN A 71 3.119 7.162 -21.317 1.00 0.00 H new ATOM 0 HE22 GLN A 71 1.580 7.166 -22.185 1.00 0.00 H new ATOM 1113 N ARG A 72 6.842 1.192 -23.413 1.00 0.00 N ATOM 1114 CA ARG A 72 7.234 0.107 -24.293 1.00 0.00 C ATOM 1115 C ARG A 72 6.007 -0.739 -24.623 1.00 0.00 C ATOM 1116 O ARG A 72 5.553 -1.537 -23.805 1.00 0.00 O ATOM 1117 CB ARG A 72 8.319 -0.734 -23.615 1.00 0.00 C ATOM 1118 CG ARG A 72 8.767 -1.948 -24.407 1.00 0.00 C ATOM 1119 CD ARG A 72 9.755 -2.779 -23.603 1.00 0.00 C ATOM 1120 NE ARG A 72 9.243 -3.083 -22.267 1.00 0.00 N ATOM 1121 CZ ARG A 72 8.498 -4.145 -21.977 1.00 0.00 C ATOM 1122 NH1 ARG A 72 8.143 -4.989 -22.937 1.00 0.00 N ATOM 1123 NH2 ARG A 72 8.098 -4.355 -20.730 1.00 0.00 N ATOM 0 H ARG A 72 6.955 0.984 -22.421 1.00 0.00 H new ATOM 0 HA ARG A 72 7.642 0.504 -25.223 1.00 0.00 H new ATOM 0 HB2 ARG A 72 9.186 -0.100 -23.426 1.00 0.00 H new ATOM 0 HB3 ARG A 72 7.949 -1.066 -22.645 1.00 0.00 H new ATOM 0 HG2 ARG A 72 7.902 -2.556 -24.670 1.00 0.00 H new ATOM 0 HG3 ARG A 72 9.228 -1.629 -25.342 1.00 0.00 H new ATOM 0 HD2 ARG A 72 9.965 -3.708 -24.133 1.00 0.00 H new ATOM 0 HD3 ARG A 72 10.699 -2.241 -23.517 1.00 0.00 H new ATOM 0 HE ARG A 72 9.472 -2.439 -21.510 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.442 -4.823 -23.898 1.00 0.00 H new ATOM 0 HH12 ARG A 72 7.571 -5.804 -22.714 1.00 0.00 H new ATOM 0 HH21 ARG A 72 8.362 -3.701 -19.993 1.00 0.00 H new ATOM 0 HH22 ARG A 72 7.526 -5.170 -20.508 1.00 0.00 H new ATOM 1137 N LEU A 73 5.470 -0.552 -25.821 1.00 0.00 N ATOM 1138 CA LEU A 73 4.173 -1.121 -26.175 1.00 0.00 C ATOM 1139 C LEU A 73 4.309 -2.422 -26.965 1.00 0.00 C ATOM 1140 O LEU A 73 3.382 -2.829 -27.664 1.00 0.00 O ATOM 1141 CB LEU A 73 3.369 -0.101 -26.988 1.00 0.00 C ATOM 1142 CG LEU A 73 3.079 1.225 -26.273 1.00 0.00 C ATOM 1143 CD1 LEU A 73 2.334 2.173 -27.196 1.00 0.00 C ATOM 1144 CD2 LEU A 73 2.277 0.985 -25.005 1.00 0.00 C ATOM 0 H LEU A 73 5.911 -0.011 -26.565 1.00 0.00 H new ATOM 0 HA LEU A 73 3.651 -1.356 -25.247 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.911 0.113 -27.909 1.00 0.00 H new ATOM 0 HB3 LEU A 73 2.421 -0.556 -27.274 1.00 0.00 H new ATOM 0 HG LEU A 73 4.030 1.681 -25.999 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.136 3.109 -26.673 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.940 2.372 -28.080 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.390 1.720 -27.498 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.082 1.937 -24.512 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.331 0.506 -25.258 1.00 0.00 H new ATOM 0 HD23 LEU A 73 2.842 0.339 -24.334 1.00 0.00 H new ATOM 1156 N LYS A 74 5.444 -3.089 -26.840 1.00 0.00 N ATOM 1157 CA LYS A 74 5.658 -4.339 -27.558 1.00 0.00 C ATOM 1158 C LYS A 74 6.373 -5.371 -26.695 1.00 0.00 C ATOM 1159 O LYS A 74 7.167 -5.019 -25.816 1.00 0.00 O ATOM 1160 CB LYS A 74 6.456 -4.095 -28.840 1.00 0.00 C ATOM 1161 CG LYS A 74 7.803 -3.433 -28.602 1.00 0.00 C ATOM 1162 CD LYS A 74 8.611 -3.354 -29.886 1.00 0.00 C ATOM 1163 CE LYS A 74 9.930 -2.631 -29.669 1.00 0.00 C ATOM 1164 NZ LYS A 74 10.768 -2.624 -30.896 1.00 0.00 N ATOM 0 H LYS A 74 6.225 -2.792 -26.255 1.00 0.00 H new ATOM 0 HA LYS A 74 4.675 -4.735 -27.815 1.00 0.00 H new ATOM 0 HB2 LYS A 74 6.613 -5.047 -29.347 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.867 -3.470 -29.511 1.00 0.00 H new ATOM 0 HG2 LYS A 74 7.653 -2.430 -28.202 1.00 0.00 H new ATOM 0 HG3 LYS A 74 8.360 -3.995 -27.853 1.00 0.00 H new ATOM 0 HD2 LYS A 74 8.803 -4.360 -30.259 1.00 0.00 H new ATOM 0 HD3 LYS A 74 8.032 -2.836 -30.650 1.00 0.00 H new ATOM 0 HE2 LYS A 74 9.734 -1.605 -29.358 1.00 0.00 H new ATOM 0 HE3 LYS A 74 10.478 -3.111 -28.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 11.658 -2.121 -30.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 10.977 -3.603 -31.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 10.256 -2.143 -31.663 1.00 0.00 H new ATOM 1178 N GLU A 75 6.055 -6.642 -26.960 1.00 0.00 N ATOM 1179 CA GLU A 75 6.711 -7.796 -26.340 1.00 0.00 C ATOM 1180 C GLU A 75 6.427 -7.906 -24.841 1.00 0.00 C ATOM 1181 O GLU A 75 6.842 -7.062 -24.049 1.00 0.00 O ATOM 1182 CB GLU A 75 8.223 -7.757 -26.593 1.00 0.00 C ATOM 1183 CG GLU A 75 8.596 -7.802 -28.069 1.00 0.00 C ATOM 1184 CD GLU A 75 8.132 -9.072 -28.756 1.00 0.00 C ATOM 1185 OE1 GLU A 75 6.932 -9.177 -29.083 1.00 0.00 O ATOM 1186 OE2 GLU A 75 8.967 -9.968 -28.988 1.00 0.00 O ATOM 0 H GLU A 75 5.323 -6.901 -27.622 1.00 0.00 H new ATOM 0 HA GLU A 75 6.288 -8.684 -26.810 1.00 0.00 H new ATOM 0 HB2 GLU A 75 8.634 -6.849 -26.151 1.00 0.00 H new ATOM 0 HB3 GLU A 75 8.690 -8.600 -26.083 1.00 0.00 H new ATOM 0 HG2 GLU A 75 8.160 -6.941 -28.575 1.00 0.00 H new ATOM 0 HG3 GLU A 75 9.678 -7.716 -28.168 1.00 0.00 H new ATOM 1193 N PRO A 76 5.705 -8.960 -24.433 1.00 0.00 N ATOM 1194 CA PRO A 76 5.468 -9.253 -23.017 1.00 0.00 C ATOM 1195 C PRO A 76 6.778 -9.562 -22.291 1.00 0.00 C ATOM 1196 O PRO A 76 7.423 -10.582 -22.557 1.00 0.00 O ATOM 1197 CB PRO A 76 4.560 -10.491 -23.041 1.00 0.00 C ATOM 1198 CG PRO A 76 4.008 -10.544 -24.427 1.00 0.00 C ATOM 1199 CD PRO A 76 5.056 -9.941 -25.314 1.00 0.00 C ATOM 0 HA PRO A 76 5.023 -8.410 -22.488 1.00 0.00 H new ATOM 0 HB2 PRO A 76 5.121 -11.395 -22.806 1.00 0.00 H new ATOM 0 HB3 PRO A 76 3.763 -10.409 -22.302 1.00 0.00 H new ATOM 0 HG2 PRO A 76 3.792 -11.571 -24.722 1.00 0.00 H new ATOM 0 HG3 PRO A 76 3.072 -9.989 -24.496 1.00 0.00 H new ATOM 0 HD2 PRO A 76 5.761 -10.690 -25.673 1.00 0.00 H new ATOM 0 HD3 PRO A 76 4.618 -9.468 -26.193 1.00 0.00 H new ATOM 1207 N GLU A 77 7.170 -8.674 -21.391 1.00 0.00 N ATOM 1208 CA GLU A 77 8.445 -8.795 -20.702 1.00 0.00 C ATOM 1209 C GLU A 77 8.217 -8.980 -19.204 1.00 0.00 C ATOM 1210 O GLU A 77 7.194 -8.557 -18.660 1.00 0.00 O ATOM 1211 CB GLU A 77 9.297 -7.544 -20.970 1.00 0.00 C ATOM 1212 CG GLU A 77 10.786 -7.812 -21.165 1.00 0.00 C ATOM 1213 CD GLU A 77 11.500 -8.190 -19.881 1.00 0.00 C ATOM 1214 OE1 GLU A 77 11.983 -7.281 -19.176 1.00 0.00 O ATOM 1215 OE2 GLU A 77 11.571 -9.397 -19.566 1.00 0.00 O ATOM 0 H GLU A 77 6.621 -7.858 -21.120 1.00 0.00 H new ATOM 0 HA GLU A 77 8.977 -9.669 -21.077 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.913 -7.044 -21.859 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.173 -6.852 -20.137 1.00 0.00 H new ATOM 0 HG2 GLU A 77 10.912 -8.614 -21.892 1.00 0.00 H new ATOM 0 HG3 GLU A 77 11.256 -6.923 -21.586 1.00 0.00 H new ATOM 1222 N ARG A 78 9.171 -9.615 -18.556 1.00 0.00 N ATOM 1223 CA ARG A 78 9.117 -9.861 -17.129 1.00 0.00 C ATOM 1224 C ARG A 78 10.128 -8.962 -16.414 1.00 0.00 C ATOM 1225 O ARG A 78 9.759 -7.985 -15.768 1.00 0.00 O ATOM 1226 CB ARG A 78 9.425 -11.336 -16.851 1.00 0.00 C ATOM 1227 CG ARG A 78 9.492 -11.695 -15.378 1.00 0.00 C ATOM 1228 CD ARG A 78 10.053 -13.094 -15.182 1.00 0.00 C ATOM 1229 NE ARG A 78 11.381 -13.244 -15.788 1.00 0.00 N ATOM 1230 CZ ARG A 78 12.467 -13.648 -15.128 1.00 0.00 C ATOM 1231 NH1 ARG A 78 12.403 -13.922 -13.831 1.00 0.00 N ATOM 1232 NH2 ARG A 78 13.619 -13.769 -15.768 1.00 0.00 N ATOM 0 H ARG A 78 10.011 -9.977 -19.007 1.00 0.00 H new ATOM 0 HA ARG A 78 8.119 -9.633 -16.756 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.661 -11.950 -17.328 1.00 0.00 H new ATOM 0 HB3 ARG A 78 10.376 -11.590 -17.318 1.00 0.00 H new ATOM 0 HG2 ARG A 78 10.116 -10.972 -14.852 1.00 0.00 H new ATOM 0 HG3 ARG A 78 8.496 -11.634 -14.940 1.00 0.00 H new ATOM 0 HD2 ARG A 78 10.114 -13.314 -14.116 1.00 0.00 H new ATOM 0 HD3 ARG A 78 9.371 -13.823 -15.619 1.00 0.00 H new ATOM 0 HE ARG A 78 11.480 -13.025 -16.779 1.00 0.00 H new ATOM 0 HH11 ARG A 78 11.519 -13.824 -13.332 1.00 0.00 H new ATOM 0 HH12 ARG A 78 13.238 -14.231 -13.333 1.00 0.00 H new ATOM 0 HH21 ARG A 78 13.674 -13.553 -16.763 1.00 0.00 H new ATOM 0 HH22 ARG A 78 14.451 -14.078 -15.266 1.00 0.00 H new ATOM 1246 N GLU A 79 11.401 -9.307 -16.582 1.00 0.00 N ATOM 1247 CA GLU A 79 12.534 -8.600 -15.983 1.00 0.00 C ATOM 1248 C GLU A 79 13.818 -9.126 -16.611 1.00 0.00 C ATOM 1249 O GLU A 79 14.883 -9.120 -15.985 1.00 0.00 O ATOM 1250 CB GLU A 79 12.588 -8.806 -14.461 1.00 0.00 C ATOM 1251 CG GLU A 79 11.806 -7.776 -13.658 1.00 0.00 C ATOM 1252 CD GLU A 79 12.371 -6.371 -13.782 1.00 0.00 C ATOM 1253 OE1 GLU A 79 12.052 -5.675 -14.772 1.00 0.00 O ATOM 1254 OE2 GLU A 79 13.126 -5.948 -12.880 1.00 0.00 O ATOM 0 H GLU A 79 11.683 -10.105 -17.152 1.00 0.00 H new ATOM 0 HA GLU A 79 12.419 -7.532 -16.170 1.00 0.00 H new ATOM 0 HB2 GLU A 79 12.204 -9.799 -14.227 1.00 0.00 H new ATOM 0 HB3 GLU A 79 13.630 -8.784 -14.140 1.00 0.00 H new ATOM 0 HG2 GLU A 79 10.768 -7.775 -13.992 1.00 0.00 H new ATOM 0 HG3 GLU A 79 11.803 -8.069 -12.608 1.00 0.00 H new ATOM 1261 N ASN A 80 13.703 -9.572 -17.859 1.00 0.00 N ATOM 1262 CA ASN A 80 14.795 -10.253 -18.539 1.00 0.00 C ATOM 1263 C ASN A 80 15.856 -9.261 -18.992 1.00 0.00 C ATOM 1264 O ASN A 80 15.800 -8.723 -20.099 1.00 0.00 O ATOM 1265 CB ASN A 80 14.277 -11.058 -19.739 1.00 0.00 C ATOM 1266 CG ASN A 80 13.331 -12.177 -19.340 1.00 0.00 C ATOM 1267 OD1 ASN A 80 13.422 -12.727 -18.241 1.00 0.00 O ATOM 1268 ND2 ASN A 80 12.416 -12.527 -20.228 1.00 0.00 N ATOM 0 H ASN A 80 12.858 -9.472 -18.421 1.00 0.00 H new ATOM 0 HA ASN A 80 15.248 -10.944 -17.828 1.00 0.00 H new ATOM 0 HB2 ASN A 80 13.765 -10.385 -20.427 1.00 0.00 H new ATOM 0 HB3 ASN A 80 15.124 -11.481 -20.278 1.00 0.00 H new ATOM 0 HD21 ASN A 80 11.756 -13.274 -20.013 1.00 0.00 H new ATOM 0 HD22 ASN A 80 12.370 -12.050 -21.128 1.00 0.00 H new ATOM 1275 N ARG A 81 16.808 -9.005 -18.110 1.00 0.00 N ATOM 1276 CA ARG A 81 17.923 -8.120 -18.409 1.00 0.00 C ATOM 1277 C ARG A 81 19.166 -8.958 -18.693 1.00 0.00 C ATOM 1278 O ARG A 81 20.285 -8.448 -18.760 1.00 0.00 O ATOM 1279 CB ARG A 81 18.167 -7.171 -17.230 1.00 0.00 C ATOM 1280 CG ARG A 81 19.084 -6.001 -17.556 1.00 0.00 C ATOM 1281 CD ARG A 81 19.273 -5.091 -16.356 1.00 0.00 C ATOM 1282 NE ARG A 81 19.964 -5.760 -15.255 1.00 0.00 N ATOM 1283 CZ ARG A 81 20.190 -5.188 -14.073 1.00 0.00 C ATOM 1284 NH1 ARG A 81 19.676 -3.995 -13.807 1.00 0.00 N ATOM 1285 NH2 ARG A 81 20.891 -5.823 -13.141 1.00 0.00 N ATOM 0 H ARG A 81 16.831 -9.402 -17.171 1.00 0.00 H new ATOM 0 HA ARG A 81 17.692 -7.519 -19.289 1.00 0.00 H new ATOM 0 HB2 ARG A 81 17.209 -6.783 -16.885 1.00 0.00 H new ATOM 0 HB3 ARG A 81 18.597 -7.737 -16.404 1.00 0.00 H new ATOM 0 HG2 ARG A 81 20.053 -6.377 -17.885 1.00 0.00 H new ATOM 0 HG3 ARG A 81 18.666 -5.430 -18.385 1.00 0.00 H new ATOM 0 HD2 ARG A 81 19.841 -4.210 -16.657 1.00 0.00 H new ATOM 0 HD3 ARG A 81 18.300 -4.741 -16.012 1.00 0.00 H new ATOM 0 HE ARG A 81 20.290 -6.715 -15.399 1.00 0.00 H new ATOM 0 HH11 ARG A 81 19.109 -3.517 -14.507 1.00 0.00 H new ATOM 0 HH12 ARG A 81 19.848 -3.556 -12.903 1.00 0.00 H new ATOM 0 HH21 ARG A 81 21.261 -6.755 -13.328 1.00 0.00 H new ATOM 0 HH22 ARG A 81 21.060 -5.379 -12.239 1.00 0.00 H new ATOM 1299 N GLU A 82 18.949 -10.256 -18.858 1.00 0.00 N ATOM 1300 CA GLU A 82 20.030 -11.194 -19.119 1.00 0.00 C ATOM 1301 C GLU A 82 20.560 -11.012 -20.539 1.00 0.00 C ATOM 1302 O GLU A 82 19.805 -10.678 -21.453 1.00 0.00 O ATOM 1303 CB GLU A 82 19.544 -12.631 -18.897 1.00 0.00 C ATOM 1304 CG GLU A 82 18.325 -13.012 -19.727 1.00 0.00 C ATOM 1305 CD GLU A 82 17.780 -14.381 -19.365 1.00 0.00 C ATOM 1306 OE1 GLU A 82 18.471 -15.389 -19.619 1.00 0.00 O ATOM 1307 OE2 GLU A 82 16.669 -14.456 -18.802 1.00 0.00 O ATOM 0 H GLU A 82 18.025 -10.685 -18.815 1.00 0.00 H new ATOM 0 HA GLU A 82 20.847 -10.995 -18.425 1.00 0.00 H new ATOM 0 HB2 GLU A 82 20.358 -13.318 -19.130 1.00 0.00 H new ATOM 0 HB3 GLU A 82 19.307 -12.764 -17.841 1.00 0.00 H new ATOM 0 HG2 GLU A 82 17.545 -12.265 -19.585 1.00 0.00 H new ATOM 0 HG3 GLU A 82 18.591 -12.998 -20.784 1.00 0.00 H new ATOM 1314 N LEU A 83 21.856 -11.223 -20.715 1.00 0.00 N ATOM 1315 CA LEU A 83 22.494 -11.021 -22.010 1.00 0.00 C ATOM 1316 C LEU A 83 22.751 -12.351 -22.709 1.00 0.00 C ATOM 1317 O LEU A 83 22.134 -13.367 -22.384 1.00 0.00 O ATOM 1318 CB LEU A 83 23.809 -10.260 -21.842 1.00 0.00 C ATOM 1319 CG LEU A 83 23.670 -8.831 -21.313 1.00 0.00 C ATOM 1320 CD1 LEU A 83 25.036 -8.186 -21.169 1.00 0.00 C ATOM 1321 CD2 LEU A 83 22.789 -8.000 -22.234 1.00 0.00 C ATOM 0 H LEU A 83 22.488 -11.534 -19.977 1.00 0.00 H new ATOM 0 HA LEU A 83 21.816 -10.433 -22.629 1.00 0.00 H new ATOM 0 HB2 LEU A 83 24.451 -10.821 -21.163 1.00 0.00 H new ATOM 0 HB3 LEU A 83 24.317 -10.226 -22.806 1.00 0.00 H new ATOM 0 HG LEU A 83 23.198 -8.874 -20.332 1.00 0.00 H new ATOM 0 HD11 LEU A 83 24.921 -7.170 -20.792 1.00 0.00 H new ATOM 0 HD12 LEU A 83 25.640 -8.766 -20.471 1.00 0.00 H new ATOM 0 HD13 LEU A 83 25.530 -8.158 -22.140 1.00 0.00 H new ATOM 0 HD21 LEU A 83 22.703 -6.988 -21.840 1.00 0.00 H new ATOM 0 HD22 LEU A 83 23.233 -7.965 -23.229 1.00 0.00 H new ATOM 0 HD23 LEU A 83 21.798 -8.451 -22.294 1.00 0.00 H new ATOM 1333 N ARG A 84 23.658 -12.333 -23.674 1.00 0.00 N ATOM 1334 CA ARG A 84 23.964 -13.517 -24.452 1.00 0.00 C ATOM 1335 C ARG A 84 25.245 -14.165 -23.932 1.00 0.00 C ATOM 1336 O ARG A 84 25.851 -13.675 -22.980 1.00 0.00 O ATOM 1337 CB ARG A 84 24.112 -13.137 -25.929 1.00 0.00 C ATOM 1338 CG ARG A 84 22.998 -12.230 -26.433 1.00 0.00 C ATOM 1339 CD ARG A 84 23.162 -11.891 -27.904 1.00 0.00 C ATOM 1340 NE ARG A 84 22.238 -10.837 -28.324 1.00 0.00 N ATOM 1341 CZ ARG A 84 21.081 -11.060 -28.941 1.00 0.00 C ATOM 1342 NH1 ARG A 84 20.680 -12.301 -29.181 1.00 0.00 N ATOM 1343 NH2 ARG A 84 20.321 -10.039 -29.316 1.00 0.00 N ATOM 0 H ARG A 84 24.195 -11.506 -23.935 1.00 0.00 H new ATOM 0 HA ARG A 84 23.151 -14.236 -24.355 1.00 0.00 H new ATOM 0 HB2 ARG A 84 25.070 -12.639 -26.074 1.00 0.00 H new ATOM 0 HB3 ARG A 84 24.131 -14.046 -26.530 1.00 0.00 H new ATOM 0 HG2 ARG A 84 22.036 -12.718 -26.279 1.00 0.00 H new ATOM 0 HG3 ARG A 84 22.987 -11.310 -25.848 1.00 0.00 H new ATOM 0 HD2 ARG A 84 24.187 -11.572 -28.092 1.00 0.00 H new ATOM 0 HD3 ARG A 84 22.991 -12.785 -28.504 1.00 0.00 H new ATOM 0 HE ARG A 84 22.498 -9.870 -28.131 1.00 0.00 H new ATOM 0 HH11 ARG A 84 21.260 -13.089 -28.892 1.00 0.00 H new ATOM 0 HH12 ARG A 84 19.792 -12.467 -29.654 1.00 0.00 H new ATOM 0 HH21 ARG A 84 20.624 -9.083 -29.131 1.00 0.00 H new ATOM 0 HH22 ARG A 84 19.434 -10.210 -29.789 1.00 0.00 H new ATOM 1357 N ARG A 85 25.665 -15.251 -24.572 1.00 0.00 N ATOM 1358 CA ARG A 85 26.865 -15.980 -24.151 1.00 0.00 C ATOM 1359 C ARG A 85 28.143 -15.283 -24.627 1.00 0.00 C ATOM 1360 O ARG A 85 29.231 -15.864 -24.601 1.00 0.00 O ATOM 1361 CB ARG A 85 26.824 -17.414 -24.690 1.00 0.00 C ATOM 1362 CG ARG A 85 26.707 -17.491 -26.203 1.00 0.00 C ATOM 1363 CD ARG A 85 26.716 -18.927 -26.697 1.00 0.00 C ATOM 1364 NE ARG A 85 27.988 -19.603 -26.427 1.00 0.00 N ATOM 1365 CZ ARG A 85 28.938 -19.803 -27.343 1.00 0.00 C ATOM 1366 NH1 ARG A 85 28.803 -19.312 -28.568 1.00 0.00 N ATOM 1367 NH2 ARG A 85 30.030 -20.484 -27.022 1.00 0.00 N ATOM 0 H ARG A 85 25.195 -15.649 -25.385 1.00 0.00 H new ATOM 0 HA ARG A 85 26.878 -15.999 -23.061 1.00 0.00 H new ATOM 0 HB2 ARG A 85 27.727 -17.937 -24.377 1.00 0.00 H new ATOM 0 HB3 ARG A 85 25.980 -17.938 -24.241 1.00 0.00 H new ATOM 0 HG2 ARG A 85 25.786 -17.003 -26.522 1.00 0.00 H new ATOM 0 HG3 ARG A 85 27.532 -16.944 -26.660 1.00 0.00 H new ATOM 0 HD2 ARG A 85 25.906 -19.478 -26.219 1.00 0.00 H new ATOM 0 HD3 ARG A 85 26.521 -18.941 -27.769 1.00 0.00 H new ATOM 0 HE ARG A 85 28.158 -19.942 -25.480 1.00 0.00 H new ATOM 0 HH11 ARG A 85 27.970 -18.778 -28.814 1.00 0.00 H new ATOM 0 HH12 ARG A 85 29.533 -19.468 -29.263 1.00 0.00 H new ATOM 0 HH21 ARG A 85 30.142 -20.853 -26.078 1.00 0.00 H new ATOM 0 HH22 ARG A 85 30.758 -20.639 -27.719 1.00 0.00 H new ATOM 1381 N SER A 86 28.010 -14.044 -25.074 1.00 0.00 N ATOM 1382 CA SER A 86 29.149 -13.282 -25.556 1.00 0.00 C ATOM 1383 C SER A 86 29.691 -12.340 -24.482 1.00 0.00 C ATOM 1384 O SER A 86 30.877 -12.394 -24.147 1.00 0.00 O ATOM 1385 CB SER A 86 28.753 -12.503 -26.809 1.00 0.00 C ATOM 1386 OG SER A 86 27.411 -12.043 -26.717 1.00 0.00 O ATOM 0 H SER A 86 27.122 -13.544 -25.113 1.00 0.00 H new ATOM 0 HA SER A 86 29.948 -13.980 -25.805 1.00 0.00 H new ATOM 0 HB2 SER A 86 29.424 -11.655 -26.942 1.00 0.00 H new ATOM 0 HB3 SER A 86 28.865 -13.138 -27.688 1.00 0.00 H new ATOM 0 HG SER A 86 27.179 -11.546 -27.529 1.00 0.00 H new ATOM 1392 N ASN A 87 28.813 -11.493 -23.939 1.00 0.00 N ATOM 1393 CA ASN A 87 29.197 -10.485 -22.943 1.00 0.00 C ATOM 1394 C ASN A 87 30.239 -9.535 -23.530 1.00 0.00 C ATOM 1395 O ASN A 87 30.302 -9.348 -24.746 1.00 0.00 O ATOM 1396 CB ASN A 87 29.747 -11.140 -21.665 1.00 0.00 C ATOM 1397 CG ASN A 87 28.750 -12.057 -20.985 1.00 0.00 C ATOM 1398 OD1 ASN A 87 28.744 -13.266 -21.220 1.00 0.00 O ATOM 1399 ND2 ASN A 87 27.902 -11.489 -20.142 1.00 0.00 N ATOM 0 H ASN A 87 27.821 -11.485 -24.175 1.00 0.00 H new ATOM 0 HA ASN A 87 28.303 -9.921 -22.677 1.00 0.00 H new ATOM 0 HB2 ASN A 87 30.643 -11.709 -21.913 1.00 0.00 H new ATOM 0 HB3 ASN A 87 30.048 -10.360 -20.966 1.00 0.00 H new ATOM 0 HD21 ASN A 87 27.208 -12.057 -19.657 1.00 0.00 H new ATOM 0 HD22 ASN A 87 27.943 -10.483 -19.978 1.00 0.00 H new ATOM 1406 N ASP A 88 31.032 -8.905 -22.673 1.00 0.00 N ATOM 1407 CA ASP A 88 32.125 -8.065 -23.139 1.00 0.00 C ATOM 1408 C ASP A 88 33.451 -8.653 -22.665 1.00 0.00 C ATOM 1409 O ASP A 88 33.587 -9.042 -21.505 1.00 0.00 O ATOM 1410 CB ASP A 88 31.955 -6.609 -22.662 1.00 0.00 C ATOM 1411 CG ASP A 88 32.805 -6.251 -21.452 1.00 0.00 C ATOM 1412 OD1 ASP A 88 32.386 -6.539 -20.312 1.00 0.00 O ATOM 1413 OD2 ASP A 88 33.892 -5.661 -21.643 1.00 0.00 O ATOM 0 H ASP A 88 30.939 -8.959 -21.659 1.00 0.00 H new ATOM 0 HA ASP A 88 32.116 -8.044 -24.229 1.00 0.00 H new ATOM 0 HB2 ASP A 88 32.208 -5.937 -23.482 1.00 0.00 H new ATOM 0 HB3 ASP A 88 30.906 -6.437 -22.420 1.00 0.00 H new ATOM 1418 N ILE A 89 34.406 -8.773 -23.578 1.00 0.00 N ATOM 1419 CA ILE A 89 35.707 -9.351 -23.251 1.00 0.00 C ATOM 1420 C ILE A 89 36.839 -8.513 -23.830 1.00 0.00 C ATOM 1421 O ILE A 89 38.015 -8.848 -23.678 1.00 0.00 O ATOM 1422 CB ILE A 89 35.836 -10.800 -23.778 1.00 0.00 C ATOM 1423 CG1 ILE A 89 35.542 -10.850 -25.283 1.00 0.00 C ATOM 1424 CG2 ILE A 89 34.912 -11.737 -23.010 1.00 0.00 C ATOM 1425 CD1 ILE A 89 35.717 -12.226 -25.894 1.00 0.00 C ATOM 0 H ILE A 89 34.307 -8.479 -24.550 1.00 0.00 H new ATOM 0 HA ILE A 89 35.781 -9.362 -22.164 1.00 0.00 H new ATOM 0 HB ILE A 89 36.861 -11.136 -23.620 1.00 0.00 H new ATOM 0 HG12 ILE A 89 34.520 -10.513 -25.456 1.00 0.00 H new ATOM 0 HG13 ILE A 89 36.200 -10.148 -25.796 1.00 0.00 H new ATOM 0 HG21 ILE A 89 35.019 -12.751 -23.397 1.00 0.00 H new ATOM 0 HG22 ILE A 89 35.176 -11.722 -21.953 1.00 0.00 H new ATOM 0 HG23 ILE A 89 33.879 -11.409 -23.131 1.00 0.00 H new ATOM 0 HD11 ILE A 89 35.492 -12.182 -26.960 1.00 0.00 H new ATOM 0 HD12 ILE A 89 36.746 -12.558 -25.754 1.00 0.00 H new ATOM 0 HD13 ILE A 89 35.040 -12.929 -25.408 1.00 0.00 H new ATOM 1437 N LEU A 90 36.488 -7.416 -24.482 1.00 0.00 N ATOM 1438 CA LEU A 90 37.473 -6.589 -25.160 1.00 0.00 C ATOM 1439 C LEU A 90 37.389 -5.146 -24.682 1.00 0.00 C ATOM 1440 O LEU A 90 36.303 -4.567 -24.622 1.00 0.00 O ATOM 1441 CB LEU A 90 37.264 -6.651 -26.676 1.00 0.00 C ATOM 1442 CG LEU A 90 38.285 -5.869 -27.508 1.00 0.00 C ATOM 1443 CD1 LEU A 90 39.686 -6.415 -27.282 1.00 0.00 C ATOM 1444 CD2 LEU A 90 37.929 -5.928 -28.986 1.00 0.00 C ATOM 0 H LEU A 90 35.529 -7.078 -24.556 1.00 0.00 H new ATOM 0 HA LEU A 90 38.464 -6.975 -24.921 1.00 0.00 H new ATOM 0 HB2 LEU A 90 37.289 -7.695 -26.988 1.00 0.00 H new ATOM 0 HB3 LEU A 90 36.267 -6.274 -26.905 1.00 0.00 H new ATOM 0 HG LEU A 90 38.261 -4.827 -27.187 1.00 0.00 H new ATOM 0 HD11 LEU A 90 40.399 -5.848 -27.881 1.00 0.00 H new ATOM 0 HD12 LEU A 90 39.946 -6.325 -26.227 1.00 0.00 H new ATOM 0 HD13 LEU A 90 39.719 -7.464 -27.576 1.00 0.00 H new ATOM 0 HD21 LEU A 90 38.666 -5.367 -29.560 1.00 0.00 H new ATOM 0 HD22 LEU A 90 37.924 -6.966 -29.318 1.00 0.00 H new ATOM 0 HD23 LEU A 90 36.941 -5.493 -29.140 1.00 0.00 H new ATOM 1456 N ARG A 91 38.538 -4.581 -24.332 1.00 0.00 N ATOM 1457 CA ARG A 91 38.622 -3.185 -23.936 1.00 0.00 C ATOM 1458 C ARG A 91 38.423 -2.289 -25.150 1.00 0.00 C ATOM 1459 O ARG A 91 39.219 -2.315 -26.090 1.00 0.00 O ATOM 1460 CB ARG A 91 39.979 -2.902 -23.288 1.00 0.00 C ATOM 1461 CG ARG A 91 40.226 -3.716 -22.030 1.00 0.00 C ATOM 1462 CD ARG A 91 41.660 -3.578 -21.547 1.00 0.00 C ATOM 1463 NE ARG A 91 41.990 -2.211 -21.151 1.00 0.00 N ATOM 1464 CZ ARG A 91 42.596 -1.902 -20.006 1.00 0.00 C ATOM 1465 NH1 ARG A 91 42.932 -2.855 -19.147 1.00 0.00 N ATOM 1466 NH2 ARG A 91 42.869 -0.638 -19.722 1.00 0.00 N ATOM 0 H ARG A 91 39.430 -5.075 -24.315 1.00 0.00 H new ATOM 0 HA ARG A 91 37.837 -2.975 -23.209 1.00 0.00 H new ATOM 0 HB2 ARG A 91 40.769 -3.112 -24.009 1.00 0.00 H new ATOM 0 HB3 ARG A 91 40.043 -1.841 -23.045 1.00 0.00 H new ATOM 0 HG2 ARG A 91 39.544 -3.389 -21.245 1.00 0.00 H new ATOM 0 HG3 ARG A 91 40.007 -4.766 -22.226 1.00 0.00 H new ATOM 0 HD2 ARG A 91 41.820 -4.246 -20.701 1.00 0.00 H new ATOM 0 HD3 ARG A 91 42.338 -3.897 -22.338 1.00 0.00 H new ATOM 0 HE ARG A 91 41.743 -1.452 -21.786 1.00 0.00 H new ATOM 0 HH11 ARG A 91 42.726 -3.831 -19.362 1.00 0.00 H new ATOM 0 HH12 ARG A 91 43.396 -2.612 -18.272 1.00 0.00 H new ATOM 0 HH21 ARG A 91 42.615 0.099 -20.380 1.00 0.00 H new ATOM 0 HH22 ARG A 91 43.333 -0.401 -18.845 1.00 0.00 H new ATOM 1480 N LEU A 92 37.353 -1.511 -25.127 1.00 0.00 N ATOM 1481 CA LEU A 92 37.004 -0.661 -26.254 1.00 0.00 C ATOM 1482 C LEU A 92 37.334 0.797 -25.963 1.00 0.00 C ATOM 1483 O LEU A 92 38.018 1.101 -24.981 1.00 0.00 O ATOM 1484 CB LEU A 92 35.515 -0.804 -26.582 1.00 0.00 C ATOM 1485 CG LEU A 92 35.069 -2.206 -26.999 1.00 0.00 C ATOM 1486 CD1 LEU A 92 33.568 -2.239 -27.235 1.00 0.00 C ATOM 1487 CD2 LEU A 92 35.817 -2.652 -28.248 1.00 0.00 C ATOM 0 H LEU A 92 36.709 -1.450 -24.338 1.00 0.00 H new ATOM 0 HA LEU A 92 37.593 -0.980 -27.113 1.00 0.00 H new ATOM 0 HB2 LEU A 92 34.937 -0.502 -25.709 1.00 0.00 H new ATOM 0 HB3 LEU A 92 35.268 -0.109 -27.384 1.00 0.00 H new ATOM 0 HG LEU A 92 35.304 -2.898 -26.191 1.00 0.00 H new ATOM 0 HD11 LEU A 92 33.268 -3.244 -27.531 1.00 0.00 H new ATOM 0 HD12 LEU A 92 33.049 -1.961 -26.318 1.00 0.00 H new ATOM 0 HD13 LEU A 92 33.308 -1.535 -28.026 1.00 0.00 H new ATOM 0 HD21 LEU A 92 35.488 -3.652 -28.532 1.00 0.00 H new ATOM 0 HD22 LEU A 92 35.611 -1.958 -29.063 1.00 0.00 H new ATOM 0 HD23 LEU A 92 36.888 -2.666 -28.045 1.00 0.00 H new ATOM 1499 N ALA A 93 36.844 1.680 -26.833 1.00 0.00 N ATOM 1500 CA ALA A 93 37.023 3.125 -26.702 1.00 0.00 C ATOM 1501 C ALA A 93 38.482 3.535 -26.891 1.00 0.00 C ATOM 1502 O ALA A 93 38.897 3.879 -28.002 1.00 0.00 O ATOM 1503 CB ALA A 93 36.478 3.632 -25.371 1.00 0.00 C ATOM 0 H ALA A 93 36.306 1.409 -27.656 1.00 0.00 H new ATOM 0 HA ALA A 93 36.448 3.594 -27.500 1.00 0.00 H new ATOM 0 HB1 ALA A 93 36.626 4.710 -25.304 1.00 0.00 H new ATOM 0 HB2 ALA A 93 35.414 3.407 -25.304 1.00 0.00 H new ATOM 0 HB3 ALA A 93 37.004 3.142 -24.552 1.00 0.00 H new ATOM 1509 N SER A 94 39.265 3.473 -25.826 1.00 0.00 N ATOM 1510 CA SER A 94 40.645 3.911 -25.884 1.00 0.00 C ATOM 1511 C SER A 94 41.576 2.931 -25.173 1.00 0.00 C ATOM 1512 O SER A 94 41.683 2.925 -23.944 1.00 0.00 O ATOM 1513 CB SER A 94 40.780 5.315 -25.290 1.00 0.00 C ATOM 1514 OG SER A 94 40.107 5.421 -24.044 1.00 0.00 O ATOM 0 H SER A 94 38.967 3.124 -24.915 1.00 0.00 H new ATOM 0 HA SER A 94 40.944 3.942 -26.932 1.00 0.00 H new ATOM 0 HB2 SER A 94 41.835 5.554 -25.156 1.00 0.00 H new ATOM 0 HB3 SER A 94 40.373 6.047 -25.988 1.00 0.00 H new ATOM 0 HG SER A 94 40.359 4.667 -23.471 1.00 0.00 H new ATOM 1520 N ALA A 95 42.220 2.083 -25.955 1.00 0.00 N ATOM 1521 CA ALA A 95 43.244 1.188 -25.442 1.00 0.00 C ATOM 1522 C ALA A 95 44.431 1.206 -26.388 1.00 0.00 C ATOM 1523 O ALA A 95 45.487 1.752 -26.071 1.00 0.00 O ATOM 1524 CB ALA A 95 42.700 -0.225 -25.281 1.00 0.00 C ATOM 0 H ALA A 95 42.050 1.995 -26.957 1.00 0.00 H new ATOM 0 HA ALA A 95 43.561 1.528 -24.456 1.00 0.00 H new ATOM 0 HB1 ALA A 95 43.485 -0.876 -24.896 1.00 0.00 H new ATOM 0 HB2 ALA A 95 41.862 -0.215 -24.584 1.00 0.00 H new ATOM 0 HB3 ALA A 95 42.362 -0.597 -26.248 1.00 0.00 H new ATOM 1530 N TYR A 96 44.235 0.619 -27.556 1.00 0.00 N ATOM 1531 CA TYR A 96 45.210 0.671 -28.635 1.00 0.00 C ATOM 1532 C TYR A 96 44.481 0.753 -29.965 1.00 0.00 C ATOM 1533 O TYR A 96 43.398 0.187 -30.119 1.00 0.00 O ATOM 1534 CB TYR A 96 46.143 -0.548 -28.617 1.00 0.00 C ATOM 1535 CG TYR A 96 47.235 -0.464 -27.573 1.00 0.00 C ATOM 1536 CD1 TYR A 96 48.364 0.317 -27.791 1.00 0.00 C ATOM 1537 CD2 TYR A 96 47.138 -1.159 -26.377 1.00 0.00 C ATOM 1538 CE1 TYR A 96 49.364 0.404 -26.845 1.00 0.00 C ATOM 1539 CE2 TYR A 96 48.137 -1.075 -25.425 1.00 0.00 C ATOM 1540 CZ TYR A 96 49.246 -0.292 -25.663 1.00 0.00 C ATOM 1541 OH TYR A 96 50.242 -0.207 -24.715 1.00 0.00 O ATOM 0 H TYR A 96 43.393 0.091 -27.785 1.00 0.00 H new ATOM 0 HA TYR A 96 45.829 1.557 -28.495 1.00 0.00 H new ATOM 0 HB2 TYR A 96 45.550 -1.445 -28.438 1.00 0.00 H new ATOM 0 HB3 TYR A 96 46.600 -0.659 -29.600 1.00 0.00 H new ATOM 0 HD1 TYR A 96 48.460 0.865 -28.717 1.00 0.00 H new ATOM 0 HD2 TYR A 96 46.271 -1.774 -26.187 1.00 0.00 H new ATOM 0 HE1 TYR A 96 50.235 1.015 -27.031 1.00 0.00 H new ATOM 0 HE2 TYR A 96 48.049 -1.621 -24.498 1.00 0.00 H new ATOM 0 HH TYR A 96 50.004 -0.757 -23.940 1.00 0.00 H new ATOM 1551 N PHE A 97 45.051 1.483 -30.906 1.00 0.00 N ATOM 1552 CA PHE A 97 44.442 1.630 -32.215 1.00 0.00 C ATOM 1553 C PHE A 97 45.083 0.657 -33.192 1.00 0.00 C ATOM 1554 O PHE A 97 46.277 0.754 -33.491 1.00 0.00 O ATOM 1555 CB PHE A 97 44.576 3.068 -32.715 1.00 0.00 C ATOM 1556 CG PHE A 97 44.190 4.095 -31.687 1.00 0.00 C ATOM 1557 CD1 PHE A 97 42.967 4.026 -31.038 1.00 0.00 C ATOM 1558 CD2 PHE A 97 45.055 5.128 -31.369 1.00 0.00 C ATOM 1559 CE1 PHE A 97 42.618 4.966 -30.086 1.00 0.00 C ATOM 1560 CE2 PHE A 97 44.711 6.071 -30.421 1.00 0.00 C ATOM 1561 CZ PHE A 97 43.491 5.990 -29.778 1.00 0.00 C ATOM 0 H PHE A 97 45.933 1.982 -30.789 1.00 0.00 H new ATOM 0 HA PHE A 97 43.379 1.401 -32.138 1.00 0.00 H new ATOM 0 HB2 PHE A 97 45.607 3.243 -33.024 1.00 0.00 H new ATOM 0 HB3 PHE A 97 43.952 3.197 -33.599 1.00 0.00 H new ATOM 0 HD1 PHE A 97 42.279 3.229 -31.279 1.00 0.00 H new ATOM 0 HD2 PHE A 97 46.010 5.197 -31.868 1.00 0.00 H new ATOM 0 HE1 PHE A 97 41.664 4.899 -29.584 1.00 0.00 H new ATOM 0 HE2 PHE A 97 45.395 6.872 -30.182 1.00 0.00 H new ATOM 0 HZ PHE A 97 43.221 6.726 -29.036 1.00 0.00 H new ATOM 1571 N ALA A 98 44.282 -0.281 -33.680 1.00 0.00 N ATOM 1572 CA ALA A 98 44.773 -1.360 -34.527 1.00 0.00 C ATOM 1573 C ALA A 98 45.275 -0.845 -35.870 1.00 0.00 C ATOM 1574 O ALA A 98 46.132 -1.477 -36.490 1.00 0.00 O ATOM 1575 CB ALA A 98 43.684 -2.402 -34.740 1.00 0.00 C ATOM 0 H ALA A 98 43.278 -0.316 -33.501 1.00 0.00 H new ATOM 0 HA ALA A 98 45.617 -1.820 -34.013 1.00 0.00 H new ATOM 0 HB1 ALA A 98 44.065 -3.202 -35.375 1.00 0.00 H new ATOM 0 HB2 ALA A 98 43.382 -2.815 -33.777 1.00 0.00 H new ATOM 0 HB3 ALA A 98 42.824 -1.936 -35.221 1.00 0.00 H new ATOM 1581 N LYS A 99 44.724 0.294 -36.311 1.00 0.00 N ATOM 1582 CA LYS A 99 45.086 0.924 -37.592 1.00 0.00 C ATOM 1583 C LYS A 99 44.531 0.140 -38.781 1.00 0.00 C ATOM 1584 O LYS A 99 43.974 0.727 -39.713 1.00 0.00 O ATOM 1585 CB LYS A 99 46.608 1.068 -37.731 1.00 0.00 C ATOM 1586 CG LYS A 99 47.239 1.955 -36.672 1.00 0.00 C ATOM 1587 CD LYS A 99 48.758 1.891 -36.731 1.00 0.00 C ATOM 1588 CE LYS A 99 49.401 2.745 -35.649 1.00 0.00 C ATOM 1589 NZ LYS A 99 48.931 2.357 -34.294 1.00 0.00 N ATOM 0 H LYS A 99 44.013 0.807 -35.790 1.00 0.00 H new ATOM 0 HA LYS A 99 44.637 1.917 -37.594 1.00 0.00 H new ATOM 0 HB2 LYS A 99 47.063 0.079 -37.681 1.00 0.00 H new ATOM 0 HB3 LYS A 99 46.837 1.475 -38.716 1.00 0.00 H new ATOM 0 HG2 LYS A 99 46.910 2.985 -36.814 1.00 0.00 H new ATOM 0 HG3 LYS A 99 46.898 1.645 -35.684 1.00 0.00 H new ATOM 0 HD2 LYS A 99 49.083 0.857 -36.619 1.00 0.00 H new ATOM 0 HD3 LYS A 99 49.098 2.228 -37.710 1.00 0.00 H new ATOM 0 HE2 LYS A 99 50.485 2.644 -35.701 1.00 0.00 H new ATOM 0 HE3 LYS A 99 49.170 3.795 -35.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 49.561 2.770 -33.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 47.963 2.709 -34.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 48.939 1.321 -34.207 1.00 0.00 H new ATOM 1603 N ALA A 100 44.704 -1.181 -38.738 1.00 0.00 N ATOM 1604 CA ALA A 100 44.211 -2.091 -39.768 1.00 0.00 C ATOM 1605 C ALA A 100 44.969 -1.906 -41.080 1.00 0.00 C ATOM 1606 O ALA A 100 44.463 -2.228 -42.157 1.00 0.00 O ATOM 1607 CB ALA A 100 42.712 -1.920 -39.966 1.00 0.00 C ATOM 0 H ALA A 100 45.195 -1.653 -37.979 1.00 0.00 H new ATOM 0 HA ALA A 100 44.391 -3.111 -39.430 1.00 0.00 H new ATOM 0 HB1 ALA A 100 42.366 -2.608 -40.738 1.00 0.00 H new ATOM 0 HB2 ALA A 100 42.195 -2.134 -39.031 1.00 0.00 H new ATOM 0 HB3 ALA A 100 42.500 -0.895 -40.271 1.00 0.00 H new ATOM 1613 N GLU A 101 46.192 -1.394 -40.974 1.00 0.00 N ATOM 1614 CA GLU A 101 47.078 -1.272 -42.121 1.00 0.00 C ATOM 1615 C GLU A 101 47.633 -2.654 -42.463 1.00 0.00 C ATOM 1616 O GLU A 101 48.241 -3.314 -41.618 1.00 0.00 O ATOM 1617 CB GLU A 101 48.204 -0.281 -41.812 1.00 0.00 C ATOM 1618 CG GLU A 101 47.695 1.106 -41.434 1.00 0.00 C ATOM 1619 CD GLU A 101 48.809 2.079 -41.106 1.00 0.00 C ATOM 1620 OE1 GLU A 101 49.359 2.697 -42.043 1.00 0.00 O ATOM 1621 OE2 GLU A 101 49.127 2.254 -39.912 1.00 0.00 O ATOM 0 H GLU A 101 46.591 -1.056 -40.098 1.00 0.00 H new ATOM 0 HA GLU A 101 46.529 -0.889 -42.981 1.00 0.00 H new ATOM 0 HB2 GLU A 101 48.811 -0.673 -40.996 1.00 0.00 H new ATOM 0 HB3 GLU A 101 48.855 -0.198 -42.682 1.00 0.00 H new ATOM 0 HG2 GLU A 101 47.102 1.506 -42.257 1.00 0.00 H new ATOM 0 HG3 GLU A 101 47.030 1.021 -40.574 1.00 0.00 H new ATOM 1628 N PHE A 102 47.414 -3.089 -43.694 1.00 0.00 N ATOM 1629 CA PHE A 102 47.638 -4.481 -44.060 1.00 0.00 C ATOM 1630 C PHE A 102 49.074 -4.761 -44.494 1.00 0.00 C ATOM 1631 O PHE A 102 49.526 -4.292 -45.544 1.00 0.00 O ATOM 1632 CB PHE A 102 46.672 -4.895 -45.169 1.00 0.00 C ATOM 1633 CG PHE A 102 45.227 -4.763 -44.783 1.00 0.00 C ATOM 1634 CD1 PHE A 102 44.640 -5.680 -43.926 1.00 0.00 C ATOM 1635 CD2 PHE A 102 44.456 -3.725 -45.280 1.00 0.00 C ATOM 1636 CE1 PHE A 102 43.311 -5.565 -43.570 1.00 0.00 C ATOM 1637 CE2 PHE A 102 43.126 -3.605 -44.926 1.00 0.00 C ATOM 1638 CZ PHE A 102 42.552 -4.526 -44.073 1.00 0.00 C ATOM 0 H PHE A 102 47.082 -2.499 -44.457 1.00 0.00 H new ATOM 0 HA PHE A 102 47.455 -5.073 -43.163 1.00 0.00 H new ATOM 0 HB2 PHE A 102 46.861 -4.285 -46.052 1.00 0.00 H new ATOM 0 HB3 PHE A 102 46.873 -5.930 -45.448 1.00 0.00 H new ATOM 0 HD1 PHE A 102 45.229 -6.495 -43.532 1.00 0.00 H new ATOM 0 HD2 PHE A 102 44.899 -3.003 -45.950 1.00 0.00 H new ATOM 0 HE1 PHE A 102 42.866 -6.286 -42.900 1.00 0.00 H new ATOM 0 HE2 PHE A 102 42.535 -2.790 -45.317 1.00 0.00 H new ATOM 0 HZ PHE A 102 41.511 -4.435 -43.799 1.00 0.00 H new ATOM 1648 N ASP A 103 49.772 -5.520 -43.651 1.00 0.00 N ATOM 1649 CA ASP A 103 51.073 -6.115 -43.977 1.00 0.00 C ATOM 1650 C ASP A 103 52.175 -5.060 -44.128 1.00 0.00 C ATOM 1651 O ASP A 103 52.006 -3.911 -43.715 1.00 0.00 O ATOM 1652 CB ASP A 103 50.962 -6.980 -45.244 1.00 0.00 C ATOM 1653 CG ASP A 103 52.012 -8.073 -45.293 1.00 0.00 C ATOM 1654 OD1 ASP A 103 51.787 -9.144 -44.693 1.00 0.00 O ATOM 1655 OD2 ASP A 103 53.073 -7.858 -45.913 1.00 0.00 O ATOM 0 H ASP A 103 49.448 -5.744 -42.710 1.00 0.00 H new ATOM 0 HA ASP A 103 51.360 -6.751 -43.139 1.00 0.00 H new ATOM 0 HB2 ASP A 103 49.970 -7.431 -45.287 1.00 0.00 H new ATOM 0 HB3 ASP A 103 51.062 -6.345 -46.124 1.00 0.00 H new ATOM 1660 N ARG A 104 53.308 -5.482 -44.705 1.00 0.00 N ATOM 1661 CA ARG A 104 54.517 -4.663 -44.815 1.00 0.00 C ATOM 1662 C ARG A 104 55.127 -4.432 -43.436 1.00 0.00 C ATOM 1663 O ARG A 104 55.066 -3.331 -42.885 1.00 0.00 O ATOM 1664 CB ARG A 104 54.255 -3.331 -45.533 1.00 0.00 C ATOM 1665 CG ARG A 104 54.777 -3.283 -46.968 1.00 0.00 C ATOM 1666 CD ARG A 104 53.861 -3.996 -47.959 1.00 0.00 C ATOM 1667 NE ARG A 104 53.798 -5.444 -47.753 1.00 0.00 N ATOM 1668 CZ ARG A 104 53.822 -6.338 -48.746 1.00 0.00 C ATOM 1669 NH1 ARG A 104 54.021 -5.947 -50.002 1.00 0.00 N ATOM 1670 NH2 ARG A 104 53.674 -7.626 -48.470 1.00 0.00 N ATOM 0 H ARG A 104 53.409 -6.412 -45.112 1.00 0.00 H new ATOM 0 HA ARG A 104 55.231 -5.213 -45.428 1.00 0.00 H new ATOM 0 HB2 ARG A 104 53.182 -3.140 -45.541 1.00 0.00 H new ATOM 0 HB3 ARG A 104 54.718 -2.526 -44.962 1.00 0.00 H new ATOM 0 HG2 ARG A 104 54.893 -2.243 -47.272 1.00 0.00 H new ATOM 0 HG3 ARG A 104 55.767 -3.738 -47.004 1.00 0.00 H new ATOM 0 HD2 ARG A 104 52.856 -3.581 -47.878 1.00 0.00 H new ATOM 0 HD3 ARG A 104 54.208 -3.795 -48.973 1.00 0.00 H new ATOM 0 HE ARG A 104 53.732 -5.791 -46.796 1.00 0.00 H new ATOM 0 HH11 ARG A 104 54.157 -4.958 -50.213 1.00 0.00 H new ATOM 0 HH12 ARG A 104 54.038 -6.636 -50.754 1.00 0.00 H new ATOM 0 HH21 ARG A 104 53.543 -7.929 -47.505 1.00 0.00 H new ATOM 0 HH22 ARG A 104 53.691 -8.314 -49.223 1.00 0.00 H new ATOM 1684 N LEU A 105 55.684 -5.496 -42.871 1.00 0.00 N ATOM 1685 CA LEU A 105 56.275 -5.441 -41.543 1.00 0.00 C ATOM 1686 C LEU A 105 57.712 -4.936 -41.618 1.00 0.00 C ATOM 1687 O LEU A 105 58.045 -3.887 -41.065 1.00 0.00 O ATOM 1688 CB LEU A 105 56.234 -6.828 -40.892 1.00 0.00 C ATOM 1689 CG LEU A 105 56.712 -6.883 -39.439 1.00 0.00 C ATOM 1690 CD1 LEU A 105 55.793 -6.062 -38.543 1.00 0.00 C ATOM 1691 CD2 LEU A 105 56.783 -8.326 -38.957 1.00 0.00 C ATOM 0 H LEU A 105 55.738 -6.412 -43.316 1.00 0.00 H new ATOM 0 HA LEU A 105 55.697 -4.747 -40.933 1.00 0.00 H new ATOM 0 HB2 LEU A 105 55.211 -7.201 -40.935 1.00 0.00 H new ATOM 0 HB3 LEU A 105 56.846 -7.508 -41.485 1.00 0.00 H new ATOM 0 HG LEU A 105 57.713 -6.454 -39.387 1.00 0.00 H new ATOM 0 HD11 LEU A 105 56.148 -6.113 -37.514 1.00 0.00 H new ATOM 0 HD12 LEU A 105 55.792 -5.024 -38.876 1.00 0.00 H new ATOM 0 HD13 LEU A 105 54.780 -6.461 -38.597 1.00 0.00 H new ATOM 0 HD21 LEU A 105 57.125 -8.348 -37.922 1.00 0.00 H new ATOM 0 HD22 LEU A 105 55.794 -8.781 -39.022 1.00 0.00 H new ATOM 0 HD23 LEU A 105 57.481 -8.884 -39.581 1.00 0.00 H new ATOM 1703 N TRP A 106 58.560 -5.686 -42.313 1.00 0.00 N ATOM 1704 CA TRP A 106 59.952 -5.301 -42.471 1.00 0.00 C ATOM 1705 C TRP A 106 60.123 -4.470 -43.729 1.00 0.00 C ATOM 1706 O TRP A 106 60.042 -4.986 -44.844 1.00 0.00 O ATOM 1707 CB TRP A 106 60.860 -6.530 -42.521 1.00 0.00 C ATOM 1708 CG TRP A 106 60.788 -7.368 -41.286 1.00 0.00 C ATOM 1709 CD1 TRP A 106 60.106 -8.538 -41.131 1.00 0.00 C ATOM 1710 CD2 TRP A 106 61.409 -7.091 -40.029 1.00 0.00 C ATOM 1711 NE1 TRP A 106 60.268 -9.006 -39.852 1.00 0.00 N ATOM 1712 CE2 TRP A 106 61.065 -8.141 -39.157 1.00 0.00 C ATOM 1713 CE3 TRP A 106 62.227 -6.062 -39.556 1.00 0.00 C ATOM 1714 CZ2 TRP A 106 61.509 -8.186 -37.841 1.00 0.00 C ATOM 1715 CZ3 TRP A 106 62.668 -6.110 -38.249 1.00 0.00 C ATOM 1716 CH2 TRP A 106 62.309 -7.166 -37.404 1.00 0.00 C ATOM 0 H TRP A 106 58.306 -6.560 -42.773 1.00 0.00 H new ATOM 0 HA TRP A 106 60.241 -4.703 -41.607 1.00 0.00 H new ATOM 0 HB2 TRP A 106 60.587 -7.140 -43.382 1.00 0.00 H new ATOM 0 HB3 TRP A 106 61.890 -6.207 -42.673 1.00 0.00 H new ATOM 0 HD1 TRP A 106 59.525 -9.024 -41.901 1.00 0.00 H new ATOM 0 HE1 TRP A 106 59.859 -9.863 -39.479 1.00 0.00 H new ATOM 0 HE3 TRP A 106 62.509 -5.243 -40.202 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 61.232 -8.998 -37.186 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 63.300 -5.320 -37.872 1.00 0.00 H new ATOM 0 HH2 TRP A 106 62.671 -7.176 -36.386 1.00 0.00 H new ATOM 1727 N LYS A 107 60.344 -3.178 -43.540 1.00 0.00 N ATOM 1728 CA LYS A 107 60.452 -2.241 -44.651 1.00 0.00 C ATOM 1729 C LYS A 107 61.651 -2.585 -45.526 1.00 0.00 C ATOM 1730 O LYS A 107 61.521 -2.760 -46.741 1.00 0.00 O ATOM 1731 CB LYS A 107 60.578 -0.813 -44.116 1.00 0.00 C ATOM 1732 CG LYS A 107 59.546 -0.472 -43.055 1.00 0.00 C ATOM 1733 CD LYS A 107 58.126 -0.628 -43.575 1.00 0.00 C ATOM 1734 CE LYS A 107 57.103 -0.466 -42.461 1.00 0.00 C ATOM 1735 NZ LYS A 107 57.225 0.851 -41.779 1.00 0.00 N ATOM 0 H LYS A 107 60.453 -2.751 -42.620 1.00 0.00 H new ATOM 0 HA LYS A 107 59.551 -2.314 -45.260 1.00 0.00 H new ATOM 0 HB2 LYS A 107 61.576 -0.676 -43.699 1.00 0.00 H new ATOM 0 HB3 LYS A 107 60.480 -0.112 -44.945 1.00 0.00 H new ATOM 0 HG2 LYS A 107 59.689 -1.118 -42.189 1.00 0.00 H new ATOM 0 HG3 LYS A 107 59.698 0.553 -42.717 1.00 0.00 H new ATOM 0 HD2 LYS A 107 57.939 0.113 -44.353 1.00 0.00 H new ATOM 0 HD3 LYS A 107 58.012 -1.609 -44.035 1.00 0.00 H new ATOM 0 HE2 LYS A 107 56.099 -0.569 -42.873 1.00 0.00 H new ATOM 0 HE3 LYS A 107 57.232 -1.265 -41.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 56.429 0.977 -41.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 58.120 0.886 -41.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 57.212 1.612 -42.488 1.00 0.00 H new ATOM 1749 N LYS A 108 62.813 -2.686 -44.899 1.00 0.00 N ATOM 1750 CA LYS A 108 64.041 -3.040 -45.594 1.00 0.00 C ATOM 1751 C LYS A 108 65.116 -3.395 -44.580 1.00 0.00 C ATOM 1752 O LYS A 108 65.396 -4.599 -44.407 1.00 0.00 O ATOM 1753 CB LYS A 108 64.510 -1.888 -46.486 1.00 0.00 C ATOM 1754 CG LYS A 108 65.737 -2.217 -47.317 1.00 0.00 C ATOM 1755 CD LYS A 108 66.064 -1.100 -48.292 1.00 0.00 C ATOM 1756 CE LYS A 108 67.290 -1.436 -49.123 1.00 0.00 C ATOM 1757 NZ LYS A 108 68.529 -1.491 -48.302 1.00 0.00 N ATOM 1758 OXT LYS A 108 65.642 -2.472 -43.926 1.00 0.00 O ATOM 0 H LYS A 108 62.931 -2.526 -43.899 1.00 0.00 H new ATOM 0 HA LYS A 108 63.849 -3.904 -46.231 1.00 0.00 H new ATOM 0 HB2 LYS A 108 63.697 -1.603 -47.153 1.00 0.00 H new ATOM 0 HB3 LYS A 108 64.728 -1.022 -45.861 1.00 0.00 H new ATOM 0 HG2 LYS A 108 66.589 -2.388 -46.659 1.00 0.00 H new ATOM 0 HG3 LYS A 108 65.568 -3.143 -47.866 1.00 0.00 H new ATOM 0 HD2 LYS A 108 65.212 -0.927 -48.950 1.00 0.00 H new ATOM 0 HD3 LYS A 108 66.236 -0.174 -47.743 1.00 0.00 H new ATOM 0 HE2 LYS A 108 67.140 -2.397 -49.616 1.00 0.00 H new ATOM 0 HE3 LYS A 108 67.410 -0.690 -49.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 69.356 -1.571 -48.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 68.607 -0.624 -47.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 68.491 -2.317 -47.671 1.00 0.00 H new TER 1772 LYS A 108