USER MOD reduce.3.24.130724 H: found=0, std=0, add=1114, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1109 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 116 LYS NZ :NH3+ -168:sc= -2.66 (180deg=-1.68) USER MOD Set 1.2: A 118 GLN :FLIP amide:sc= -2.24 F(o=-9.3!,f=-4.9) USER MOD Set 2.1: A 59 SER OG : rot 6:sc= 0.601 USER MOD Set 2.2: A 63 GLN : amide:sc= -1.12 K(o=-0.52,f=-1.4) USER MOD Set 3.1: A 13 MET CE :methyl -133:sc= -0.0396 (180deg=-0.295) USER MOD Set 3.2: A 32 THR OG1 : rot 180:sc= -0.0392 USER MOD Single : A 1 GLY N :NH3+ -124:sc= 0.0873 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0.00367 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.551) USER MOD Single : A 15 SER OG : rot -130:sc= -2.02! USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -1.08 K(o=-1.1,f=-6.5!) USER MOD Single : A 20 ASN : amide:sc= -0.132 K(o=-0.13,f=-0.66) USER MOD Single : A 24 SER OG : rot -141:sc= -2.28! USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 27 LYS NZ :NH3+ 174:sc= -0.0197 (180deg=-0.0957) USER MOD Single : A 31 SER OG : rot 113:sc= -5.03! USER MOD Single : A 33 THR OG1 : rot 180:sc= -1.17 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -8.97! C(o=-9!,f=-9.9!) USER MOD Single : A 39 LYS NZ :NH3+ -112:sc= 0.253 (180deg=-0.863) USER MOD Single : A 41 ASN : amide:sc= -1.98 K(o=-2,f=-6.4!) USER MOD Single : A 47 SER OG : rot -96:sc= 1.24 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= -0.0184 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 HIS : no HD1:sc= -4.29 K(o=-4.3,f=-6.7!) USER MOD Single : A 66 SER OG : rot -123:sc= 0.262 USER MOD Single : A 68 MET CE :methyl 155:sc= -2.7 (180deg=-3.19!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 165:sc=-0.00687 (180deg=-0.136) USER MOD Single : A 77 SER OG : rot 180:sc= 0.0158 USER MOD Single : A 78 GLN : amide:sc= -0.0952 X(o=-0.095,f=-0.095) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -161:sc= -0.426 (180deg=-1.14) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 105 HIS : no HE2:sc= 0.45 K(o=0.45,f=-4.6!) USER MOD Single : A 106 HIS : no HD1:sc= -1.11 K(o=-1.1,f=-2) USER MOD Single : A 109 ASN : amide:sc= -2.81! C(o=-2.8!,f=-3.4!) USER MOD Single : A 112 ASN : amide:sc= -0.192 X(o=-0.19,f=-0.049) USER MOD Single : A 114 ASN : amide:sc= -0.192 K(o=-0.19,f=-2.4!) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot 27:sc= 0.032 USER MOD Single : A 124 GLN : amide:sc= -0.309 X(o=-0.31,f=-0.31) USER MOD Single : A 129 GLN : amide:sc= -0.173 X(o=-0.17,f=-0.032) USER MOD Single : A 133 GLN :FLIP amide:sc= -2.47 F(o=-3.4!,f=-2.5) USER MOD Single : A 136 GLN : amide:sc= -1.17 X(o=-1.2,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -25.388 -13.522 -1.604 1.00 0.00 N ATOM 2 CA GLY A 1 -25.197 -14.279 -0.381 1.00 0.00 C ATOM 3 C GLY A 1 -24.860 -13.393 0.802 1.00 0.00 C ATOM 4 O GLY A 1 -24.817 -12.169 0.677 1.00 0.00 O ATOM 0 H1 GLY A 1 -26.327 -13.731 -1.999 1.00 0.00 H new ATOM 0 H2 GLY A 1 -25.318 -12.505 -1.397 1.00 0.00 H new ATOM 0 H3 GLY A 1 -24.656 -13.786 -2.294 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -26.103 -14.844 -0.162 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -24.397 -15.004 -0.527 1.00 0.00 H new ATOM 8 N SER A 2 -24.622 -14.012 1.954 1.00 0.00 N ATOM 9 CA SER A 2 -24.292 -13.271 3.166 1.00 0.00 C ATOM 10 C SER A 2 -23.372 -14.087 4.068 1.00 0.00 C ATOM 11 O SER A 2 -23.675 -15.229 4.414 1.00 0.00 O ATOM 12 CB SER A 2 -25.568 -12.898 3.924 1.00 0.00 C ATOM 13 OG SER A 2 -25.360 -11.762 4.745 1.00 0.00 O ATOM 0 H SER A 2 -24.652 -15.025 2.074 1.00 0.00 H new ATOM 0 HA SER A 2 -23.771 -12.359 2.874 1.00 0.00 H new ATOM 0 HB2 SER A 2 -26.370 -12.696 3.214 1.00 0.00 H new ATOM 0 HB3 SER A 2 -25.890 -13.740 4.537 1.00 0.00 H new ATOM 0 HG SER A 2 -26.190 -11.543 5.217 1.00 0.00 H new ATOM 19 N SER A 3 -22.244 -13.492 4.446 1.00 0.00 N ATOM 20 CA SER A 3 -21.276 -14.164 5.305 1.00 0.00 C ATOM 21 C SER A 3 -20.635 -13.177 6.275 1.00 0.00 C ATOM 22 O SER A 3 -20.880 -11.974 6.207 1.00 0.00 O ATOM 23 CB SER A 3 -20.196 -14.841 4.459 1.00 0.00 C ATOM 24 OG SER A 3 -19.522 -15.843 5.200 1.00 0.00 O ATOM 0 H SER A 3 -21.979 -12.546 4.171 1.00 0.00 H new ATOM 0 HA SER A 3 -21.804 -14.923 5.882 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.649 -15.283 3.571 1.00 0.00 H new ATOM 0 HB3 SER A 3 -19.480 -14.096 4.114 1.00 0.00 H new ATOM 0 HG SER A 3 -18.838 -16.262 4.637 1.00 0.00 H new ATOM 30 N GLY A 4 -19.810 -13.698 7.180 1.00 0.00 N ATOM 31 CA GLY A 4 -19.146 -12.850 8.152 1.00 0.00 C ATOM 32 C GLY A 4 -17.847 -12.273 7.627 1.00 0.00 C ATOM 33 O GLY A 4 -16.764 -12.667 8.059 1.00 0.00 O ATOM 0 H GLY A 4 -19.591 -14.691 7.256 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -19.813 -12.036 8.435 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -18.945 -13.426 9.055 1.00 0.00 H new ATOM 37 N SER A 5 -17.954 -11.336 6.689 1.00 0.00 N ATOM 38 CA SER A 5 -16.778 -10.707 6.099 1.00 0.00 C ATOM 39 C SER A 5 -17.017 -9.219 5.866 1.00 0.00 C ATOM 40 O SER A 5 -18.152 -8.745 5.921 1.00 0.00 O ATOM 41 CB SER A 5 -16.416 -11.390 4.779 1.00 0.00 C ATOM 42 OG SER A 5 -17.295 -10.991 3.741 1.00 0.00 O ATOM 0 H SER A 5 -18.843 -10.996 6.322 1.00 0.00 H new ATOM 0 HA SER A 5 -15.948 -10.819 6.797 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.390 -11.142 4.507 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.460 -12.472 4.902 1.00 0.00 H new ATOM 0 HG SER A 5 -17.042 -11.440 2.907 1.00 0.00 H new ATOM 48 N SER A 6 -15.939 -8.486 5.606 1.00 0.00 N ATOM 49 CA SER A 6 -16.030 -7.050 5.368 1.00 0.00 C ATOM 50 C SER A 6 -15.499 -6.694 3.983 1.00 0.00 C ATOM 51 O SER A 6 -16.068 -5.859 3.283 1.00 0.00 O ATOM 52 CB SER A 6 -15.250 -6.284 6.438 1.00 0.00 C ATOM 53 OG SER A 6 -15.692 -6.632 7.739 1.00 0.00 O ATOM 0 H SER A 6 -14.993 -8.863 5.555 1.00 0.00 H new ATOM 0 HA SER A 6 -17.081 -6.764 5.420 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.186 -6.501 6.342 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.372 -5.212 6.284 1.00 0.00 H new ATOM 0 HG SER A 6 -15.177 -6.130 8.405 1.00 0.00 H new ATOM 59 N GLY A 7 -14.401 -7.337 3.594 1.00 0.00 N ATOM 60 CA GLY A 7 -13.810 -7.075 2.294 1.00 0.00 C ATOM 61 C GLY A 7 -12.331 -6.754 2.384 1.00 0.00 C ATOM 62 O GLY A 7 -11.711 -6.938 3.431 1.00 0.00 O ATOM 0 H GLY A 7 -13.911 -8.034 4.155 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.952 -7.944 1.652 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.331 -6.242 1.822 1.00 0.00 H new ATOM 66 N VAL A 8 -11.764 -6.273 1.282 1.00 0.00 N ATOM 67 CA VAL A 8 -10.348 -5.926 1.241 1.00 0.00 C ATOM 68 C VAL A 8 -10.095 -4.571 1.891 1.00 0.00 C ATOM 69 O VAL A 8 -10.914 -3.657 1.783 1.00 0.00 O ATOM 70 CB VAL A 8 -9.820 -5.896 -0.206 1.00 0.00 C ATOM 71 CG1 VAL A 8 -10.720 -5.041 -1.085 1.00 0.00 C ATOM 72 CG2 VAL A 8 -8.388 -5.385 -0.239 1.00 0.00 C ATOM 0 H VAL A 8 -12.263 -6.115 0.407 1.00 0.00 H new ATOM 0 HA VAL A 8 -9.816 -6.697 1.798 1.00 0.00 H new ATOM 0 HB VAL A 8 -9.828 -6.913 -0.599 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -10.331 -5.032 -2.103 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -11.728 -5.455 -1.085 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -10.746 -4.023 -0.697 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -8.031 -5.370 -1.269 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.352 -4.376 0.172 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -7.753 -6.042 0.356 1.00 0.00 H new ATOM 82 N ARG A 9 -8.957 -4.447 2.565 1.00 0.00 N ATOM 83 CA ARG A 9 -8.596 -3.203 3.234 1.00 0.00 C ATOM 84 C ARG A 9 -7.568 -2.425 2.418 1.00 0.00 C ATOM 85 O ARG A 9 -7.173 -2.850 1.332 1.00 0.00 O ATOM 86 CB ARG A 9 -8.042 -3.492 4.630 1.00 0.00 C ATOM 87 CG ARG A 9 -9.081 -4.034 5.598 1.00 0.00 C ATOM 88 CD ARG A 9 -8.539 -4.100 7.017 1.00 0.00 C ATOM 89 NE ARG A 9 -8.785 -2.864 7.755 1.00 0.00 N ATOM 90 CZ ARG A 9 -9.969 -2.528 8.254 1.00 0.00 C ATOM 91 NH1 ARG A 9 -11.011 -3.333 8.096 1.00 0.00 N ATOM 92 NH2 ARG A 9 -10.113 -1.386 8.913 1.00 0.00 N ATOM 0 H ARG A 9 -8.268 -5.193 2.662 1.00 0.00 H new ATOM 0 HA ARG A 9 -9.496 -2.595 3.326 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -7.226 -4.210 4.546 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -7.619 -2.575 5.041 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -9.967 -3.400 5.575 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -9.393 -5.029 5.280 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -9.002 -4.935 7.543 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -7.467 -4.297 6.987 1.00 0.00 H new ATOM 0 HE ARG A 9 -8.004 -2.223 7.895 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -10.904 -4.212 7.590 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -11.919 -3.073 8.480 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -9.314 -0.765 9.037 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -11.023 -1.129 9.296 1.00 0.00 H new ATOM 106 N TYR A 10 -7.140 -1.285 2.947 1.00 0.00 N ATOM 107 CA TYR A 10 -6.160 -0.446 2.267 1.00 0.00 C ATOM 108 C TYR A 10 -5.166 0.146 3.261 1.00 0.00 C ATOM 109 O TYR A 10 -5.553 0.679 4.301 1.00 0.00 O ATOM 110 CB TYR A 10 -6.863 0.676 1.501 1.00 0.00 C ATOM 111 CG TYR A 10 -7.834 0.179 0.454 1.00 0.00 C ATOM 112 CD1 TYR A 10 -9.000 -0.482 0.818 1.00 0.00 C ATOM 113 CD2 TYR A 10 -7.585 0.372 -0.899 1.00 0.00 C ATOM 114 CE1 TYR A 10 -9.890 -0.938 -0.136 1.00 0.00 C ATOM 115 CE2 TYR A 10 -8.469 -0.080 -1.860 1.00 0.00 C ATOM 116 CZ TYR A 10 -9.620 -0.735 -1.473 1.00 0.00 C ATOM 117 OH TYR A 10 -10.504 -1.186 -2.425 1.00 0.00 O ATOM 0 H TYR A 10 -7.456 -0.920 3.845 1.00 0.00 H new ATOM 0 HA TYR A 10 -5.612 -1.070 1.562 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -7.398 1.308 2.210 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -6.112 1.302 1.020 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -9.215 -0.642 1.864 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -6.685 0.884 -1.205 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -10.792 -1.451 0.164 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -8.260 0.078 -2.908 1.00 0.00 H new ATOM 0 HH TYR A 10 -10.166 -0.962 -3.317 1.00 0.00 H new ATOM 127 N PHE A 11 -3.882 0.049 2.932 1.00 0.00 N ATOM 128 CA PHE A 11 -2.830 0.574 3.795 1.00 0.00 C ATOM 129 C PHE A 11 -1.800 1.354 2.983 1.00 0.00 C ATOM 130 O PHE A 11 -1.332 0.889 1.943 1.00 0.00 O ATOM 131 CB PHE A 11 -2.144 -0.566 4.550 1.00 0.00 C ATOM 132 CG PHE A 11 -3.095 -1.423 5.336 1.00 0.00 C ATOM 133 CD1 PHE A 11 -3.478 -1.060 6.617 1.00 0.00 C ATOM 134 CD2 PHE A 11 -3.606 -2.591 4.793 1.00 0.00 C ATOM 135 CE1 PHE A 11 -4.353 -1.846 7.343 1.00 0.00 C ATOM 136 CE2 PHE A 11 -4.482 -3.380 5.514 1.00 0.00 C ATOM 137 CZ PHE A 11 -4.855 -3.008 6.791 1.00 0.00 C ATOM 0 H PHE A 11 -3.545 -0.388 2.074 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.289 1.252 4.514 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -1.608 -1.192 3.837 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -1.401 -0.146 5.228 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -3.088 -0.152 7.053 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -3.317 -2.888 3.796 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -4.644 -1.552 8.341 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -4.875 -4.287 5.079 1.00 0.00 H new ATOM 0 HZ PHE A 11 -5.538 -3.625 7.357 1.00 0.00 H new ATOM 147 N ILE A 12 -1.452 2.542 3.466 1.00 0.00 N ATOM 148 CA ILE A 12 -0.477 3.387 2.787 1.00 0.00 C ATOM 149 C ILE A 12 0.940 3.075 3.254 1.00 0.00 C ATOM 150 O ILE A 12 1.276 3.269 4.422 1.00 0.00 O ATOM 151 CB ILE A 12 -0.767 4.881 3.021 1.00 0.00 C ATOM 152 CG1 ILE A 12 -2.118 5.263 2.413 1.00 0.00 C ATOM 153 CG2 ILE A 12 0.346 5.735 2.431 1.00 0.00 C ATOM 154 CD1 ILE A 12 -2.106 5.320 0.901 1.00 0.00 C ATOM 0 H ILE A 12 -1.831 2.941 4.325 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.561 3.173 1.722 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.809 5.064 4.095 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -2.869 4.542 2.735 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.421 6.235 2.803 1.00 0.00 H new ATOM 0 HG21 ILE A 12 0.127 6.789 2.604 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.293 5.478 2.907 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.417 5.551 1.359 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -3.096 5.597 0.539 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.379 6.062 0.571 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.834 4.343 0.502 1.00 0.00 H new ATOM 166 N MET A 13 1.769 2.593 2.333 1.00 0.00 N ATOM 167 CA MET A 13 3.152 2.258 2.651 1.00 0.00 C ATOM 168 C MET A 13 4.117 3.204 1.942 1.00 0.00 C ATOM 169 O MET A 13 4.278 3.144 0.723 1.00 0.00 O ATOM 170 CB MET A 13 3.453 0.812 2.253 1.00 0.00 C ATOM 171 CG MET A 13 2.323 -0.153 2.571 1.00 0.00 C ATOM 172 SD MET A 13 1.471 0.255 4.107 1.00 0.00 S ATOM 173 CE MET A 13 2.597 -0.441 5.313 1.00 0.00 C ATOM 0 H MET A 13 1.507 2.426 1.361 1.00 0.00 H new ATOM 0 HA MET A 13 3.288 2.367 3.727 1.00 0.00 H new ATOM 0 HB2 MET A 13 3.662 0.774 1.184 1.00 0.00 H new ATOM 0 HB3 MET A 13 4.356 0.483 2.767 1.00 0.00 H new ATOM 0 HG2 MET A 13 1.606 -0.149 1.750 1.00 0.00 H new ATOM 0 HG3 MET A 13 2.723 -1.165 2.640 1.00 0.00 H new ATOM 0 HE1 MET A 13 2.034 -1.022 6.043 1.00 0.00 H new ATOM 0 HE2 MET A 13 3.315 -1.089 4.809 1.00 0.00 H new ATOM 0 HE3 MET A 13 3.129 0.364 5.821 1.00 0.00 H new ATOM 183 N LYS A 14 4.756 4.077 2.714 1.00 0.00 N ATOM 184 CA LYS A 14 5.706 5.035 2.161 1.00 0.00 C ATOM 185 C LYS A 14 7.116 4.454 2.141 1.00 0.00 C ATOM 186 O LYS A 14 7.555 3.832 3.109 1.00 0.00 O ATOM 187 CB LYS A 14 5.688 6.330 2.976 1.00 0.00 C ATOM 188 CG LYS A 14 4.290 6.817 3.313 1.00 0.00 C ATOM 189 CD LYS A 14 3.560 7.317 2.078 1.00 0.00 C ATOM 190 CE LYS A 14 3.984 8.732 1.715 1.00 0.00 C ATOM 191 NZ LYS A 14 3.246 9.245 0.528 1.00 0.00 N ATOM 0 H LYS A 14 4.633 4.141 3.725 1.00 0.00 H new ATOM 0 HA LYS A 14 5.408 5.254 1.136 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.242 6.175 3.901 1.00 0.00 H new ATOM 0 HB3 LYS A 14 6.210 7.108 2.418 1.00 0.00 H new ATOM 0 HG2 LYS A 14 3.722 6.006 3.769 1.00 0.00 H new ATOM 0 HG3 LYS A 14 4.351 7.618 4.050 1.00 0.00 H new ATOM 0 HD2 LYS A 14 3.761 6.650 1.240 1.00 0.00 H new ATOM 0 HD3 LYS A 14 2.485 7.292 2.255 1.00 0.00 H new ATOM 0 HE2 LYS A 14 3.810 9.392 2.564 1.00 0.00 H new ATOM 0 HE3 LYS A 14 5.055 8.749 1.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 3.194 10.283 0.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 3.744 8.961 -0.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 2.284 8.850 0.520 1.00 0.00 H new ATOM 205 N SER A 15 7.822 4.662 1.034 1.00 0.00 N ATOM 206 CA SER A 15 9.182 4.156 0.888 1.00 0.00 C ATOM 207 C SER A 15 10.181 5.305 0.795 1.00 0.00 C ATOM 208 O SER A 15 10.108 6.134 -0.112 1.00 0.00 O ATOM 209 CB SER A 15 9.289 3.270 -0.355 1.00 0.00 C ATOM 210 OG SER A 15 8.581 3.834 -1.445 1.00 0.00 O ATOM 0 H SER A 15 7.475 5.177 0.225 1.00 0.00 H new ATOM 0 HA SER A 15 9.419 3.561 1.770 1.00 0.00 H new ATOM 0 HB2 SER A 15 10.337 3.142 -0.625 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.893 2.279 -0.134 1.00 0.00 H new ATOM 0 HG SER A 15 7.995 3.156 -1.840 1.00 0.00 H new ATOM 216 N SER A 16 11.115 5.347 1.740 1.00 0.00 N ATOM 217 CA SER A 16 12.128 6.396 1.768 1.00 0.00 C ATOM 218 C SER A 16 12.752 6.585 0.389 1.00 0.00 C ATOM 219 O SER A 16 12.785 7.694 -0.143 1.00 0.00 O ATOM 220 CB SER A 16 13.215 6.058 2.790 1.00 0.00 C ATOM 221 OG SER A 16 12.761 6.291 4.112 1.00 0.00 O ATOM 0 H SER A 16 11.191 4.667 2.496 1.00 0.00 H new ATOM 0 HA SER A 16 11.643 7.328 2.059 1.00 0.00 H new ATOM 0 HB2 SER A 16 13.509 5.014 2.682 1.00 0.00 H new ATOM 0 HB3 SER A 16 14.102 6.661 2.595 1.00 0.00 H new ATOM 0 HG SER A 16 13.473 6.066 4.747 1.00 0.00 H new ATOM 227 N ASN A 17 13.247 5.492 -0.185 1.00 0.00 N ATOM 228 CA ASN A 17 13.871 5.537 -1.502 1.00 0.00 C ATOM 229 C ASN A 17 13.098 4.680 -2.500 1.00 0.00 C ATOM 230 O ASN A 17 12.231 3.892 -2.118 1.00 0.00 O ATOM 231 CB ASN A 17 15.322 5.058 -1.418 1.00 0.00 C ATOM 232 CG ASN A 17 16.074 5.261 -2.719 1.00 0.00 C ATOM 233 OD1 ASN A 17 16.328 4.309 -3.457 1.00 0.00 O ATOM 234 ND2 ASN A 17 16.435 6.507 -3.005 1.00 0.00 N ATOM 0 H ASN A 17 13.228 4.566 0.241 1.00 0.00 H new ATOM 0 HA ASN A 17 13.856 6.570 -1.849 1.00 0.00 H new ATOM 0 HB2 ASN A 17 15.833 5.594 -0.619 1.00 0.00 H new ATOM 0 HB3 ASN A 17 15.338 4.001 -1.153 1.00 0.00 H new ATOM 0 HD21 ASN A 17 16.944 6.705 -3.866 1.00 0.00 H new ATOM 0 HD22 ASN A 17 16.203 7.265 -2.363 1.00 0.00 H new ATOM 241 N LEU A 18 13.418 4.838 -3.779 1.00 0.00 N ATOM 242 CA LEU A 18 12.754 4.078 -4.833 1.00 0.00 C ATOM 243 C LEU A 18 13.358 2.683 -4.962 1.00 0.00 C ATOM 244 O LEU A 18 12.637 1.691 -5.071 1.00 0.00 O ATOM 245 CB LEU A 18 12.862 4.818 -6.167 1.00 0.00 C ATOM 246 CG LEU A 18 11.877 4.387 -7.255 1.00 0.00 C ATOM 247 CD1 LEU A 18 11.443 2.945 -7.041 1.00 0.00 C ATOM 248 CD2 LEU A 18 10.670 5.312 -7.279 1.00 0.00 C ATOM 0 H LEU A 18 14.133 5.485 -4.112 1.00 0.00 H new ATOM 0 HA LEU A 18 11.702 3.975 -4.565 1.00 0.00 H new ATOM 0 HB2 LEU A 18 12.724 5.883 -5.981 1.00 0.00 H new ATOM 0 HB3 LEU A 18 13.874 4.690 -6.550 1.00 0.00 H new ATOM 0 HG LEU A 18 12.379 4.454 -8.220 1.00 0.00 H new ATOM 0 HD11 LEU A 18 10.742 2.656 -7.824 1.00 0.00 H new ATOM 0 HD12 LEU A 18 12.316 2.293 -7.076 1.00 0.00 H new ATOM 0 HD13 LEU A 18 10.959 2.851 -6.069 1.00 0.00 H new ATOM 0 HD21 LEU A 18 9.980 4.990 -8.059 1.00 0.00 H new ATOM 0 HD22 LEU A 18 10.166 5.278 -6.313 1.00 0.00 H new ATOM 0 HD23 LEU A 18 10.997 6.332 -7.482 1.00 0.00 H new ATOM 260 N ARG A 19 14.685 2.615 -4.947 1.00 0.00 N ATOM 261 CA ARG A 19 15.386 1.342 -5.061 1.00 0.00 C ATOM 262 C ARG A 19 14.698 0.266 -4.226 1.00 0.00 C ATOM 263 O ARG A 19 14.293 -0.773 -4.747 1.00 0.00 O ATOM 264 CB ARG A 19 16.842 1.495 -4.615 1.00 0.00 C ATOM 265 CG ARG A 19 17.574 0.172 -4.462 1.00 0.00 C ATOM 266 CD ARG A 19 17.692 -0.556 -5.792 1.00 0.00 C ATOM 267 NE ARG A 19 18.895 -1.381 -5.860 1.00 0.00 N ATOM 268 CZ ARG A 19 19.195 -2.161 -6.893 1.00 0.00 C ATOM 269 NH1 ARG A 19 18.383 -2.220 -7.940 1.00 0.00 N ATOM 270 NH2 ARG A 19 20.308 -2.882 -6.880 1.00 0.00 N ATOM 0 H ARG A 19 15.296 3.427 -4.857 1.00 0.00 H new ATOM 0 HA ARG A 19 15.364 1.036 -6.107 1.00 0.00 H new ATOM 0 HB2 ARG A 19 17.372 2.112 -5.340 1.00 0.00 H new ATOM 0 HB3 ARG A 19 16.868 2.027 -3.664 1.00 0.00 H new ATOM 0 HG2 ARG A 19 18.569 0.350 -4.054 1.00 0.00 H new ATOM 0 HG3 ARG A 19 17.044 -0.458 -3.747 1.00 0.00 H new ATOM 0 HD2 ARG A 19 16.813 -1.184 -5.941 1.00 0.00 H new ATOM 0 HD3 ARG A 19 17.705 0.172 -6.603 1.00 0.00 H new ATOM 0 HE ARG A 19 19.541 -1.357 -5.071 1.00 0.00 H new ATOM 0 HH11 ARG A 19 17.527 -1.666 -7.953 1.00 0.00 H new ATOM 0 HH12 ARG A 19 18.615 -2.819 -8.732 1.00 0.00 H new ATOM 0 HH21 ARG A 19 20.935 -2.838 -6.076 1.00 0.00 H new ATOM 0 HH22 ARG A 19 20.537 -3.480 -7.674 1.00 0.00 H new ATOM 284 N ASN A 20 14.570 0.522 -2.928 1.00 0.00 N ATOM 285 CA ASN A 20 13.932 -0.425 -2.021 1.00 0.00 C ATOM 286 C ASN A 20 12.652 -0.987 -2.634 1.00 0.00 C ATOM 287 O ASN A 20 12.302 -2.147 -2.412 1.00 0.00 O ATOM 288 CB ASN A 20 13.617 0.250 -0.685 1.00 0.00 C ATOM 289 CG ASN A 20 14.844 0.875 -0.050 1.00 0.00 C ATOM 290 OD1 ASN A 20 15.966 0.408 -0.248 1.00 0.00 O ATOM 291 ND2 ASN A 20 14.636 1.937 0.719 1.00 0.00 N ATOM 0 H ASN A 20 14.900 1.377 -2.481 1.00 0.00 H new ATOM 0 HA ASN A 20 14.624 -1.249 -1.850 1.00 0.00 H new ATOM 0 HB2 ASN A 20 12.859 1.018 -0.839 1.00 0.00 H new ATOM 0 HB3 ASN A 20 13.192 -0.485 -0.001 1.00 0.00 H new ATOM 0 HD21 ASN A 20 15.423 2.400 1.173 1.00 0.00 H new ATOM 0 HD22 ASN A 20 13.689 2.290 0.855 1.00 0.00 H new ATOM 298 N LEU A 21 11.959 -0.158 -3.406 1.00 0.00 N ATOM 299 CA LEU A 21 10.718 -0.571 -4.052 1.00 0.00 C ATOM 300 C LEU A 21 10.996 -1.541 -5.196 1.00 0.00 C ATOM 301 O LEU A 21 10.254 -2.500 -5.403 1.00 0.00 O ATOM 302 CB LEU A 21 9.961 0.650 -4.577 1.00 0.00 C ATOM 303 CG LEU A 21 8.477 0.442 -4.878 1.00 0.00 C ATOM 304 CD1 LEU A 21 7.674 0.380 -3.588 1.00 0.00 C ATOM 305 CD2 LEU A 21 7.955 1.551 -5.780 1.00 0.00 C ATOM 0 H LEU A 21 12.235 0.805 -3.600 1.00 0.00 H new ATOM 0 HA LEU A 21 10.104 -1.080 -3.309 1.00 0.00 H new ATOM 0 HB2 LEU A 21 10.054 1.452 -3.845 1.00 0.00 H new ATOM 0 HB3 LEU A 21 10.451 0.992 -5.488 1.00 0.00 H new ATOM 0 HG LEU A 21 8.362 -0.508 -5.400 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.620 0.232 -3.822 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.030 -0.450 -2.977 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.796 1.314 -3.039 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.897 1.387 -5.984 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.084 2.514 -5.285 1.00 0.00 H new ATOM 0 HD23 LEU A 21 8.510 1.548 -6.718 1.00 0.00 H new ATOM 317 N GLU A 22 12.072 -1.285 -5.934 1.00 0.00 N ATOM 318 CA GLU A 22 12.449 -2.137 -7.056 1.00 0.00 C ATOM 319 C GLU A 22 12.533 -3.598 -6.625 1.00 0.00 C ATOM 320 O GLU A 22 12.250 -4.504 -7.409 1.00 0.00 O ATOM 321 CB GLU A 22 13.790 -1.687 -7.638 1.00 0.00 C ATOM 322 CG GLU A 22 13.689 -0.454 -8.520 1.00 0.00 C ATOM 323 CD GLU A 22 13.194 -0.774 -9.917 1.00 0.00 C ATOM 324 OE1 GLU A 22 13.747 -1.703 -10.543 1.00 0.00 O ATOM 325 OE2 GLU A 22 12.254 -0.097 -10.384 1.00 0.00 O ATOM 0 H GLU A 22 12.697 -0.495 -5.775 1.00 0.00 H new ATOM 0 HA GLU A 22 11.680 -2.046 -7.823 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.481 -1.482 -6.820 1.00 0.00 H new ATOM 0 HB3 GLU A 22 14.217 -2.505 -8.219 1.00 0.00 H new ATOM 0 HG2 GLU A 22 13.015 0.266 -8.056 1.00 0.00 H new ATOM 0 HG3 GLU A 22 14.667 0.022 -8.586 1.00 0.00 H new ATOM 332 N ILE A 23 12.924 -3.819 -5.374 1.00 0.00 N ATOM 333 CA ILE A 23 13.045 -5.169 -4.839 1.00 0.00 C ATOM 334 C ILE A 23 11.702 -5.891 -4.860 1.00 0.00 C ATOM 335 O ILE A 23 11.646 -7.118 -4.940 1.00 0.00 O ATOM 336 CB ILE A 23 13.586 -5.157 -3.397 1.00 0.00 C ATOM 337 CG1 ILE A 23 15.055 -4.727 -3.384 1.00 0.00 C ATOM 338 CG2 ILE A 23 13.424 -6.528 -2.759 1.00 0.00 C ATOM 339 CD1 ILE A 23 15.259 -3.263 -3.703 1.00 0.00 C ATOM 0 H ILE A 23 13.162 -3.080 -4.712 1.00 0.00 H new ATOM 0 HA ILE A 23 13.750 -5.700 -5.479 1.00 0.00 H new ATOM 0 HB ILE A 23 13.011 -4.437 -2.815 1.00 0.00 H new ATOM 0 HG12 ILE A 23 15.478 -4.939 -2.402 1.00 0.00 H new ATOM 0 HG13 ILE A 23 15.608 -5.328 -4.106 1.00 0.00 H new ATOM 0 HG21 ILE A 23 13.811 -6.503 -1.740 1.00 0.00 H new ATOM 0 HG22 ILE A 23 12.368 -6.798 -2.740 1.00 0.00 H new ATOM 0 HG23 ILE A 23 13.977 -7.267 -3.339 1.00 0.00 H new ATOM 0 HD11 ILE A 23 16.323 -3.030 -3.676 1.00 0.00 H new ATOM 0 HD12 ILE A 23 14.866 -3.049 -4.697 1.00 0.00 H new ATOM 0 HD13 ILE A 23 14.735 -2.654 -2.967 1.00 0.00 H new ATOM 351 N SER A 24 10.621 -5.120 -4.789 1.00 0.00 N ATOM 352 CA SER A 24 9.277 -5.686 -4.797 1.00 0.00 C ATOM 353 C SER A 24 8.806 -5.947 -6.225 1.00 0.00 C ATOM 354 O SER A 24 7.883 -6.728 -6.452 1.00 0.00 O ATOM 355 CB SER A 24 8.300 -4.745 -4.090 1.00 0.00 C ATOM 356 OG SER A 24 7.055 -5.382 -3.860 1.00 0.00 O ATOM 0 H SER A 24 10.650 -4.102 -4.725 1.00 0.00 H new ATOM 0 HA SER A 24 9.306 -6.636 -4.263 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.726 -4.419 -3.141 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.149 -3.851 -4.695 1.00 0.00 H new ATOM 0 HG SER A 24 6.328 -4.743 -4.010 1.00 0.00 H new ATOM 362 N GLN A 25 9.449 -5.286 -7.183 1.00 0.00 N ATOM 363 CA GLN A 25 9.096 -5.446 -8.589 1.00 0.00 C ATOM 364 C GLN A 25 9.874 -6.596 -9.218 1.00 0.00 C ATOM 365 O GLN A 25 9.415 -7.216 -10.178 1.00 0.00 O ATOM 366 CB GLN A 25 9.370 -4.150 -9.355 1.00 0.00 C ATOM 367 CG GLN A 25 8.419 -3.019 -8.997 1.00 0.00 C ATOM 368 CD GLN A 25 8.613 -1.795 -9.869 1.00 0.00 C ATOM 369 OE1 GLN A 25 9.171 -1.881 -10.964 1.00 0.00 O ATOM 370 NE2 GLN A 25 8.153 -0.646 -9.388 1.00 0.00 N ATOM 0 H GLN A 25 10.216 -4.636 -7.011 1.00 0.00 H new ATOM 0 HA GLN A 25 8.032 -5.677 -8.647 1.00 0.00 H new ATOM 0 HB2 GLN A 25 10.393 -3.830 -9.157 1.00 0.00 H new ATOM 0 HB3 GLN A 25 9.300 -4.348 -10.425 1.00 0.00 H new ATOM 0 HG2 GLN A 25 7.391 -3.370 -9.093 1.00 0.00 H new ATOM 0 HG3 GLN A 25 8.565 -2.743 -7.953 1.00 0.00 H new ATOM 0 HE21 GLN A 25 7.697 -0.621 -8.476 1.00 0.00 H new ATOM 0 HE22 GLN A 25 8.255 0.212 -9.931 1.00 0.00 H new ATOM 379 N GLN A 26 11.053 -6.876 -8.672 1.00 0.00 N ATOM 380 CA GLN A 26 11.894 -7.953 -9.182 1.00 0.00 C ATOM 381 C GLN A 26 11.736 -9.213 -8.338 1.00 0.00 C ATOM 382 O GLN A 26 11.316 -10.258 -8.837 1.00 0.00 O ATOM 383 CB GLN A 26 13.361 -7.517 -9.199 1.00 0.00 C ATOM 384 CG GLN A 26 13.592 -6.186 -9.895 1.00 0.00 C ATOM 385 CD GLN A 26 13.751 -6.332 -11.396 1.00 0.00 C ATOM 386 OE1 GLN A 26 12.809 -6.702 -12.098 1.00 0.00 O ATOM 387 NE2 GLN A 26 14.946 -6.043 -11.896 1.00 0.00 N ATOM 0 H GLN A 26 11.447 -6.373 -7.877 1.00 0.00 H new ATOM 0 HA GLN A 26 11.576 -8.178 -10.200 1.00 0.00 H new ATOM 0 HB2 GLN A 26 13.723 -7.449 -8.173 1.00 0.00 H new ATOM 0 HB3 GLN A 26 13.954 -8.285 -9.696 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.755 -5.521 -9.685 1.00 0.00 H new ATOM 0 HG3 GLN A 26 14.484 -5.715 -9.483 1.00 0.00 H new ATOM 0 HE21 GLN A 26 15.698 -5.740 -11.277 1.00 0.00 H new ATOM 0 HE22 GLN A 26 15.112 -6.124 -12.899 1.00 0.00 H new ATOM 396 N LYS A 27 12.074 -9.109 -7.058 1.00 0.00 N ATOM 397 CA LYS A 27 11.969 -10.240 -6.144 1.00 0.00 C ATOM 398 C LYS A 27 10.508 -10.594 -5.882 1.00 0.00 C ATOM 399 O LYS A 27 10.178 -11.748 -5.610 1.00 0.00 O ATOM 400 CB LYS A 27 12.672 -9.922 -4.822 1.00 0.00 C ATOM 401 CG LYS A 27 13.974 -9.159 -4.995 1.00 0.00 C ATOM 402 CD LYS A 27 14.871 -9.814 -6.031 1.00 0.00 C ATOM 403 CE LYS A 27 16.315 -9.356 -5.887 1.00 0.00 C ATOM 404 NZ LYS A 27 17.053 -10.161 -4.875 1.00 0.00 N ATOM 0 H LYS A 27 12.423 -8.252 -6.629 1.00 0.00 H new ATOM 0 HA LYS A 27 12.455 -11.097 -6.610 1.00 0.00 H new ATOM 0 HB2 LYS A 27 11.999 -9.339 -4.193 1.00 0.00 H new ATOM 0 HB3 LYS A 27 12.874 -10.854 -4.294 1.00 0.00 H new ATOM 0 HG2 LYS A 27 13.759 -8.134 -5.295 1.00 0.00 H new ATOM 0 HG3 LYS A 27 14.497 -9.108 -4.040 1.00 0.00 H new ATOM 0 HD2 LYS A 27 14.820 -10.898 -5.926 1.00 0.00 H new ATOM 0 HD3 LYS A 27 14.510 -9.574 -7.031 1.00 0.00 H new ATOM 0 HE2 LYS A 27 16.819 -9.434 -6.851 1.00 0.00 H new ATOM 0 HE3 LYS A 27 16.336 -8.305 -5.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 18.056 -9.887 -4.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 16.650 -9.987 -3.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 16.969 -11.171 -5.107 1.00 0.00 H new ATOM 418 N GLY A 28 9.637 -9.594 -5.968 1.00 0.00 N ATOM 419 CA GLY A 28 8.222 -9.821 -5.739 1.00 0.00 C ATOM 420 C GLY A 28 7.878 -9.895 -4.264 1.00 0.00 C ATOM 421 O GLY A 28 6.975 -10.632 -3.867 1.00 0.00 O ATOM 0 H GLY A 28 9.886 -8.631 -6.192 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.649 -9.018 -6.203 1.00 0.00 H new ATOM 0 HA3 GLY A 28 7.923 -10.749 -6.226 1.00 0.00 H new ATOM 425 N ILE A 29 8.599 -9.131 -3.451 1.00 0.00 N ATOM 426 CA ILE A 29 8.366 -9.115 -2.012 1.00 0.00 C ATOM 427 C ILE A 29 8.632 -7.731 -1.428 1.00 0.00 C ATOM 428 O ILE A 29 9.328 -6.915 -2.031 1.00 0.00 O ATOM 429 CB ILE A 29 9.250 -10.145 -1.286 1.00 0.00 C ATOM 430 CG1 ILE A 29 10.653 -10.167 -1.898 1.00 0.00 C ATOM 431 CG2 ILE A 29 8.617 -11.527 -1.351 1.00 0.00 C ATOM 432 CD1 ILE A 29 11.531 -9.025 -1.437 1.00 0.00 C ATOM 0 H ILE A 29 9.349 -8.515 -3.764 1.00 0.00 H new ATOM 0 HA ILE A 29 7.319 -9.377 -1.859 1.00 0.00 H new ATOM 0 HB ILE A 29 9.335 -9.855 -0.239 1.00 0.00 H new ATOM 0 HG12 ILE A 29 11.136 -11.111 -1.645 1.00 0.00 H new ATOM 0 HG13 ILE A 29 10.567 -10.133 -2.984 1.00 0.00 H new ATOM 0 HG21 ILE A 29 9.254 -12.244 -0.833 1.00 0.00 H new ATOM 0 HG22 ILE A 29 7.637 -11.501 -0.874 1.00 0.00 H new ATOM 0 HG23 ILE A 29 8.505 -11.827 -2.393 1.00 0.00 H new ATOM 0 HD11 ILE A 29 12.510 -9.104 -1.911 1.00 0.00 H new ATOM 0 HD12 ILE A 29 11.070 -8.077 -1.714 1.00 0.00 H new ATOM 0 HD13 ILE A 29 11.647 -9.070 -0.354 1.00 0.00 H new ATOM 444 N TRP A 30 8.074 -7.476 -0.250 1.00 0.00 N ATOM 445 CA TRP A 30 8.252 -6.191 0.417 1.00 0.00 C ATOM 446 C TRP A 30 8.445 -6.379 1.918 1.00 0.00 C ATOM 447 O TRP A 30 7.814 -7.240 2.531 1.00 0.00 O ATOM 448 CB TRP A 30 7.048 -5.285 0.155 1.00 0.00 C ATOM 449 CG TRP A 30 7.156 -3.946 0.820 1.00 0.00 C ATOM 450 CD1 TRP A 30 6.428 -3.499 1.885 1.00 0.00 C ATOM 451 CD2 TRP A 30 8.042 -2.881 0.461 1.00 0.00 C ATOM 452 NE1 TRP A 30 6.809 -2.220 2.211 1.00 0.00 N ATOM 453 CE2 TRP A 30 7.798 -1.818 1.353 1.00 0.00 C ATOM 454 CE3 TRP A 30 9.020 -2.721 -0.525 1.00 0.00 C ATOM 455 CZ2 TRP A 30 8.495 -0.615 1.286 1.00 0.00 C ATOM 456 CZ3 TRP A 30 9.711 -1.526 -0.590 1.00 0.00 C ATOM 457 CH2 TRP A 30 9.447 -0.486 0.310 1.00 0.00 C ATOM 0 H TRP A 30 7.495 -8.141 0.263 1.00 0.00 H new ATOM 0 HA TRP A 30 9.147 -5.720 0.010 1.00 0.00 H new ATOM 0 HB2 TRP A 30 6.938 -5.141 -0.920 1.00 0.00 H new ATOM 0 HB3 TRP A 30 6.144 -5.784 0.504 1.00 0.00 H new ATOM 0 HD1 TRP A 30 5.665 -4.067 2.396 1.00 0.00 H new ATOM 0 HE1 TRP A 30 6.419 -1.660 2.969 1.00 0.00 H new ATOM 0 HE3 TRP A 30 9.232 -3.517 -1.223 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 8.292 0.188 1.979 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 10.468 -1.392 -1.348 1.00 0.00 H new ATOM 0 HH2 TRP A 30 10.005 0.436 0.233 1.00 0.00 H new ATOM 468 N SER A 31 9.321 -5.569 2.504 1.00 0.00 N ATOM 469 CA SER A 31 9.600 -5.649 3.933 1.00 0.00 C ATOM 470 C SER A 31 9.336 -4.310 4.614 1.00 0.00 C ATOM 471 O SER A 31 10.054 -3.334 4.390 1.00 0.00 O ATOM 472 CB SER A 31 11.049 -6.078 4.168 1.00 0.00 C ATOM 473 OG SER A 31 11.274 -7.396 3.700 1.00 0.00 O ATOM 0 H SER A 31 9.850 -4.850 2.011 1.00 0.00 H new ATOM 0 HA SER A 31 8.934 -6.394 4.367 1.00 0.00 H new ATOM 0 HB2 SER A 31 11.723 -5.388 3.659 1.00 0.00 H new ATOM 0 HB3 SER A 31 11.280 -6.022 5.232 1.00 0.00 H new ATOM 0 HG SER A 31 11.879 -7.371 2.929 1.00 0.00 H new ATOM 479 N THR A 32 8.301 -4.269 5.446 1.00 0.00 N ATOM 480 CA THR A 32 7.941 -3.051 6.160 1.00 0.00 C ATOM 481 C THR A 32 8.289 -3.157 7.640 1.00 0.00 C ATOM 482 O THR A 32 8.664 -4.224 8.126 1.00 0.00 O ATOM 483 CB THR A 32 6.439 -2.740 6.018 1.00 0.00 C ATOM 484 OG1 THR A 32 6.177 -1.391 6.422 1.00 0.00 O ATOM 485 CG2 THR A 32 5.606 -3.697 6.858 1.00 0.00 C ATOM 0 H THR A 32 7.696 -5.067 5.642 1.00 0.00 H new ATOM 0 HA THR A 32 8.516 -2.241 5.712 1.00 0.00 H new ATOM 0 HB THR A 32 6.162 -2.865 4.971 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.220 -1.201 6.327 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.549 -3.458 6.741 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.785 -4.720 6.528 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.887 -3.599 7.907 1.00 0.00 H new ATOM 493 N THR A 33 8.161 -2.043 8.354 1.00 0.00 N ATOM 494 CA THR A 33 8.462 -2.011 9.780 1.00 0.00 C ATOM 495 C THR A 33 7.620 -3.026 10.543 1.00 0.00 C ATOM 496 O THR A 33 6.442 -3.236 10.251 1.00 0.00 O ATOM 497 CB THR A 33 8.221 -0.610 10.374 1.00 0.00 C ATOM 498 OG1 THR A 33 8.866 -0.500 11.647 1.00 0.00 O ATOM 499 CG2 THR A 33 6.732 -0.337 10.528 1.00 0.00 C ATOM 0 H THR A 33 7.851 -1.151 7.968 1.00 0.00 H new ATOM 0 HA THR A 33 9.517 -2.266 9.886 1.00 0.00 H new ATOM 0 HB THR A 33 8.641 0.128 9.690 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.709 0.394 12.017 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.586 0.658 10.949 1.00 0.00 H new ATOM 0 HG22 THR A 33 6.249 -0.392 9.552 1.00 0.00 H new ATOM 0 HG23 THR A 33 6.293 -1.081 11.193 1.00 0.00 H new ATOM 507 N PRO A 34 8.234 -3.671 11.546 1.00 0.00 N ATOM 508 CA PRO A 34 7.557 -4.675 12.373 1.00 0.00 C ATOM 509 C PRO A 34 6.502 -4.059 13.285 1.00 0.00 C ATOM 510 O PRO A 34 5.895 -4.750 14.104 1.00 0.00 O ATOM 511 CB PRO A 34 8.695 -5.277 13.202 1.00 0.00 C ATOM 512 CG PRO A 34 9.730 -4.207 13.258 1.00 0.00 C ATOM 513 CD PRO A 34 9.636 -3.471 11.950 1.00 0.00 C ATOM 0 HA PRO A 34 7.019 -5.405 11.769 1.00 0.00 H new ATOM 0 HB2 PRO A 34 8.355 -5.552 14.201 1.00 0.00 H new ATOM 0 HB3 PRO A 34 9.086 -6.183 12.738 1.00 0.00 H new ATOM 0 HG2 PRO A 34 9.552 -3.535 14.098 1.00 0.00 H new ATOM 0 HG3 PRO A 34 10.724 -4.632 13.396 1.00 0.00 H new ATOM 0 HD2 PRO A 34 9.874 -2.414 12.066 1.00 0.00 H new ATOM 0 HD3 PRO A 34 10.329 -3.874 11.211 1.00 0.00 H new ATOM 521 N SER A 35 6.289 -2.755 13.139 1.00 0.00 N ATOM 522 CA SER A 35 5.309 -2.045 13.953 1.00 0.00 C ATOM 523 C SER A 35 3.995 -1.874 13.195 1.00 0.00 C ATOM 524 O SER A 35 2.981 -1.480 13.770 1.00 0.00 O ATOM 525 CB SER A 35 5.853 -0.676 14.366 1.00 0.00 C ATOM 526 OG SER A 35 6.839 -0.804 15.377 1.00 0.00 O ATOM 0 H SER A 35 6.782 -2.169 12.465 1.00 0.00 H new ATOM 0 HA SER A 35 5.119 -2.638 14.848 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.280 -0.174 13.498 1.00 0.00 H new ATOM 0 HB3 SER A 35 5.037 -0.050 14.727 1.00 0.00 H new ATOM 0 HG SER A 35 7.173 0.084 15.623 1.00 0.00 H new ATOM 532 N ASN A 36 4.022 -2.174 11.901 1.00 0.00 N ATOM 533 CA ASN A 36 2.835 -2.054 11.063 1.00 0.00 C ATOM 534 C ASN A 36 2.579 -3.346 10.293 1.00 0.00 C ATOM 535 O ASN A 36 1.774 -3.376 9.363 1.00 0.00 O ATOM 536 CB ASN A 36 2.990 -0.887 10.087 1.00 0.00 C ATOM 537 CG ASN A 36 3.780 0.263 10.681 1.00 0.00 C ATOM 538 OD1 ASN A 36 3.859 0.412 11.901 1.00 0.00 O ATOM 539 ND2 ASN A 36 4.369 1.084 9.820 1.00 0.00 N ATOM 0 H ASN A 36 4.853 -2.502 11.410 1.00 0.00 H new ATOM 0 HA ASN A 36 1.980 -1.864 11.712 1.00 0.00 H new ATOM 0 HB2 ASN A 36 3.488 -1.237 9.183 1.00 0.00 H new ATOM 0 HB3 ASN A 36 2.003 -0.531 9.791 1.00 0.00 H new ATOM 0 HD21 ASN A 36 4.914 1.876 10.161 1.00 0.00 H new ATOM 0 HD22 ASN A 36 4.277 0.923 8.817 1.00 0.00 H new ATOM 546 N GLU A 37 3.271 -4.411 10.687 1.00 0.00 N ATOM 547 CA GLU A 37 3.119 -5.705 10.033 1.00 0.00 C ATOM 548 C GLU A 37 1.930 -6.469 10.609 1.00 0.00 C ATOM 549 O GLU A 37 1.142 -7.061 9.871 1.00 0.00 O ATOM 550 CB GLU A 37 4.396 -6.533 10.188 1.00 0.00 C ATOM 551 CG GLU A 37 5.494 -6.146 9.212 1.00 0.00 C ATOM 552 CD GLU A 37 6.772 -6.933 9.431 1.00 0.00 C ATOM 553 OE1 GLU A 37 6.944 -7.489 10.536 1.00 0.00 O ATOM 554 OE2 GLU A 37 7.601 -6.992 8.499 1.00 0.00 O ATOM 0 H GLU A 37 3.942 -4.403 11.455 1.00 0.00 H new ATOM 0 HA GLU A 37 2.936 -5.529 8.973 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.770 -6.421 11.206 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.154 -7.587 10.051 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.143 -6.307 8.193 1.00 0.00 H new ATOM 0 HG3 GLU A 37 5.705 -5.081 9.312 1.00 0.00 H new ATOM 561 N ARG A 38 1.809 -6.453 11.933 1.00 0.00 N ATOM 562 CA ARG A 38 0.719 -7.146 12.609 1.00 0.00 C ATOM 563 C ARG A 38 -0.568 -7.060 11.794 1.00 0.00 C ATOM 564 O ARG A 38 -1.189 -8.077 11.484 1.00 0.00 O ATOM 565 CB ARG A 38 0.495 -6.552 14.001 1.00 0.00 C ATOM 566 CG ARG A 38 -0.709 -7.133 14.724 1.00 0.00 C ATOM 567 CD ARG A 38 -1.963 -6.312 14.465 1.00 0.00 C ATOM 568 NE ARG A 38 -2.141 -5.257 15.459 1.00 0.00 N ATOM 569 CZ ARG A 38 -2.563 -5.478 16.699 1.00 0.00 C ATOM 570 NH1 ARG A 38 -2.847 -6.711 17.096 1.00 0.00 N ATOM 571 NH2 ARG A 38 -2.699 -4.466 17.545 1.00 0.00 N ATOM 0 H ARG A 38 2.452 -5.968 12.558 1.00 0.00 H new ATOM 0 HA ARG A 38 0.995 -8.196 12.709 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.387 -6.718 14.606 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.368 -5.473 13.910 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -0.871 -8.160 14.397 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -0.510 -7.168 15.795 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -1.907 -5.868 13.471 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -2.834 -6.968 14.472 1.00 0.00 H new ATOM 0 HE ARG A 38 -1.930 -4.297 15.186 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -2.742 -7.492 16.449 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -3.171 -6.878 18.049 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -2.480 -3.517 17.244 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -3.023 -4.637 18.497 1.00 0.00 H new ATOM 585 N LYS A 39 -0.964 -5.839 11.450 1.00 0.00 N ATOM 586 CA LYS A 39 -2.176 -5.618 10.671 1.00 0.00 C ATOM 587 C LYS A 39 -2.107 -6.354 9.336 1.00 0.00 C ATOM 588 O LYS A 39 -2.927 -7.229 9.055 1.00 0.00 O ATOM 589 CB LYS A 39 -2.386 -4.122 10.429 1.00 0.00 C ATOM 590 CG LYS A 39 -1.155 -3.413 9.891 1.00 0.00 C ATOM 591 CD LYS A 39 -1.097 -1.967 10.355 1.00 0.00 C ATOM 592 CE LYS A 39 -1.825 -1.043 9.391 1.00 0.00 C ATOM 593 NZ LYS A 39 -0.917 -0.516 8.335 1.00 0.00 N ATOM 0 H LYS A 39 -0.462 -4.987 11.699 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.019 -6.010 11.240 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.208 -3.988 9.726 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.687 -3.650 11.364 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.258 -3.938 10.221 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -1.162 -3.447 8.802 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -1.542 -1.884 11.347 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -0.057 -1.654 10.445 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -2.650 -1.582 8.925 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -2.260 -0.211 9.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.782 0.506 8.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.003 -0.998 8.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -1.336 -0.688 7.399 1.00 0.00 H new ATOM 607 N LEU A 40 -1.123 -5.995 8.519 1.00 0.00 N ATOM 608 CA LEU A 40 -0.946 -6.623 7.214 1.00 0.00 C ATOM 609 C LEU A 40 -1.115 -8.136 7.310 1.00 0.00 C ATOM 610 O LEU A 40 -1.747 -8.755 6.455 1.00 0.00 O ATOM 611 CB LEU A 40 0.435 -6.288 6.648 1.00 0.00 C ATOM 612 CG LEU A 40 0.826 -4.810 6.662 1.00 0.00 C ATOM 613 CD1 LEU A 40 2.206 -4.616 6.053 1.00 0.00 C ATOM 614 CD2 LEU A 40 -0.209 -3.978 5.919 1.00 0.00 C ATOM 0 H LEU A 40 -0.436 -5.273 8.737 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.712 -6.232 6.544 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.182 -6.846 7.213 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.480 -6.645 5.619 1.00 0.00 H new ATOM 0 HG LEU A 40 0.859 -4.473 7.698 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.467 -3.558 6.072 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.940 -5.181 6.628 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.202 -4.970 5.022 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.085 -2.929 5.939 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.274 -4.317 4.885 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.181 -4.092 6.400 1.00 0.00 H new ATOM 626 N ASN A 41 -0.548 -8.725 8.358 1.00 0.00 N ATOM 627 CA ASN A 41 -0.638 -10.165 8.567 1.00 0.00 C ATOM 628 C ASN A 41 -2.057 -10.572 8.951 1.00 0.00 C ATOM 629 O ASN A 41 -2.702 -11.351 8.248 1.00 0.00 O ATOM 630 CB ASN A 41 0.343 -10.605 9.656 1.00 0.00 C ATOM 631 CG ASN A 41 0.836 -12.025 9.450 1.00 0.00 C ATOM 632 OD1 ASN A 41 0.469 -12.687 8.479 1.00 0.00 O ATOM 633 ND2 ASN A 41 1.672 -12.499 10.366 1.00 0.00 N ATOM 0 H ASN A 41 -0.021 -8.227 9.076 1.00 0.00 H new ATOM 0 HA ASN A 41 -0.378 -10.660 7.631 1.00 0.00 H new ATOM 0 HB2 ASN A 41 1.195 -9.926 9.670 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -0.141 -10.529 10.630 1.00 0.00 H new ATOM 0 HD21 ASN A 41 2.037 -13.448 10.281 1.00 0.00 H new ATOM 0 HD22 ASN A 41 1.949 -11.915 11.155 1.00 0.00 H new ATOM 640 N ARG A 42 -2.538 -10.038 10.069 1.00 0.00 N ATOM 641 CA ARG A 42 -3.881 -10.346 10.546 1.00 0.00 C ATOM 642 C ARG A 42 -4.924 -10.016 9.483 1.00 0.00 C ATOM 643 O ARG A 42 -5.626 -10.900 8.993 1.00 0.00 O ATOM 644 CB ARG A 42 -4.179 -9.567 11.829 1.00 0.00 C ATOM 645 CG ARG A 42 -5.334 -10.141 12.635 1.00 0.00 C ATOM 646 CD ARG A 42 -4.941 -11.438 13.325 1.00 0.00 C ATOM 647 NE ARG A 42 -6.102 -12.271 13.625 1.00 0.00 N ATOM 648 CZ ARG A 42 -6.846 -12.129 14.716 1.00 0.00 C ATOM 649 NH1 ARG A 42 -6.552 -11.191 15.606 1.00 0.00 N ATOM 650 NH2 ARG A 42 -7.887 -12.926 14.919 1.00 0.00 N ATOM 0 H ARG A 42 -2.018 -9.390 10.661 1.00 0.00 H new ATOM 0 HA ARG A 42 -3.930 -11.414 10.758 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -3.284 -9.552 12.451 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -4.405 -8.532 11.572 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -5.656 -9.414 13.381 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -6.184 -10.321 11.977 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -4.251 -11.993 12.689 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -4.409 -11.211 14.249 1.00 0.00 H new ATOM 0 HE ARG A 42 -6.356 -13.002 12.960 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -5.753 -10.576 15.454 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -7.125 -11.084 16.443 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -8.117 -13.649 14.237 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -8.458 -12.816 15.757 1.00 0.00 H new ATOM 664 N ALA A 43 -5.021 -8.738 9.133 1.00 0.00 N ATOM 665 CA ALA A 43 -5.977 -8.292 8.128 1.00 0.00 C ATOM 666 C ALA A 43 -6.038 -9.266 6.956 1.00 0.00 C ATOM 667 O ALA A 43 -7.118 -9.600 6.469 1.00 0.00 O ATOM 668 CB ALA A 43 -5.617 -6.897 7.638 1.00 0.00 C ATOM 0 H ALA A 43 -4.449 -7.993 9.531 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.963 -8.260 8.591 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.340 -6.577 6.888 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.633 -6.201 8.477 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.620 -6.912 7.198 1.00 0.00 H new ATOM 674 N PHE A 44 -4.871 -9.718 6.508 1.00 0.00 N ATOM 675 CA PHE A 44 -4.791 -10.653 5.392 1.00 0.00 C ATOM 676 C PHE A 44 -5.783 -11.799 5.571 1.00 0.00 C ATOM 677 O PHE A 44 -6.426 -12.232 4.614 1.00 0.00 O ATOM 678 CB PHE A 44 -3.371 -11.209 5.265 1.00 0.00 C ATOM 679 CG PHE A 44 -3.131 -11.953 3.983 1.00 0.00 C ATOM 680 CD1 PHE A 44 -3.822 -13.121 3.704 1.00 0.00 C ATOM 681 CD2 PHE A 44 -2.215 -11.484 3.055 1.00 0.00 C ATOM 682 CE1 PHE A 44 -3.602 -13.808 2.525 1.00 0.00 C ATOM 683 CE2 PHE A 44 -1.991 -12.166 1.874 1.00 0.00 C ATOM 684 CZ PHE A 44 -2.687 -13.329 1.609 1.00 0.00 C ATOM 0 H PHE A 44 -3.968 -9.452 6.901 1.00 0.00 H new ATOM 0 HA PHE A 44 -5.046 -10.113 4.480 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -2.660 -10.386 5.337 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -3.174 -11.875 6.105 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.541 -13.499 4.416 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -1.669 -10.574 3.257 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -4.145 -14.719 2.321 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -1.273 -11.790 1.160 1.00 0.00 H new ATOM 0 HZ PHE A 44 -2.516 -13.863 0.686 1.00 0.00 H new ATOM 694 N TRP A 45 -5.901 -12.285 6.801 1.00 0.00 N ATOM 695 CA TRP A 45 -6.814 -13.381 7.105 1.00 0.00 C ATOM 696 C TRP A 45 -8.195 -12.852 7.475 1.00 0.00 C ATOM 697 O TRP A 45 -9.209 -13.343 6.980 1.00 0.00 O ATOM 698 CB TRP A 45 -6.258 -14.233 8.248 1.00 0.00 C ATOM 699 CG TRP A 45 -4.760 -14.286 8.275 1.00 0.00 C ATOM 700 CD1 TRP A 45 -3.924 -14.381 7.199 1.00 0.00 C ATOM 701 CD2 TRP A 45 -3.922 -14.250 9.435 1.00 0.00 C ATOM 702 NE1 TRP A 45 -2.617 -14.406 7.621 1.00 0.00 N ATOM 703 CE2 TRP A 45 -2.589 -14.326 8.988 1.00 0.00 C ATOM 704 CE3 TRP A 45 -4.168 -14.159 10.808 1.00 0.00 C ATOM 705 CZ2 TRP A 45 -1.508 -14.315 9.866 1.00 0.00 C ATOM 706 CZ3 TRP A 45 -3.094 -14.148 11.677 1.00 0.00 C ATOM 707 CH2 TRP A 45 -1.778 -14.225 11.204 1.00 0.00 C ATOM 0 H TRP A 45 -5.376 -11.938 7.604 1.00 0.00 H new ATOM 0 HA TRP A 45 -6.909 -14.000 6.213 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -6.617 -13.835 9.197 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -6.649 -15.247 8.159 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -4.243 -14.429 6.168 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -1.800 -14.473 7.014 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -5.179 -14.098 11.183 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -0.493 -14.375 9.503 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -3.272 -14.079 12.740 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -0.960 -14.213 11.909 1.00 0.00 H new ATOM 718 N GLU A 46 -8.227 -11.849 8.346 1.00 0.00 N ATOM 719 CA GLU A 46 -9.486 -11.255 8.781 1.00 0.00 C ATOM 720 C GLU A 46 -10.255 -10.682 7.594 1.00 0.00 C ATOM 721 O GLU A 46 -11.462 -10.454 7.675 1.00 0.00 O ATOM 722 CB GLU A 46 -9.227 -10.156 9.813 1.00 0.00 C ATOM 723 CG GLU A 46 -8.921 -10.687 11.204 1.00 0.00 C ATOM 724 CD GLU A 46 -9.125 -9.643 12.285 1.00 0.00 C ATOM 725 OE1 GLU A 46 -10.179 -8.974 12.273 1.00 0.00 O ATOM 726 OE2 GLU A 46 -8.229 -9.497 13.143 1.00 0.00 O ATOM 0 H GLU A 46 -7.396 -11.431 8.764 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.089 -12.039 9.239 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.392 -9.542 9.476 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.100 -9.505 9.865 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.559 -11.547 11.409 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -7.890 -11.040 11.235 1.00 0.00 H new ATOM 733 N SER A 47 -9.547 -10.450 6.493 1.00 0.00 N ATOM 734 CA SER A 47 -10.161 -9.899 5.291 1.00 0.00 C ATOM 735 C SER A 47 -9.888 -10.792 4.084 1.00 0.00 C ATOM 736 O SER A 47 -9.168 -11.785 4.182 1.00 0.00 O ATOM 737 CB SER A 47 -9.636 -8.487 5.025 1.00 0.00 C ATOM 738 OG SER A 47 -10.428 -7.516 5.686 1.00 0.00 O ATOM 0 H SER A 47 -8.547 -10.635 6.409 1.00 0.00 H new ATOM 0 HA SER A 47 -11.238 -9.853 5.451 1.00 0.00 H new ATOM 0 HB2 SER A 47 -8.603 -8.410 5.364 1.00 0.00 H new ATOM 0 HB3 SER A 47 -9.635 -8.292 3.953 1.00 0.00 H new ATOM 0 HG SER A 47 -11.098 -7.162 5.064 1.00 0.00 H new ATOM 744 N SER A 48 -10.469 -10.429 2.944 1.00 0.00 N ATOM 745 CA SER A 48 -10.292 -11.198 1.718 1.00 0.00 C ATOM 746 C SER A 48 -8.963 -10.859 1.051 1.00 0.00 C ATOM 747 O SER A 48 -8.224 -11.748 0.627 1.00 0.00 O ATOM 748 CB SER A 48 -11.445 -10.926 0.750 1.00 0.00 C ATOM 749 OG SER A 48 -12.516 -11.829 0.965 1.00 0.00 O ATOM 0 H SER A 48 -11.066 -9.608 2.845 1.00 0.00 H new ATOM 0 HA SER A 48 -10.288 -12.256 1.979 1.00 0.00 H new ATOM 0 HB2 SER A 48 -11.797 -9.902 0.878 1.00 0.00 H new ATOM 0 HB3 SER A 48 -11.091 -11.015 -0.277 1.00 0.00 H new ATOM 0 HG SER A 48 -13.241 -11.633 0.335 1.00 0.00 H new ATOM 755 N ILE A 49 -8.665 -9.567 0.962 1.00 0.00 N ATOM 756 CA ILE A 49 -7.425 -9.110 0.349 1.00 0.00 C ATOM 757 C ILE A 49 -6.821 -7.947 1.130 1.00 0.00 C ATOM 758 O ILE A 49 -7.447 -7.405 2.041 1.00 0.00 O ATOM 759 CB ILE A 49 -7.647 -8.672 -1.111 1.00 0.00 C ATOM 760 CG1 ILE A 49 -8.618 -9.626 -1.810 1.00 0.00 C ATOM 761 CG2 ILE A 49 -6.321 -8.617 -1.855 1.00 0.00 C ATOM 762 CD1 ILE A 49 -9.119 -9.110 -3.141 1.00 0.00 C ATOM 0 H ILE A 49 -9.266 -8.818 1.307 1.00 0.00 H new ATOM 0 HA ILE A 49 -6.735 -9.954 0.366 1.00 0.00 H new ATOM 0 HB ILE A 49 -8.084 -7.673 -1.113 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -8.124 -10.586 -1.964 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -9.471 -9.808 -1.156 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.494 -8.306 -2.885 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.659 -7.902 -1.367 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.858 -9.604 -1.847 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -9.802 -9.837 -3.579 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -9.642 -8.165 -2.992 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -8.274 -8.955 -3.812 1.00 0.00 H new ATOM 774 N VAL A 50 -5.600 -7.568 0.766 1.00 0.00 N ATOM 775 CA VAL A 50 -4.911 -6.468 1.430 1.00 0.00 C ATOM 776 C VAL A 50 -4.257 -5.536 0.416 1.00 0.00 C ATOM 777 O VAL A 50 -3.175 -5.821 -0.098 1.00 0.00 O ATOM 778 CB VAL A 50 -3.836 -6.985 2.403 1.00 0.00 C ATOM 779 CG1 VAL A 50 -3.078 -5.823 3.029 1.00 0.00 C ATOM 780 CG2 VAL A 50 -4.465 -7.861 3.476 1.00 0.00 C ATOM 0 H VAL A 50 -5.068 -8.007 0.015 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.665 -5.917 1.992 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.125 -7.591 1.842 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.322 -6.208 3.714 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.594 -5.240 2.245 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.774 -5.188 3.577 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.690 -8.218 4.155 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.199 -7.281 4.035 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.957 -8.713 3.008 1.00 0.00 H new ATOM 790 N TYR A 51 -4.921 -4.421 0.131 1.00 0.00 N ATOM 791 CA TYR A 51 -4.406 -3.448 -0.824 1.00 0.00 C ATOM 792 C TYR A 51 -3.388 -2.523 -0.164 1.00 0.00 C ATOM 793 O TYR A 51 -3.703 -1.816 0.794 1.00 0.00 O ATOM 794 CB TYR A 51 -5.552 -2.624 -1.414 1.00 0.00 C ATOM 795 CG TYR A 51 -6.279 -3.319 -2.543 1.00 0.00 C ATOM 796 CD1 TYR A 51 -5.582 -3.848 -3.623 1.00 0.00 C ATOM 797 CD2 TYR A 51 -7.662 -3.449 -2.529 1.00 0.00 C ATOM 798 CE1 TYR A 51 -6.242 -4.483 -4.657 1.00 0.00 C ATOM 799 CE2 TYR A 51 -8.330 -4.084 -3.558 1.00 0.00 C ATOM 800 CZ TYR A 51 -7.616 -4.599 -4.620 1.00 0.00 C ATOM 801 OH TYR A 51 -8.277 -5.232 -5.647 1.00 0.00 O ATOM 0 H TYR A 51 -5.817 -4.169 0.548 1.00 0.00 H new ATOM 0 HA TYR A 51 -3.909 -3.993 -1.626 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -6.265 -2.391 -0.623 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -5.157 -1.675 -1.777 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -4.506 -3.761 -3.654 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -8.225 -3.047 -1.699 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -5.685 -4.886 -5.490 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -9.406 -4.177 -3.531 1.00 0.00 H new ATOM 0 HH TYR A 51 -9.240 -5.229 -5.467 1.00 0.00 H new ATOM 811 N LEU A 52 -2.165 -2.533 -0.683 1.00 0.00 N ATOM 812 CA LEU A 52 -1.099 -1.695 -0.146 1.00 0.00 C ATOM 813 C LEU A 52 -0.618 -0.691 -1.188 1.00 0.00 C ATOM 814 O LEU A 52 0.121 -1.041 -2.108 1.00 0.00 O ATOM 815 CB LEU A 52 0.072 -2.562 0.322 1.00 0.00 C ATOM 816 CG LEU A 52 -0.298 -3.829 1.094 1.00 0.00 C ATOM 817 CD1 LEU A 52 0.852 -4.824 1.070 1.00 0.00 C ATOM 818 CD2 LEU A 52 -0.680 -3.488 2.527 1.00 0.00 C ATOM 0 H LEU A 52 -1.887 -3.112 -1.475 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.498 -1.144 0.705 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.656 -2.851 -0.552 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.720 -1.953 0.952 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.159 -4.288 0.609 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.570 -5.719 1.624 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.079 -5.093 0.038 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.732 -4.374 1.530 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.940 -4.402 3.061 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.162 -3.005 3.023 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.536 -2.813 2.525 1.00 0.00 H new ATOM 830 N VAL A 53 -1.041 0.560 -1.036 1.00 0.00 N ATOM 831 CA VAL A 53 -0.651 1.617 -1.962 1.00 0.00 C ATOM 832 C VAL A 53 0.750 2.132 -1.650 1.00 0.00 C ATOM 833 O VAL A 53 0.948 2.885 -0.697 1.00 0.00 O ATOM 834 CB VAL A 53 -1.641 2.796 -1.917 1.00 0.00 C ATOM 835 CG1 VAL A 53 -1.203 3.897 -2.871 1.00 0.00 C ATOM 836 CG2 VAL A 53 -3.048 2.322 -2.246 1.00 0.00 C ATOM 0 H VAL A 53 -1.654 0.866 -0.280 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.661 1.182 -2.961 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.647 3.205 -0.907 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.914 4.722 -2.826 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.214 4.255 -2.584 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.166 3.505 -3.887 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.735 3.168 -2.210 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.061 1.887 -3.245 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.358 1.571 -1.519 1.00 0.00 H new ATOM 846 N PHE A 54 1.720 1.720 -2.460 1.00 0.00 N ATOM 847 CA PHE A 54 3.104 2.139 -2.271 1.00 0.00 C ATOM 848 C PHE A 54 3.354 3.498 -2.918 1.00 0.00 C ATOM 849 O PHE A 54 2.895 3.762 -4.029 1.00 0.00 O ATOM 850 CB PHE A 54 4.059 1.098 -2.857 1.00 0.00 C ATOM 851 CG PHE A 54 3.934 -0.257 -2.221 1.00 0.00 C ATOM 852 CD1 PHE A 54 2.976 -1.157 -2.659 1.00 0.00 C ATOM 853 CD2 PHE A 54 4.773 -0.630 -1.184 1.00 0.00 C ATOM 854 CE1 PHE A 54 2.858 -2.404 -2.076 1.00 0.00 C ATOM 855 CE2 PHE A 54 4.660 -1.876 -0.597 1.00 0.00 C ATOM 856 CZ PHE A 54 3.701 -2.764 -1.043 1.00 0.00 C ATOM 0 H PHE A 54 1.573 1.096 -3.254 1.00 0.00 H new ATOM 0 HA PHE A 54 3.288 2.227 -1.200 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.872 1.007 -3.927 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.084 1.451 -2.742 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.314 -0.880 -3.466 1.00 0.00 H new ATOM 0 HD2 PHE A 54 5.524 0.061 -0.830 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.107 -3.096 -2.428 1.00 0.00 H new ATOM 0 HE2 PHE A 54 5.321 -2.155 0.210 1.00 0.00 H new ATOM 0 HZ PHE A 54 3.610 -3.738 -0.585 1.00 0.00 H new ATOM 866 N SER A 55 4.085 4.356 -2.214 1.00 0.00 N ATOM 867 CA SER A 55 4.393 5.690 -2.718 1.00 0.00 C ATOM 868 C SER A 55 5.696 6.210 -2.117 1.00 0.00 C ATOM 869 O SER A 55 5.762 6.527 -0.929 1.00 0.00 O ATOM 870 CB SER A 55 3.250 6.655 -2.399 1.00 0.00 C ATOM 871 OG SER A 55 3.156 7.675 -3.379 1.00 0.00 O ATOM 0 H SER A 55 4.475 4.152 -1.294 1.00 0.00 H new ATOM 0 HA SER A 55 4.512 5.625 -3.799 1.00 0.00 H new ATOM 0 HB2 SER A 55 2.310 6.106 -2.349 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.410 7.102 -1.418 1.00 0.00 H new ATOM 0 HG SER A 55 2.417 8.278 -3.154 1.00 0.00 H new ATOM 877 N VAL A 56 6.731 6.294 -2.946 1.00 0.00 N ATOM 878 CA VAL A 56 8.032 6.776 -2.498 1.00 0.00 C ATOM 879 C VAL A 56 7.954 8.231 -2.048 1.00 0.00 C ATOM 880 O VAL A 56 7.940 9.146 -2.871 1.00 0.00 O ATOM 881 CB VAL A 56 9.090 6.652 -3.611 1.00 0.00 C ATOM 882 CG1 VAL A 56 10.431 7.189 -3.135 1.00 0.00 C ATOM 883 CG2 VAL A 56 9.216 5.205 -4.065 1.00 0.00 C ATOM 0 H VAL A 56 6.694 6.034 -3.932 1.00 0.00 H new ATOM 0 HA VAL A 56 8.327 6.152 -1.654 1.00 0.00 H new ATOM 0 HB VAL A 56 8.769 7.250 -4.464 1.00 0.00 H new ATOM 0 HG11 VAL A 56 11.166 7.093 -3.934 1.00 0.00 H new ATOM 0 HG12 VAL A 56 10.326 8.239 -2.862 1.00 0.00 H new ATOM 0 HG13 VAL A 56 10.763 6.620 -2.267 1.00 0.00 H new ATOM 0 HG21 VAL A 56 9.967 5.135 -4.852 1.00 0.00 H new ATOM 0 HG22 VAL A 56 9.515 4.584 -3.221 1.00 0.00 H new ATOM 0 HG23 VAL A 56 8.256 4.859 -4.448 1.00 0.00 H new ATOM 893 N GLN A 57 7.904 8.436 -0.735 1.00 0.00 N ATOM 894 CA GLN A 57 7.827 9.780 -0.175 1.00 0.00 C ATOM 895 C GLN A 57 7.050 10.711 -1.099 1.00 0.00 C ATOM 896 O GLN A 57 7.374 11.891 -1.224 1.00 0.00 O ATOM 897 CB GLN A 57 9.231 10.336 0.066 1.00 0.00 C ATOM 898 CG GLN A 57 10.034 10.533 -1.210 1.00 0.00 C ATOM 899 CD GLN A 57 11.248 11.418 -1.005 1.00 0.00 C ATOM 900 OE1 GLN A 57 12.181 11.056 -0.287 1.00 0.00 O ATOM 901 NE2 GLN A 57 11.243 12.587 -1.636 1.00 0.00 N ATOM 0 H GLN A 57 7.915 7.689 -0.040 1.00 0.00 H new ATOM 0 HA GLN A 57 7.300 9.720 0.777 1.00 0.00 H new ATOM 0 HB2 GLN A 57 9.151 11.291 0.586 1.00 0.00 H new ATOM 0 HB3 GLN A 57 9.773 9.658 0.726 1.00 0.00 H new ATOM 0 HG2 GLN A 57 10.356 9.562 -1.585 1.00 0.00 H new ATOM 0 HG3 GLN A 57 9.393 10.973 -1.974 1.00 0.00 H new ATOM 0 HE21 GLN A 57 10.449 12.847 -2.221 1.00 0.00 H new ATOM 0 HE22 GLN A 57 12.033 13.224 -1.535 1.00 0.00 H new ATOM 910 N GLY A 58 6.021 10.172 -1.747 1.00 0.00 N ATOM 911 CA GLY A 58 5.214 10.969 -2.653 1.00 0.00 C ATOM 912 C GLY A 58 5.693 10.878 -4.088 1.00 0.00 C ATOM 913 O GLY A 58 4.914 10.573 -4.991 1.00 0.00 O ATOM 0 H GLY A 58 5.732 9.198 -1.661 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.177 10.638 -2.598 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.234 12.010 -2.332 1.00 0.00 H new ATOM 917 N SER A 59 6.977 11.146 -4.300 1.00 0.00 N ATOM 918 CA SER A 59 7.557 11.098 -5.637 1.00 0.00 C ATOM 919 C SER A 59 6.622 11.739 -6.658 1.00 0.00 C ATOM 920 O SER A 59 6.582 11.335 -7.819 1.00 0.00 O ATOM 921 CB SER A 59 7.854 9.651 -6.037 1.00 0.00 C ATOM 922 OG SER A 59 6.659 8.896 -6.139 1.00 0.00 O ATOM 0 H SER A 59 7.636 11.399 -3.563 1.00 0.00 H new ATOM 0 HA SER A 59 8.490 11.661 -5.621 1.00 0.00 H new ATOM 0 HB2 SER A 59 8.381 9.635 -6.991 1.00 0.00 H new ATOM 0 HB3 SER A 59 8.515 9.195 -5.300 1.00 0.00 H new ATOM 0 HG SER A 59 5.887 9.488 -6.020 1.00 0.00 H new ATOM 928 N GLY A 60 5.869 12.741 -6.215 1.00 0.00 N ATOM 929 CA GLY A 60 4.944 13.422 -7.102 1.00 0.00 C ATOM 930 C GLY A 60 3.689 12.613 -7.362 1.00 0.00 C ATOM 931 O GLY A 60 2.578 13.073 -7.097 1.00 0.00 O ATOM 0 H GLY A 60 5.883 13.093 -5.258 1.00 0.00 H new ATOM 0 HA2 GLY A 60 4.670 14.383 -6.667 1.00 0.00 H new ATOM 0 HA3 GLY A 60 5.441 13.631 -8.049 1.00 0.00 H new ATOM 935 N HIS A 61 3.864 11.403 -7.884 1.00 0.00 N ATOM 936 CA HIS A 61 2.736 10.528 -8.181 1.00 0.00 C ATOM 937 C HIS A 61 2.764 9.285 -7.296 1.00 0.00 C ATOM 938 O HIS A 61 3.696 9.086 -6.517 1.00 0.00 O ATOM 939 CB HIS A 61 2.755 10.119 -9.655 1.00 0.00 C ATOM 940 CG HIS A 61 2.670 11.278 -10.599 1.00 0.00 C ATOM 941 ND1 HIS A 61 3.346 12.463 -10.398 1.00 0.00 N ATOM 942 CD2 HIS A 61 1.985 11.429 -11.757 1.00 0.00 C ATOM 943 CE1 HIS A 61 3.079 13.293 -11.391 1.00 0.00 C ATOM 944 NE2 HIS A 61 2.255 12.690 -12.229 1.00 0.00 N ATOM 0 H HIS A 61 4.776 11.006 -8.110 1.00 0.00 H new ATOM 0 HA HIS A 61 1.818 11.078 -7.976 1.00 0.00 H new ATOM 0 HB2 HIS A 61 3.670 9.563 -9.857 1.00 0.00 H new ATOM 0 HB3 HIS A 61 1.922 9.443 -9.847 1.00 0.00 H new ATOM 0 HD2 HIS A 61 1.345 10.694 -12.223 1.00 0.00 H new ATOM 0 HE1 HIS A 61 3.468 14.295 -11.499 1.00 0.00 H new ATOM 0 HE2 HIS A 61 1.880 13.095 -13.087 1.00 0.00 H new ATOM 952 N PHE A 62 1.735 8.453 -7.420 1.00 0.00 N ATOM 953 CA PHE A 62 1.641 7.231 -6.630 1.00 0.00 C ATOM 954 C PHE A 62 2.354 6.076 -7.328 1.00 0.00 C ATOM 955 O PHE A 62 1.837 5.504 -8.288 1.00 0.00 O ATOM 956 CB PHE A 62 0.175 6.867 -6.387 1.00 0.00 C ATOM 957 CG PHE A 62 -0.411 7.525 -5.170 1.00 0.00 C ATOM 958 CD1 PHE A 62 -0.317 6.921 -3.927 1.00 0.00 C ATOM 959 CD2 PHE A 62 -1.057 8.747 -5.270 1.00 0.00 C ATOM 960 CE1 PHE A 62 -0.856 7.524 -2.805 1.00 0.00 C ATOM 961 CE2 PHE A 62 -1.596 9.355 -4.153 1.00 0.00 C ATOM 962 CZ PHE A 62 -1.497 8.742 -2.919 1.00 0.00 C ATOM 0 H PHE A 62 0.955 8.603 -8.060 1.00 0.00 H new ATOM 0 HA PHE A 62 2.128 7.410 -5.671 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -0.411 7.150 -7.261 1.00 0.00 H new ATOM 0 HB3 PHE A 62 0.090 5.785 -6.282 1.00 0.00 H new ATOM 0 HD1 PHE A 62 0.183 5.968 -3.833 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -1.140 9.230 -6.233 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.776 7.043 -1.841 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -2.094 10.309 -4.244 1.00 0.00 H new ATOM 0 HZ PHE A 62 -1.920 9.214 -2.045 1.00 0.00 H new ATOM 972 N GLN A 63 3.543 5.740 -6.839 1.00 0.00 N ATOM 973 CA GLN A 63 4.327 4.654 -7.416 1.00 0.00 C ATOM 974 C GLN A 63 3.430 3.486 -7.812 1.00 0.00 C ATOM 975 O GLN A 63 3.762 2.712 -8.710 1.00 0.00 O ATOM 976 CB GLN A 63 5.391 4.182 -6.424 1.00 0.00 C ATOM 977 CG GLN A 63 6.688 4.972 -6.501 1.00 0.00 C ATOM 978 CD GLN A 63 7.393 4.807 -7.833 1.00 0.00 C ATOM 979 OE1 GLN A 63 7.670 3.689 -8.268 1.00 0.00 O ATOM 980 NE2 GLN A 63 7.687 5.923 -8.489 1.00 0.00 N ATOM 0 H GLN A 63 3.985 6.204 -6.045 1.00 0.00 H new ATOM 0 HA GLN A 63 4.819 5.031 -8.313 1.00 0.00 H new ATOM 0 HB2 GLN A 63 4.991 4.254 -5.413 1.00 0.00 H new ATOM 0 HB3 GLN A 63 5.605 3.129 -6.607 1.00 0.00 H new ATOM 0 HG2 GLN A 63 6.476 6.028 -6.335 1.00 0.00 H new ATOM 0 HG3 GLN A 63 7.353 4.650 -5.700 1.00 0.00 H new ATOM 0 HE21 GLN A 63 7.439 6.829 -8.091 1.00 0.00 H new ATOM 0 HE22 GLN A 63 8.161 5.875 -9.391 1.00 0.00 H new ATOM 989 N GLY A 64 2.292 3.364 -7.136 1.00 0.00 N ATOM 990 CA GLY A 64 1.365 2.287 -7.432 1.00 0.00 C ATOM 991 C GLY A 64 0.950 1.522 -6.191 1.00 0.00 C ATOM 992 O GLY A 64 1.389 1.835 -5.084 1.00 0.00 O ATOM 0 H GLY A 64 1.995 3.992 -6.389 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.478 2.697 -7.916 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.826 1.600 -8.142 1.00 0.00 H new ATOM 996 N PHE A 65 0.101 0.517 -6.374 1.00 0.00 N ATOM 997 CA PHE A 65 -0.376 -0.294 -5.259 1.00 0.00 C ATOM 998 C PHE A 65 -0.229 -1.781 -5.567 1.00 0.00 C ATOM 999 O PHE A 65 -0.064 -2.174 -6.722 1.00 0.00 O ATOM 1000 CB PHE A 65 -1.839 0.033 -4.952 1.00 0.00 C ATOM 1001 CG PHE A 65 -2.799 -0.494 -5.979 1.00 0.00 C ATOM 1002 CD1 PHE A 65 -3.093 0.243 -7.115 1.00 0.00 C ATOM 1003 CD2 PHE A 65 -3.408 -1.727 -5.810 1.00 0.00 C ATOM 1004 CE1 PHE A 65 -3.977 -0.239 -8.061 1.00 0.00 C ATOM 1005 CE2 PHE A 65 -4.293 -2.215 -6.753 1.00 0.00 C ATOM 1006 CZ PHE A 65 -4.577 -1.470 -7.881 1.00 0.00 C ATOM 0 H PHE A 65 -0.271 0.244 -7.284 1.00 0.00 H new ATOM 0 HA PHE A 65 0.232 -0.060 -4.385 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.099 -0.381 -3.978 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -1.954 1.115 -4.880 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -2.626 1.205 -7.263 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -3.188 -2.314 -4.931 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.199 0.347 -8.941 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -4.762 -3.177 -6.608 1.00 0.00 H new ATOM 0 HZ PHE A 65 -5.267 -1.849 -8.621 1.00 0.00 H new ATOM 1016 N SER A 66 -0.291 -2.604 -4.525 1.00 0.00 N ATOM 1017 CA SER A 66 -0.161 -4.048 -4.682 1.00 0.00 C ATOM 1018 C SER A 66 -0.936 -4.785 -3.593 1.00 0.00 C ATOM 1019 O SER A 66 -0.815 -4.471 -2.409 1.00 0.00 O ATOM 1020 CB SER A 66 1.313 -4.456 -4.639 1.00 0.00 C ATOM 1021 OG SER A 66 2.139 -3.443 -5.188 1.00 0.00 O ATOM 0 H SER A 66 -0.430 -2.295 -3.563 1.00 0.00 H new ATOM 0 HA SER A 66 -0.579 -4.322 -5.651 1.00 0.00 H new ATOM 0 HB2 SER A 66 1.609 -4.652 -3.609 1.00 0.00 H new ATOM 0 HB3 SER A 66 1.453 -5.384 -5.193 1.00 0.00 H new ATOM 0 HG SER A 66 2.672 -3.817 -5.920 1.00 0.00 H new ATOM 1027 N ARG A 67 -1.732 -5.766 -4.004 1.00 0.00 N ATOM 1028 CA ARG A 67 -2.529 -6.547 -3.066 1.00 0.00 C ATOM 1029 C ARG A 67 -1.707 -7.689 -2.474 1.00 0.00 C ATOM 1030 O ARG A 67 -1.296 -8.604 -3.186 1.00 0.00 O ATOM 1031 CB ARG A 67 -3.772 -7.106 -3.761 1.00 0.00 C ATOM 1032 CG ARG A 67 -3.455 -7.983 -4.962 1.00 0.00 C ATOM 1033 CD ARG A 67 -4.720 -8.391 -5.701 1.00 0.00 C ATOM 1034 NE ARG A 67 -4.424 -9.161 -6.907 1.00 0.00 N ATOM 1035 CZ ARG A 67 -5.265 -9.279 -7.928 1.00 0.00 C ATOM 1036 NH1 ARG A 67 -6.448 -8.680 -7.890 1.00 0.00 N ATOM 1037 NH2 ARG A 67 -4.924 -9.996 -8.991 1.00 0.00 N ATOM 0 H ARG A 67 -1.842 -6.039 -4.981 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.840 -5.888 -2.256 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -4.351 -7.685 -3.041 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.402 -6.277 -4.083 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -2.792 -7.447 -5.641 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -2.921 -8.874 -4.633 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -5.352 -8.983 -5.039 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -5.287 -7.499 -5.970 1.00 0.00 H new ATOM 0 HE ARG A 67 -3.522 -9.634 -6.968 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -6.714 -8.127 -7.075 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -7.092 -8.772 -8.676 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -4.015 -10.457 -9.025 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -5.571 -10.086 -9.774 1.00 0.00 H new ATOM 1051 N MET A 68 -1.471 -7.626 -1.168 1.00 0.00 N ATOM 1052 CA MET A 68 -0.699 -8.655 -0.481 1.00 0.00 C ATOM 1053 C MET A 68 -1.053 -10.042 -1.007 1.00 0.00 C ATOM 1054 O MET A 68 -2.213 -10.452 -0.971 1.00 0.00 O ATOM 1055 CB MET A 68 -0.949 -8.589 1.027 1.00 0.00 C ATOM 1056 CG MET A 68 0.234 -9.053 1.861 1.00 0.00 C ATOM 1057 SD MET A 68 0.240 -8.340 3.517 1.00 0.00 S ATOM 1058 CE MET A 68 0.467 -9.808 4.517 1.00 0.00 C ATOM 0 H MET A 68 -1.803 -6.874 -0.564 1.00 0.00 H new ATOM 0 HA MET A 68 0.358 -8.471 -0.675 1.00 0.00 H new ATOM 0 HB2 MET A 68 -1.196 -7.563 1.301 1.00 0.00 H new ATOM 0 HB3 MET A 68 -1.817 -9.202 1.270 1.00 0.00 H new ATOM 0 HG2 MET A 68 0.215 -10.140 1.938 1.00 0.00 H new ATOM 0 HG3 MET A 68 1.160 -8.786 1.351 1.00 0.00 H new ATOM 0 HE1 MET A 68 0.924 -9.534 5.468 1.00 0.00 H new ATOM 0 HE2 MET A 68 -0.500 -10.276 4.701 1.00 0.00 H new ATOM 0 HE3 MET A 68 1.115 -10.509 3.992 1.00 0.00 H new ATOM 1068 N SER A 69 -0.046 -10.760 -1.494 1.00 0.00 N ATOM 1069 CA SER A 69 -0.252 -12.100 -2.031 1.00 0.00 C ATOM 1070 C SER A 69 0.044 -13.160 -0.975 1.00 0.00 C ATOM 1071 O SER A 69 -0.660 -14.165 -0.874 1.00 0.00 O ATOM 1072 CB SER A 69 0.637 -12.323 -3.257 1.00 0.00 C ATOM 1073 OG SER A 69 0.540 -13.659 -3.720 1.00 0.00 O ATOM 0 H SER A 69 0.921 -10.436 -1.528 1.00 0.00 H new ATOM 0 HA SER A 69 -1.297 -12.189 -2.327 1.00 0.00 H new ATOM 0 HB2 SER A 69 0.345 -11.637 -4.052 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.673 -12.096 -3.005 1.00 0.00 H new ATOM 0 HG SER A 69 1.116 -13.776 -4.504 1.00 0.00 H new ATOM 1079 N SER A 70 1.090 -12.927 -0.188 1.00 0.00 N ATOM 1080 CA SER A 70 1.482 -13.863 0.859 1.00 0.00 C ATOM 1081 C SER A 70 1.540 -13.168 2.215 1.00 0.00 C ATOM 1082 O SER A 70 1.655 -11.945 2.293 1.00 0.00 O ATOM 1083 CB SER A 70 2.841 -14.485 0.534 1.00 0.00 C ATOM 1084 OG SER A 70 3.067 -15.651 1.307 1.00 0.00 O ATOM 0 H SER A 70 1.681 -12.098 -0.256 1.00 0.00 H new ATOM 0 HA SER A 70 0.731 -14.652 0.906 1.00 0.00 H new ATOM 0 HB2 SER A 70 2.886 -14.734 -0.526 1.00 0.00 H new ATOM 0 HB3 SER A 70 3.632 -13.759 0.725 1.00 0.00 H new ATOM 0 HG SER A 70 3.941 -16.030 1.079 1.00 0.00 H new ATOM 1090 N GLU A 71 1.458 -13.957 3.282 1.00 0.00 N ATOM 1091 CA GLU A 71 1.500 -13.417 4.636 1.00 0.00 C ATOM 1092 C GLU A 71 2.941 -13.234 5.104 1.00 0.00 C ATOM 1093 O GLU A 71 3.875 -13.755 4.493 1.00 0.00 O ATOM 1094 CB GLU A 71 0.752 -14.339 5.600 1.00 0.00 C ATOM 1095 CG GLU A 71 1.344 -15.736 5.689 1.00 0.00 C ATOM 1096 CD GLU A 71 0.326 -16.774 6.119 1.00 0.00 C ATOM 1097 OE1 GLU A 71 -0.460 -17.225 5.259 1.00 0.00 O ATOM 1098 OE2 GLU A 71 0.315 -17.136 7.314 1.00 0.00 O ATOM 0 H GLU A 71 1.362 -14.971 3.235 1.00 0.00 H new ATOM 0 HA GLU A 71 1.013 -12.442 4.626 1.00 0.00 H new ATOM 0 HB2 GLU A 71 0.752 -13.890 6.593 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -0.289 -14.414 5.284 1.00 0.00 H new ATOM 0 HG2 GLU A 71 1.754 -16.015 4.719 1.00 0.00 H new ATOM 0 HG3 GLU A 71 2.173 -15.731 6.396 1.00 0.00 H new ATOM 1105 N ILE A 72 3.114 -12.491 6.192 1.00 0.00 N ATOM 1106 CA ILE A 72 4.440 -12.240 6.743 1.00 0.00 C ATOM 1107 C ILE A 72 4.848 -13.340 7.716 1.00 0.00 C ATOM 1108 O ILE A 72 4.022 -13.860 8.464 1.00 0.00 O ATOM 1109 CB ILE A 72 4.501 -10.881 7.466 1.00 0.00 C ATOM 1110 CG1 ILE A 72 3.860 -9.791 6.605 1.00 0.00 C ATOM 1111 CG2 ILE A 72 5.942 -10.523 7.798 1.00 0.00 C ATOM 1112 CD1 ILE A 72 3.468 -8.556 7.387 1.00 0.00 C ATOM 0 H ILE A 72 2.352 -12.052 6.709 1.00 0.00 H new ATOM 0 HA ILE A 72 5.134 -12.226 5.902 1.00 0.00 H new ATOM 0 HB ILE A 72 3.941 -10.956 8.398 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.556 -9.506 5.816 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.975 -10.198 6.117 1.00 0.00 H new ATOM 0 HG21 ILE A 72 5.969 -9.560 8.309 1.00 0.00 H new ATOM 0 HG22 ILE A 72 6.367 -11.290 8.446 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.523 -10.462 6.878 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.020 -7.826 6.713 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.748 -8.827 8.159 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.354 -8.124 7.853 1.00 0.00 H new ATOM 1124 N GLY A 73 6.131 -13.689 7.702 1.00 0.00 N ATOM 1125 CA GLY A 73 6.628 -14.725 8.589 1.00 0.00 C ATOM 1126 C GLY A 73 7.844 -15.435 8.027 1.00 0.00 C ATOM 1127 O GLY A 73 8.794 -14.794 7.579 1.00 0.00 O ATOM 0 H GLY A 73 6.835 -13.273 7.092 1.00 0.00 H new ATOM 0 HA2 GLY A 73 6.882 -14.283 9.552 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.838 -15.453 8.771 1.00 0.00 H new ATOM 1131 N ARG A 74 7.814 -16.764 8.051 1.00 0.00 N ATOM 1132 CA ARG A 74 8.924 -17.562 7.543 1.00 0.00 C ATOM 1133 C ARG A 74 9.537 -16.914 6.305 1.00 0.00 C ATOM 1134 O ARG A 74 10.737 -17.034 6.061 1.00 0.00 O ATOM 1135 CB ARG A 74 8.450 -18.978 7.210 1.00 0.00 C ATOM 1136 CG ARG A 74 7.521 -19.042 6.009 1.00 0.00 C ATOM 1137 CD ARG A 74 6.085 -18.727 6.398 1.00 0.00 C ATOM 1138 NE ARG A 74 5.533 -19.725 7.310 1.00 0.00 N ATOM 1139 CZ ARG A 74 5.159 -20.941 6.929 1.00 0.00 C ATOM 1140 NH1 ARG A 74 5.278 -21.308 5.660 1.00 0.00 N ATOM 1141 NH2 ARG A 74 4.665 -21.794 7.817 1.00 0.00 N ATOM 0 H ARG A 74 7.034 -17.310 8.416 1.00 0.00 H new ATOM 0 HA ARG A 74 9.687 -17.615 8.319 1.00 0.00 H new ATOM 0 HB2 ARG A 74 9.319 -19.608 7.020 1.00 0.00 H new ATOM 0 HB3 ARG A 74 7.938 -19.394 8.078 1.00 0.00 H new ATOM 0 HG2 ARG A 74 7.857 -18.336 5.250 1.00 0.00 H new ATOM 0 HG3 ARG A 74 7.569 -20.036 5.563 1.00 0.00 H new ATOM 0 HD2 ARG A 74 6.044 -17.744 6.868 1.00 0.00 H new ATOM 0 HD3 ARG A 74 5.469 -18.677 5.500 1.00 0.00 H new ATOM 0 HE ARG A 74 5.429 -19.474 8.293 1.00 0.00 H new ATOM 0 HH11 ARG A 74 5.658 -20.656 4.974 1.00 0.00 H new ATOM 0 HH12 ARG A 74 4.990 -22.243 5.370 1.00 0.00 H new ATOM 0 HH21 ARG A 74 4.572 -21.516 8.794 1.00 0.00 H new ATOM 0 HH22 ARG A 74 4.378 -22.728 7.523 1.00 0.00 H new ATOM 1155 N GLU A 75 8.704 -16.229 5.528 1.00 0.00 N ATOM 1156 CA GLU A 75 9.165 -15.565 4.314 1.00 0.00 C ATOM 1157 C GLU A 75 10.210 -14.502 4.640 1.00 0.00 C ATOM 1158 O GLU A 75 9.945 -13.563 5.391 1.00 0.00 O ATOM 1159 CB GLU A 75 7.986 -14.927 3.577 1.00 0.00 C ATOM 1160 CG GLU A 75 8.161 -14.888 2.068 1.00 0.00 C ATOM 1161 CD GLU A 75 8.494 -16.247 1.484 1.00 0.00 C ATOM 1162 OE1 GLU A 75 7.931 -17.253 1.965 1.00 0.00 O ATOM 1163 OE2 GLU A 75 9.318 -16.305 0.548 1.00 0.00 O ATOM 0 H GLU A 75 7.708 -16.119 5.717 1.00 0.00 H new ATOM 0 HA GLU A 75 9.623 -16.316 3.670 1.00 0.00 H new ATOM 0 HB2 GLU A 75 7.077 -15.480 3.815 1.00 0.00 H new ATOM 0 HB3 GLU A 75 7.846 -13.910 3.945 1.00 0.00 H new ATOM 0 HG2 GLU A 75 7.246 -14.514 1.609 1.00 0.00 H new ATOM 0 HG3 GLU A 75 8.954 -14.184 1.816 1.00 0.00 H new ATOM 1170 N LYS A 76 11.400 -14.657 4.070 1.00 0.00 N ATOM 1171 CA LYS A 76 12.487 -13.712 4.297 1.00 0.00 C ATOM 1172 C LYS A 76 13.298 -13.499 3.023 1.00 0.00 C ATOM 1173 O LYS A 76 13.076 -14.170 2.015 1.00 0.00 O ATOM 1174 CB LYS A 76 13.401 -14.214 5.417 1.00 0.00 C ATOM 1175 CG LYS A 76 12.948 -13.795 6.805 1.00 0.00 C ATOM 1176 CD LYS A 76 13.461 -12.410 7.165 1.00 0.00 C ATOM 1177 CE LYS A 76 13.388 -12.160 8.663 1.00 0.00 C ATOM 1178 NZ LYS A 76 14.423 -12.933 9.405 1.00 0.00 N ATOM 0 H LYS A 76 11.636 -15.429 3.447 1.00 0.00 H new ATOM 0 HA LYS A 76 12.050 -12.758 4.592 1.00 0.00 H new ATOM 0 HB2 LYS A 76 13.451 -15.302 5.373 1.00 0.00 H new ATOM 0 HB3 LYS A 76 14.411 -13.841 5.245 1.00 0.00 H new ATOM 0 HG2 LYS A 76 11.859 -13.804 6.851 1.00 0.00 H new ATOM 0 HG3 LYS A 76 13.304 -14.518 7.539 1.00 0.00 H new ATOM 0 HD2 LYS A 76 14.492 -12.304 6.827 1.00 0.00 H new ATOM 0 HD3 LYS A 76 12.874 -11.656 6.640 1.00 0.00 H new ATOM 0 HE2 LYS A 76 13.518 -11.096 8.860 1.00 0.00 H new ATOM 0 HE3 LYS A 76 12.398 -12.433 9.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 14.514 -12.555 10.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 14.143 -13.934 9.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 15.336 -12.851 8.914 1.00 0.00 H new ATOM 1192 N SER A 77 14.239 -12.562 3.076 1.00 0.00 N ATOM 1193 CA SER A 77 15.082 -12.259 1.925 1.00 0.00 C ATOM 1194 C SER A 77 16.414 -11.663 2.368 1.00 0.00 C ATOM 1195 O SER A 77 16.690 -11.556 3.563 1.00 0.00 O ATOM 1196 CB SER A 77 14.365 -11.290 0.982 1.00 0.00 C ATOM 1197 OG SER A 77 14.815 -11.450 -0.352 1.00 0.00 O ATOM 0 H SER A 77 14.437 -11.999 3.903 1.00 0.00 H new ATOM 0 HA SER A 77 15.280 -13.191 1.396 1.00 0.00 H new ATOM 0 HB2 SER A 77 13.289 -11.461 1.029 1.00 0.00 H new ATOM 0 HB3 SER A 77 14.540 -10.265 1.308 1.00 0.00 H new ATOM 0 HG SER A 77 14.341 -10.821 -0.935 1.00 0.00 H new ATOM 1203 N GLN A 78 17.235 -11.277 1.397 1.00 0.00 N ATOM 1204 CA GLN A 78 18.539 -10.692 1.687 1.00 0.00 C ATOM 1205 C GLN A 78 18.631 -9.270 1.143 1.00 0.00 C ATOM 1206 O GLN A 78 18.849 -8.320 1.894 1.00 0.00 O ATOM 1207 CB GLN A 78 19.652 -11.553 1.089 1.00 0.00 C ATOM 1208 CG GLN A 78 20.956 -11.489 1.868 1.00 0.00 C ATOM 1209 CD GLN A 78 20.859 -12.159 3.225 1.00 0.00 C ATOM 1210 OE1 GLN A 78 20.732 -13.380 3.319 1.00 0.00 O ATOM 1211 NE2 GLN A 78 20.920 -11.361 4.284 1.00 0.00 N ATOM 0 H GLN A 78 17.021 -11.359 0.403 1.00 0.00 H new ATOM 0 HA GLN A 78 18.660 -10.655 2.770 1.00 0.00 H new ATOM 0 HB2 GLN A 78 19.315 -12.589 1.045 1.00 0.00 H new ATOM 0 HB3 GLN A 78 19.835 -11.234 0.063 1.00 0.00 H new ATOM 0 HG2 GLN A 78 21.745 -11.966 1.287 1.00 0.00 H new ATOM 0 HG3 GLN A 78 21.244 -10.446 2.002 1.00 0.00 H new ATOM 0 HE21 GLN A 78 21.026 -10.354 4.159 1.00 0.00 H new ATOM 0 HE22 GLN A 78 20.861 -11.755 5.223 1.00 0.00 H new ATOM 1220 N ASP A 79 18.464 -9.132 -0.168 1.00 0.00 N ATOM 1221 CA ASP A 79 18.528 -7.826 -0.814 1.00 0.00 C ATOM 1222 C ASP A 79 17.593 -6.835 -0.129 1.00 0.00 C ATOM 1223 O ASP A 79 16.372 -6.921 -0.268 1.00 0.00 O ATOM 1224 CB ASP A 79 18.167 -7.948 -2.295 1.00 0.00 C ATOM 1225 CG ASP A 79 19.361 -8.316 -3.154 1.00 0.00 C ATOM 1226 OD1 ASP A 79 19.748 -9.504 -3.154 1.00 0.00 O ATOM 1227 OD2 ASP A 79 19.907 -7.418 -3.826 1.00 0.00 O ATOM 0 H ASP A 79 18.283 -9.909 -0.804 1.00 0.00 H new ATOM 0 HA ASP A 79 19.549 -7.454 -0.727 1.00 0.00 H new ATOM 0 HB2 ASP A 79 17.390 -8.703 -2.415 1.00 0.00 H new ATOM 0 HB3 ASP A 79 17.750 -7.003 -2.643 1.00 0.00 H new ATOM 1232 N TRP A 80 18.172 -5.897 0.611 1.00 0.00 N ATOM 1233 CA TRP A 80 17.390 -4.890 1.319 1.00 0.00 C ATOM 1234 C TRP A 80 18.269 -3.722 1.751 1.00 0.00 C ATOM 1235 O TRP A 80 19.491 -3.846 1.823 1.00 0.00 O ATOM 1236 CB TRP A 80 16.707 -5.510 2.539 1.00 0.00 C ATOM 1237 CG TRP A 80 15.440 -6.238 2.206 1.00 0.00 C ATOM 1238 CD1 TRP A 80 15.100 -7.505 2.583 1.00 0.00 C ATOM 1239 CD2 TRP A 80 14.347 -5.742 1.426 1.00 0.00 C ATOM 1240 NE1 TRP A 80 13.860 -7.827 2.085 1.00 0.00 N ATOM 1241 CE2 TRP A 80 13.377 -6.762 1.372 1.00 0.00 C ATOM 1242 CE3 TRP A 80 14.092 -4.535 0.770 1.00 0.00 C ATOM 1243 CZ2 TRP A 80 12.174 -6.610 0.687 1.00 0.00 C ATOM 1244 CZ3 TRP A 80 12.898 -4.385 0.091 1.00 0.00 C ATOM 1245 CH2 TRP A 80 11.951 -5.418 0.054 1.00 0.00 C ATOM 0 H TRP A 80 19.181 -5.812 0.737 1.00 0.00 H new ATOM 0 HA TRP A 80 16.628 -4.513 0.637 1.00 0.00 H new ATOM 0 HB2 TRP A 80 17.398 -6.201 3.021 1.00 0.00 H new ATOM 0 HB3 TRP A 80 16.487 -4.724 3.261 1.00 0.00 H new ATOM 0 HD1 TRP A 80 15.715 -8.158 3.184 1.00 0.00 H new ATOM 0 HE1 TRP A 80 13.378 -8.715 2.224 1.00 0.00 H new ATOM 0 HE3 TRP A 80 14.815 -3.733 0.793 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 11.443 -7.405 0.657 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 12.691 -3.456 -0.420 1.00 0.00 H new ATOM 0 HH2 TRP A 80 11.027 -5.270 -0.485 1.00 0.00 H new ATOM 1256 N GLY A 81 17.639 -2.587 2.038 1.00 0.00 N ATOM 1257 CA GLY A 81 18.381 -1.413 2.459 1.00 0.00 C ATOM 1258 C GLY A 81 18.797 -1.482 3.915 1.00 0.00 C ATOM 1259 O GLY A 81 19.932 -1.152 4.260 1.00 0.00 O ATOM 0 H GLY A 81 16.628 -2.460 1.986 1.00 0.00 H new ATOM 0 HA2 GLY A 81 19.268 -1.305 1.835 1.00 0.00 H new ATOM 0 HA3 GLY A 81 17.770 -0.524 2.301 1.00 0.00 H new ATOM 1263 N SER A 82 17.877 -1.911 4.773 1.00 0.00 N ATOM 1264 CA SER A 82 18.153 -2.018 6.201 1.00 0.00 C ATOM 1265 C SER A 82 17.813 -3.412 6.717 1.00 0.00 C ATOM 1266 O SER A 82 16.694 -3.895 6.545 1.00 0.00 O ATOM 1267 CB SER A 82 17.355 -0.966 6.975 1.00 0.00 C ATOM 1268 OG SER A 82 18.067 0.257 7.055 1.00 0.00 O ATOM 0 H SER A 82 16.934 -2.190 4.504 1.00 0.00 H new ATOM 0 HA SER A 82 19.218 -1.843 6.355 1.00 0.00 H new ATOM 0 HB2 SER A 82 16.395 -0.800 6.486 1.00 0.00 H new ATOM 0 HB3 SER A 82 17.142 -1.333 7.979 1.00 0.00 H new ATOM 0 HG SER A 82 17.535 0.913 7.553 1.00 0.00 H new ATOM 1274 N ALA A 83 18.788 -4.055 7.352 1.00 0.00 N ATOM 1275 CA ALA A 83 18.593 -5.393 7.896 1.00 0.00 C ATOM 1276 C ALA A 83 17.568 -5.383 9.025 1.00 0.00 C ATOM 1277 O ALA A 83 16.834 -6.351 9.219 1.00 0.00 O ATOM 1278 CB ALA A 83 19.917 -5.961 8.386 1.00 0.00 C ATOM 0 H ALA A 83 19.721 -3.670 7.502 1.00 0.00 H new ATOM 0 HA ALA A 83 18.210 -6.030 7.099 1.00 0.00 H new ATOM 0 HB1 ALA A 83 19.757 -6.961 8.790 1.00 0.00 H new ATOM 0 HB2 ALA A 83 20.620 -6.014 7.555 1.00 0.00 H new ATOM 0 HB3 ALA A 83 20.324 -5.316 9.165 1.00 0.00 H new ATOM 1284 N GLY A 84 17.525 -4.282 9.768 1.00 0.00 N ATOM 1285 CA GLY A 84 16.587 -4.167 10.870 1.00 0.00 C ATOM 1286 C GLY A 84 15.243 -4.793 10.554 1.00 0.00 C ATOM 1287 O GLY A 84 14.582 -5.342 11.438 1.00 0.00 O ATOM 0 H GLY A 84 18.123 -3.467 9.627 1.00 0.00 H new ATOM 0 HA2 GLY A 84 17.009 -4.646 11.754 1.00 0.00 H new ATOM 0 HA3 GLY A 84 16.446 -3.114 11.115 1.00 0.00 H new ATOM 1291 N LEU A 85 14.835 -4.711 9.293 1.00 0.00 N ATOM 1292 CA LEU A 85 13.559 -5.273 8.863 1.00 0.00 C ATOM 1293 C LEU A 85 13.316 -6.631 9.513 1.00 0.00 C ATOM 1294 O LEU A 85 14.258 -7.345 9.853 1.00 0.00 O ATOM 1295 CB LEU A 85 13.528 -5.411 7.340 1.00 0.00 C ATOM 1296 CG LEU A 85 13.764 -4.126 6.544 1.00 0.00 C ATOM 1297 CD1 LEU A 85 14.193 -4.450 5.122 1.00 0.00 C ATOM 1298 CD2 LEU A 85 12.512 -3.262 6.542 1.00 0.00 C ATOM 0 H LEU A 85 15.369 -4.261 8.550 1.00 0.00 H new ATOM 0 HA LEU A 85 12.766 -4.594 9.176 1.00 0.00 H new ATOM 0 HB2 LEU A 85 14.283 -6.140 7.046 1.00 0.00 H new ATOM 0 HB3 LEU A 85 12.560 -5.820 7.052 1.00 0.00 H new ATOM 0 HG LEU A 85 14.566 -3.566 7.025 1.00 0.00 H new ATOM 0 HD11 LEU A 85 14.356 -3.524 4.571 1.00 0.00 H new ATOM 0 HD12 LEU A 85 15.117 -5.027 5.143 1.00 0.00 H new ATOM 0 HD13 LEU A 85 13.413 -5.032 4.630 1.00 0.00 H new ATOM 0 HD21 LEU A 85 12.699 -2.352 5.971 1.00 0.00 H new ATOM 0 HD22 LEU A 85 11.690 -3.814 6.087 1.00 0.00 H new ATOM 0 HD23 LEU A 85 12.249 -3.000 7.567 1.00 0.00 H new ATOM 1310 N GLY A 86 12.044 -6.982 9.680 1.00 0.00 N ATOM 1311 CA GLY A 86 11.700 -8.255 10.287 1.00 0.00 C ATOM 1312 C GLY A 86 10.347 -8.766 9.832 1.00 0.00 C ATOM 1313 O GLY A 86 9.310 -8.246 10.240 1.00 0.00 O ATOM 0 H GLY A 86 11.247 -6.408 9.406 1.00 0.00 H new ATOM 0 HA2 GLY A 86 12.465 -8.991 10.040 1.00 0.00 H new ATOM 0 HA3 GLY A 86 11.699 -8.149 11.372 1.00 0.00 H new ATOM 1317 N GLY A 87 10.358 -9.789 8.983 1.00 0.00 N ATOM 1318 CA GLY A 87 9.117 -10.353 8.485 1.00 0.00 C ATOM 1319 C GLY A 87 8.790 -9.885 7.080 1.00 0.00 C ATOM 1320 O GLY A 87 8.119 -8.870 6.896 1.00 0.00 O ATOM 0 H GLY A 87 11.204 -10.237 8.631 1.00 0.00 H new ATOM 0 HA2 GLY A 87 9.186 -11.441 8.496 1.00 0.00 H new ATOM 0 HA3 GLY A 87 8.302 -10.079 9.155 1.00 0.00 H new ATOM 1324 N VAL A 88 9.267 -10.627 6.085 1.00 0.00 N ATOM 1325 CA VAL A 88 9.022 -10.283 4.690 1.00 0.00 C ATOM 1326 C VAL A 88 7.758 -10.958 4.171 1.00 0.00 C ATOM 1327 O VAL A 88 7.291 -11.945 4.738 1.00 0.00 O ATOM 1328 CB VAL A 88 10.210 -10.685 3.796 1.00 0.00 C ATOM 1329 CG1 VAL A 88 9.916 -10.363 2.339 1.00 0.00 C ATOM 1330 CG2 VAL A 88 11.483 -9.992 4.257 1.00 0.00 C ATOM 0 H VAL A 88 9.825 -11.470 6.220 1.00 0.00 H new ATOM 0 HA VAL A 88 8.895 -9.201 4.648 1.00 0.00 H new ATOM 0 HB VAL A 88 10.358 -11.761 3.882 1.00 0.00 H new ATOM 0 HG11 VAL A 88 10.767 -10.654 1.723 1.00 0.00 H new ATOM 0 HG12 VAL A 88 9.031 -10.911 2.017 1.00 0.00 H new ATOM 0 HG13 VAL A 88 9.740 -9.293 2.231 1.00 0.00 H new ATOM 0 HG21 VAL A 88 12.312 -10.288 3.614 1.00 0.00 H new ATOM 0 HG22 VAL A 88 11.349 -8.912 4.203 1.00 0.00 H new ATOM 0 HG23 VAL A 88 11.702 -10.279 5.286 1.00 0.00 H new ATOM 1340 N PHE A 89 7.208 -10.418 3.088 1.00 0.00 N ATOM 1341 CA PHE A 89 5.996 -10.968 2.491 1.00 0.00 C ATOM 1342 C PHE A 89 5.901 -10.598 1.014 1.00 0.00 C ATOM 1343 O PHE A 89 6.441 -9.580 0.581 1.00 0.00 O ATOM 1344 CB PHE A 89 4.760 -10.461 3.236 1.00 0.00 C ATOM 1345 CG PHE A 89 4.561 -8.976 3.127 1.00 0.00 C ATOM 1346 CD1 PHE A 89 5.270 -8.107 3.940 1.00 0.00 C ATOM 1347 CD2 PHE A 89 3.666 -8.450 2.210 1.00 0.00 C ATOM 1348 CE1 PHE A 89 5.088 -6.741 3.842 1.00 0.00 C ATOM 1349 CE2 PHE A 89 3.481 -7.084 2.106 1.00 0.00 C ATOM 1350 CZ PHE A 89 4.194 -6.228 2.923 1.00 0.00 C ATOM 0 H PHE A 89 7.582 -9.601 2.606 1.00 0.00 H new ATOM 0 HA PHE A 89 6.041 -12.054 2.573 1.00 0.00 H new ATOM 0 HB2 PHE A 89 3.877 -10.967 2.846 1.00 0.00 H new ATOM 0 HB3 PHE A 89 4.844 -10.732 4.288 1.00 0.00 H new ATOM 0 HD1 PHE A 89 5.973 -8.502 4.659 1.00 0.00 H new ATOM 0 HD2 PHE A 89 3.106 -9.115 1.569 1.00 0.00 H new ATOM 0 HE1 PHE A 89 5.645 -6.074 4.484 1.00 0.00 H new ATOM 0 HE2 PHE A 89 2.780 -6.686 1.387 1.00 0.00 H new ATOM 0 HZ PHE A 89 4.053 -5.160 2.843 1.00 0.00 H new ATOM 1360 N LYS A 90 5.211 -11.433 0.244 1.00 0.00 N ATOM 1361 CA LYS A 90 5.043 -11.196 -1.184 1.00 0.00 C ATOM 1362 C LYS A 90 3.950 -10.163 -1.439 1.00 0.00 C ATOM 1363 O LYS A 90 3.123 -9.892 -0.569 1.00 0.00 O ATOM 1364 CB LYS A 90 4.701 -12.503 -1.903 1.00 0.00 C ATOM 1365 CG LYS A 90 5.919 -13.257 -2.407 1.00 0.00 C ATOM 1366 CD LYS A 90 5.596 -14.714 -2.691 1.00 0.00 C ATOM 1367 CE LYS A 90 5.692 -15.562 -1.432 1.00 0.00 C ATOM 1368 NZ LYS A 90 7.060 -16.117 -1.241 1.00 0.00 N ATOM 0 H LYS A 90 4.759 -12.281 0.586 1.00 0.00 H new ATOM 0 HA LYS A 90 5.984 -10.809 -1.575 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.142 -13.146 -1.223 1.00 0.00 H new ATOM 0 HB3 LYS A 90 4.046 -12.283 -2.746 1.00 0.00 H new ATOM 0 HG2 LYS A 90 6.292 -12.783 -3.315 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.716 -13.198 -1.666 1.00 0.00 H new ATOM 0 HD2 LYS A 90 4.591 -14.791 -3.107 1.00 0.00 H new ATOM 0 HD3 LYS A 90 6.283 -15.100 -3.444 1.00 0.00 H new ATOM 0 HE2 LYS A 90 5.421 -14.958 -0.566 1.00 0.00 H new ATOM 0 HE3 LYS A 90 4.973 -16.379 -1.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 7.019 -16.924 -0.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 7.437 -16.434 -2.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 7.681 -15.382 -0.847 1.00 0.00 H new ATOM 1382 N VAL A 91 3.952 -9.590 -2.639 1.00 0.00 N ATOM 1383 CA VAL A 91 2.959 -8.588 -3.009 1.00 0.00 C ATOM 1384 C VAL A 91 2.592 -8.698 -4.485 1.00 0.00 C ATOM 1385 O VAL A 91 3.464 -8.815 -5.344 1.00 0.00 O ATOM 1386 CB VAL A 91 3.467 -7.162 -2.723 1.00 0.00 C ATOM 1387 CG1 VAL A 91 3.441 -6.876 -1.229 1.00 0.00 C ATOM 1388 CG2 VAL A 91 4.867 -6.972 -3.287 1.00 0.00 C ATOM 0 H VAL A 91 4.630 -9.803 -3.371 1.00 0.00 H new ATOM 0 HA VAL A 91 2.074 -8.779 -2.402 1.00 0.00 H new ATOM 0 HB VAL A 91 2.803 -6.452 -3.216 1.00 0.00 H new ATOM 0 HG11 VAL A 91 3.803 -5.864 -1.046 1.00 0.00 H new ATOM 0 HG12 VAL A 91 2.420 -6.969 -0.859 1.00 0.00 H new ATOM 0 HG13 VAL A 91 4.081 -7.590 -0.711 1.00 0.00 H new ATOM 0 HG21 VAL A 91 5.210 -5.959 -3.076 1.00 0.00 H new ATOM 0 HG22 VAL A 91 5.546 -7.689 -2.825 1.00 0.00 H new ATOM 0 HG23 VAL A 91 4.850 -7.132 -4.365 1.00 0.00 H new ATOM 1398 N GLU A 92 1.294 -8.660 -4.770 1.00 0.00 N ATOM 1399 CA GLU A 92 0.811 -8.756 -6.143 1.00 0.00 C ATOM 1400 C GLU A 92 0.719 -7.375 -6.785 1.00 0.00 C ATOM 1401 O GLU A 92 -0.184 -6.596 -6.479 1.00 0.00 O ATOM 1402 CB GLU A 92 -0.558 -9.440 -6.179 1.00 0.00 C ATOM 1403 CG GLU A 92 -0.827 -10.195 -7.469 1.00 0.00 C ATOM 1404 CD GLU A 92 -1.735 -11.392 -7.266 1.00 0.00 C ATOM 1405 OE1 GLU A 92 -1.862 -11.852 -6.112 1.00 0.00 O ATOM 1406 OE2 GLU A 92 -2.320 -11.868 -8.262 1.00 0.00 O ATOM 0 H GLU A 92 0.559 -8.564 -4.070 1.00 0.00 H new ATOM 0 HA GLU A 92 1.523 -9.355 -6.711 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -0.631 -10.133 -5.341 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -1.334 -8.688 -6.039 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -1.280 -9.519 -8.194 1.00 0.00 H new ATOM 0 HG3 GLU A 92 0.119 -10.530 -7.894 1.00 0.00 H new ATOM 1413 N TRP A 93 1.659 -7.080 -7.675 1.00 0.00 N ATOM 1414 CA TRP A 93 1.684 -5.792 -8.361 1.00 0.00 C ATOM 1415 C TRP A 93 0.604 -5.725 -9.434 1.00 0.00 C ATOM 1416 O TRP A 93 0.553 -6.569 -10.329 1.00 0.00 O ATOM 1417 CB TRP A 93 3.059 -5.552 -8.987 1.00 0.00 C ATOM 1418 CG TRP A 93 4.070 -5.023 -8.016 1.00 0.00 C ATOM 1419 CD1 TRP A 93 4.964 -5.753 -7.284 1.00 0.00 C ATOM 1420 CD2 TRP A 93 4.290 -3.652 -7.669 1.00 0.00 C ATOM 1421 NE1 TRP A 93 5.726 -4.917 -6.503 1.00 0.00 N ATOM 1422 CE2 TRP A 93 5.333 -3.623 -6.722 1.00 0.00 C ATOM 1423 CE3 TRP A 93 3.709 -2.445 -8.068 1.00 0.00 C ATOM 1424 CZ2 TRP A 93 5.803 -2.435 -6.169 1.00 0.00 C ATOM 1425 CZ3 TRP A 93 4.177 -1.267 -7.518 1.00 0.00 C ATOM 1426 CH2 TRP A 93 5.216 -1.269 -6.577 1.00 0.00 C ATOM 0 H TRP A 93 2.413 -7.714 -7.939 1.00 0.00 H new ATOM 0 HA TRP A 93 1.486 -5.012 -7.625 1.00 0.00 H new ATOM 0 HB2 TRP A 93 3.426 -6.487 -9.409 1.00 0.00 H new ATOM 0 HB3 TRP A 93 2.956 -4.848 -9.813 1.00 0.00 H new ATOM 0 HD1 TRP A 93 5.058 -6.828 -7.315 1.00 0.00 H new ATOM 0 HE1 TRP A 93 6.464 -5.212 -5.864 1.00 0.00 H new ATOM 0 HE3 TRP A 93 2.909 -2.433 -8.793 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 6.603 -2.434 -5.443 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 3.735 -0.329 -7.818 1.00 0.00 H new ATOM 0 HH2 TRP A 93 5.560 -0.331 -6.166 1.00 0.00 H new ATOM 1437 N ILE A 94 -0.257 -4.718 -9.339 1.00 0.00 N ATOM 1438 CA ILE A 94 -1.335 -4.542 -10.304 1.00 0.00 C ATOM 1439 C ILE A 94 -0.926 -3.582 -11.416 1.00 0.00 C ATOM 1440 O ILE A 94 -0.917 -3.947 -12.592 1.00 0.00 O ATOM 1441 CB ILE A 94 -2.614 -4.012 -9.629 1.00 0.00 C ATOM 1442 CG1 ILE A 94 -3.164 -5.047 -8.646 1.00 0.00 C ATOM 1443 CG2 ILE A 94 -3.659 -3.660 -10.676 1.00 0.00 C ATOM 1444 CD1 ILE A 94 -2.461 -5.042 -7.307 1.00 0.00 C ATOM 0 H ILE A 94 -0.229 -4.012 -8.604 1.00 0.00 H new ATOM 0 HA ILE A 94 -1.539 -5.524 -10.731 1.00 0.00 H new ATOM 0 HB ILE A 94 -2.366 -3.107 -9.074 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -4.226 -4.859 -8.490 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.077 -6.039 -9.089 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -4.557 -3.287 -10.183 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -3.264 -2.891 -11.340 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -3.906 -4.549 -11.256 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -2.903 -5.801 -6.661 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -1.403 -5.260 -7.451 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -2.570 -4.062 -6.843 1.00 0.00 H new ATOM 1456 N ARG A 95 -0.587 -2.355 -11.036 1.00 0.00 N ATOM 1457 CA ARG A 95 -0.176 -1.342 -12.002 1.00 0.00 C ATOM 1458 C ARG A 95 1.048 -0.580 -11.503 1.00 0.00 C ATOM 1459 O ARG A 95 1.048 -0.039 -10.397 1.00 0.00 O ATOM 1460 CB ARG A 95 -1.323 -0.366 -12.269 1.00 0.00 C ATOM 1461 CG ARG A 95 -2.587 -1.038 -12.781 1.00 0.00 C ATOM 1462 CD ARG A 95 -2.422 -1.519 -14.214 1.00 0.00 C ATOM 1463 NE ARG A 95 -3.372 -2.576 -14.549 1.00 0.00 N ATOM 1464 CZ ARG A 95 -3.667 -2.931 -15.795 1.00 0.00 C ATOM 1465 NH1 ARG A 95 -3.090 -2.316 -16.817 1.00 0.00 N ATOM 1466 NH2 ARG A 95 -4.542 -3.903 -16.019 1.00 0.00 N ATOM 0 H ARG A 95 -0.589 -2.038 -10.067 1.00 0.00 H new ATOM 0 HA ARG A 95 0.086 -1.848 -12.931 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -1.554 0.171 -11.349 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -0.996 0.376 -12.997 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -2.837 -1.883 -12.139 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -3.421 -0.338 -12.725 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -2.558 -0.680 -14.896 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -1.406 -1.886 -14.359 1.00 0.00 H new ATOM 0 HE ARG A 95 -3.834 -3.069 -13.785 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -2.417 -1.568 -16.648 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -3.318 -2.591 -17.772 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -4.989 -4.378 -15.235 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -4.768 -4.175 -16.976 1.00 0.00 H new ATOM 1480 N LYS A 96 2.091 -0.543 -12.325 1.00 0.00 N ATOM 1481 CA LYS A 96 3.323 0.152 -11.969 1.00 0.00 C ATOM 1482 C LYS A 96 3.351 1.552 -12.574 1.00 0.00 C ATOM 1483 O LYS A 96 4.420 2.112 -12.814 1.00 0.00 O ATOM 1484 CB LYS A 96 4.539 -0.645 -12.444 1.00 0.00 C ATOM 1485 CG LYS A 96 4.862 -1.842 -11.567 1.00 0.00 C ATOM 1486 CD LYS A 96 4.138 -3.092 -12.039 1.00 0.00 C ATOM 1487 CE LYS A 96 4.930 -4.350 -11.719 1.00 0.00 C ATOM 1488 NZ LYS A 96 4.262 -5.574 -12.240 1.00 0.00 N ATOM 0 H LYS A 96 2.108 -0.987 -13.243 1.00 0.00 H new ATOM 0 HA LYS A 96 3.359 0.243 -10.883 1.00 0.00 H new ATOM 0 HB2 LYS A 96 4.362 -0.989 -13.463 1.00 0.00 H new ATOM 0 HB3 LYS A 96 5.406 0.015 -12.477 1.00 0.00 H new ATOM 0 HG2 LYS A 96 5.937 -2.019 -11.574 1.00 0.00 H new ATOM 0 HG3 LYS A 96 4.581 -1.625 -10.536 1.00 0.00 H new ATOM 0 HD2 LYS A 96 3.158 -3.147 -11.564 1.00 0.00 H new ATOM 0 HD3 LYS A 96 3.968 -3.031 -13.114 1.00 0.00 H new ATOM 0 HE2 LYS A 96 5.928 -4.270 -12.150 1.00 0.00 H new ATOM 0 HE3 LYS A 96 5.054 -4.436 -10.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 4.833 -6.410 -12.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 3.319 -5.665 -11.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 4.166 -5.504 -13.273 1.00 0.00 H new ATOM 1502 N GLU A 97 2.170 2.111 -12.816 1.00 0.00 N ATOM 1503 CA GLU A 97 2.061 3.446 -13.392 1.00 0.00 C ATOM 1504 C GLU A 97 2.169 4.517 -12.310 1.00 0.00 C ATOM 1505 O GLU A 97 2.129 4.215 -11.117 1.00 0.00 O ATOM 1506 CB GLU A 97 0.737 3.596 -14.143 1.00 0.00 C ATOM 1507 CG GLU A 97 0.806 4.562 -15.314 1.00 0.00 C ATOM 1508 CD GLU A 97 2.053 4.371 -16.155 1.00 0.00 C ATOM 1509 OE1 GLU A 97 2.012 3.560 -17.103 1.00 0.00 O ATOM 1510 OE2 GLU A 97 3.071 5.034 -15.864 1.00 0.00 O ATOM 0 H GLU A 97 1.276 1.661 -12.622 1.00 0.00 H new ATOM 0 HA GLU A 97 2.885 3.579 -14.093 1.00 0.00 H new ATOM 0 HB2 GLU A 97 0.424 2.618 -14.508 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -0.029 3.937 -13.447 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -0.075 4.429 -15.942 1.00 0.00 H new ATOM 0 HG3 GLU A 97 0.779 5.585 -14.938 1.00 0.00 H new ATOM 1517 N SER A 98 2.305 5.769 -12.735 1.00 0.00 N ATOM 1518 CA SER A 98 2.422 6.884 -11.803 1.00 0.00 C ATOM 1519 C SER A 98 1.207 7.802 -11.899 1.00 0.00 C ATOM 1520 O SER A 98 0.985 8.453 -12.921 1.00 0.00 O ATOM 1521 CB SER A 98 3.699 7.679 -12.084 1.00 0.00 C ATOM 1522 OG SER A 98 4.708 6.846 -12.630 1.00 0.00 O ATOM 0 H SER A 98 2.337 6.037 -13.719 1.00 0.00 H new ATOM 0 HA SER A 98 2.470 6.478 -10.793 1.00 0.00 H new ATOM 0 HB2 SER A 98 3.480 8.492 -12.776 1.00 0.00 H new ATOM 0 HB3 SER A 98 4.059 8.134 -11.161 1.00 0.00 H new ATOM 0 HG SER A 98 5.513 7.377 -12.802 1.00 0.00 H new ATOM 1528 N LEU A 99 0.424 7.849 -10.827 1.00 0.00 N ATOM 1529 CA LEU A 99 -0.770 8.687 -10.788 1.00 0.00 C ATOM 1530 C LEU A 99 -0.492 9.996 -10.056 1.00 0.00 C ATOM 1531 O LEU A 99 -0.040 10.012 -8.911 1.00 0.00 O ATOM 1532 CB LEU A 99 -1.918 7.942 -10.106 1.00 0.00 C ATOM 1533 CG LEU A 99 -3.184 8.757 -9.840 1.00 0.00 C ATOM 1534 CD1 LEU A 99 -4.019 8.874 -11.106 1.00 0.00 C ATOM 1535 CD2 LEU A 99 -3.998 8.129 -8.719 1.00 0.00 C ATOM 0 H LEU A 99 0.594 7.317 -9.973 1.00 0.00 H new ATOM 0 HA LEU A 99 -1.055 8.919 -11.814 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -2.185 7.084 -10.723 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -1.556 7.550 -9.155 1.00 0.00 H new ATOM 0 HG LEU A 99 -2.889 9.759 -9.529 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -4.916 9.457 -10.898 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -3.436 9.370 -11.882 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -4.304 7.879 -11.447 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -4.895 8.723 -8.544 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -4.283 7.115 -9.000 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -3.400 8.098 -7.808 1.00 0.00 H new ATOM 1547 N PRO A 100 -0.771 11.122 -10.731 1.00 0.00 N ATOM 1548 CA PRO A 100 -0.562 12.457 -10.163 1.00 0.00 C ATOM 1549 C PRO A 100 -1.545 12.770 -9.040 1.00 0.00 C ATOM 1550 O PRO A 100 -2.741 12.505 -9.157 1.00 0.00 O ATOM 1551 CB PRO A 100 -0.796 13.390 -11.354 1.00 0.00 C ATOM 1552 CG PRO A 100 -1.692 12.623 -12.264 1.00 0.00 C ATOM 1553 CD PRO A 100 -1.312 11.178 -12.099 1.00 0.00 C ATOM 0 HA PRO A 100 0.425 12.558 -9.712 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -1.258 14.326 -11.039 1.00 0.00 H new ATOM 0 HB3 PRO A 100 0.142 13.647 -11.846 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -2.739 12.783 -12.006 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -1.565 12.944 -13.298 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -2.173 10.520 -12.218 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -0.571 10.870 -12.837 1.00 0.00 H new ATOM 1561 N PHE A 101 -1.032 13.336 -7.952 1.00 0.00 N ATOM 1562 CA PHE A 101 -1.866 13.685 -6.807 1.00 0.00 C ATOM 1563 C PHE A 101 -3.126 14.418 -7.255 1.00 0.00 C ATOM 1564 O PHE A 101 -4.222 14.146 -6.765 1.00 0.00 O ATOM 1565 CB PHE A 101 -1.080 14.553 -5.823 1.00 0.00 C ATOM 1566 CG PHE A 101 -0.007 13.803 -5.085 1.00 0.00 C ATOM 1567 CD1 PHE A 101 -0.299 12.617 -4.429 1.00 0.00 C ATOM 1568 CD2 PHE A 101 1.292 14.282 -5.049 1.00 0.00 C ATOM 1569 CE1 PHE A 101 0.685 11.926 -3.749 1.00 0.00 C ATOM 1570 CE2 PHE A 101 2.281 13.594 -4.371 1.00 0.00 C ATOM 1571 CZ PHE A 101 1.977 12.414 -3.721 1.00 0.00 C ATOM 0 H PHE A 101 -0.044 13.563 -7.839 1.00 0.00 H new ATOM 0 HA PHE A 101 -2.162 12.761 -6.310 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -0.625 15.382 -6.365 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -1.772 14.986 -5.100 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -1.307 12.229 -4.450 1.00 0.00 H new ATOM 0 HD2 PHE A 101 1.535 15.204 -5.557 1.00 0.00 H new ATOM 0 HE1 PHE A 101 0.444 11.005 -3.239 1.00 0.00 H new ATOM 0 HE2 PHE A 101 3.290 13.979 -4.350 1.00 0.00 H new ATOM 0 HZ PHE A 101 2.748 11.874 -3.192 1.00 0.00 H new ATOM 1581 N GLN A 102 -2.961 15.349 -8.190 1.00 0.00 N ATOM 1582 CA GLN A 102 -4.085 16.123 -8.703 1.00 0.00 C ATOM 1583 C GLN A 102 -5.313 15.238 -8.894 1.00 0.00 C ATOM 1584 O GLN A 102 -6.448 15.702 -8.785 1.00 0.00 O ATOM 1585 CB GLN A 102 -3.711 16.789 -10.028 1.00 0.00 C ATOM 1586 CG GLN A 102 -4.890 17.428 -10.743 1.00 0.00 C ATOM 1587 CD GLN A 102 -4.475 18.578 -11.640 1.00 0.00 C ATOM 1588 OE1 GLN A 102 -3.362 18.601 -12.164 1.00 0.00 O ATOM 1589 NE2 GLN A 102 -5.372 19.541 -11.821 1.00 0.00 N ATOM 0 H GLN A 102 -2.061 15.585 -8.607 1.00 0.00 H new ATOM 0 HA GLN A 102 -4.326 16.895 -7.972 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -2.954 17.551 -9.841 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -3.259 16.045 -10.684 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -5.401 16.673 -11.340 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -5.606 17.788 -10.004 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -6.283 19.481 -11.367 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -5.149 20.340 -12.414 1.00 0.00 H new ATOM 1598 N PHE A 103 -5.078 13.962 -9.181 1.00 0.00 N ATOM 1599 CA PHE A 103 -6.165 13.013 -9.389 1.00 0.00 C ATOM 1600 C PHE A 103 -6.805 12.619 -8.061 1.00 0.00 C ATOM 1601 O PHE A 103 -8.028 12.539 -7.949 1.00 0.00 O ATOM 1602 CB PHE A 103 -5.650 11.765 -10.110 1.00 0.00 C ATOM 1603 CG PHE A 103 -5.632 11.901 -11.606 1.00 0.00 C ATOM 1604 CD1 PHE A 103 -5.044 13.001 -12.208 1.00 0.00 C ATOM 1605 CD2 PHE A 103 -6.205 10.928 -12.409 1.00 0.00 C ATOM 1606 CE1 PHE A 103 -5.026 13.129 -13.584 1.00 0.00 C ATOM 1607 CE2 PHE A 103 -6.190 11.050 -13.786 1.00 0.00 C ATOM 1608 CZ PHE A 103 -5.601 12.153 -14.374 1.00 0.00 C ATOM 0 H PHE A 103 -4.145 13.561 -9.275 1.00 0.00 H new ATOM 0 HA PHE A 103 -6.922 13.496 -10.008 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -4.641 11.544 -9.761 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -6.275 10.914 -9.838 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -4.594 13.768 -11.595 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -6.668 10.065 -11.954 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -4.563 13.991 -14.041 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -6.638 10.284 -14.401 1.00 0.00 H new ATOM 0 HZ PHE A 103 -5.590 12.252 -15.449 1.00 0.00 H new ATOM 1618 N ALA A 104 -5.968 12.373 -7.058 1.00 0.00 N ATOM 1619 CA ALA A 104 -6.451 11.989 -5.737 1.00 0.00 C ATOM 1620 C ALA A 104 -6.377 13.160 -4.764 1.00 0.00 C ATOM 1621 O ALA A 104 -6.311 12.968 -3.549 1.00 0.00 O ATOM 1622 CB ALA A 104 -5.653 10.808 -5.207 1.00 0.00 C ATOM 0 H ALA A 104 -4.953 12.433 -7.135 1.00 0.00 H new ATOM 0 HA ALA A 104 -7.496 11.694 -5.830 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -6.024 10.532 -4.220 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -5.761 9.962 -5.885 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -4.601 11.083 -5.135 1.00 0.00 H new ATOM 1628 N HIS A 105 -6.387 14.375 -5.304 1.00 0.00 N ATOM 1629 CA HIS A 105 -6.321 15.578 -4.482 1.00 0.00 C ATOM 1630 C HIS A 105 -7.642 15.815 -3.758 1.00 0.00 C ATOM 1631 O HIS A 105 -7.662 16.276 -2.616 1.00 0.00 O ATOM 1632 CB HIS A 105 -5.974 16.792 -5.345 1.00 0.00 C ATOM 1633 CG HIS A 105 -5.599 18.004 -4.549 1.00 0.00 C ATOM 1634 ND1 HIS A 105 -5.842 18.122 -3.197 1.00 0.00 N ATOM 1635 CD2 HIS A 105 -4.995 19.157 -4.923 1.00 0.00 C ATOM 1636 CE1 HIS A 105 -5.404 19.294 -2.774 1.00 0.00 C ATOM 1637 NE2 HIS A 105 -4.886 19.941 -3.802 1.00 0.00 N ATOM 0 H HIS A 105 -6.440 14.552 -6.307 1.00 0.00 H new ATOM 0 HA HIS A 105 -5.539 15.436 -3.736 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -5.148 16.533 -6.008 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -6.827 17.033 -5.979 1.00 0.00 H new ATOM 0 HD1 HIS A 105 -6.290 17.415 -2.614 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -4.661 19.412 -5.918 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -5.460 19.661 -1.760 1.00 0.00 H new ATOM 1645 N HIS A 106 -8.745 15.496 -4.429 1.00 0.00 N ATOM 1646 CA HIS A 106 -10.071 15.675 -3.849 1.00 0.00 C ATOM 1647 C HIS A 106 -10.344 14.619 -2.782 1.00 0.00 C ATOM 1648 O HIS A 106 -11.062 14.871 -1.814 1.00 0.00 O ATOM 1649 CB HIS A 106 -11.141 15.603 -4.939 1.00 0.00 C ATOM 1650 CG HIS A 106 -11.294 14.240 -5.540 1.00 0.00 C ATOM 1651 ND1 HIS A 106 -10.361 13.682 -6.388 1.00 0.00 N ATOM 1652 CD2 HIS A 106 -12.279 13.321 -5.409 1.00 0.00 C ATOM 1653 CE1 HIS A 106 -10.766 12.480 -6.755 1.00 0.00 C ATOM 1654 NE2 HIS A 106 -11.927 12.236 -6.174 1.00 0.00 N ATOM 0 H HIS A 106 -8.746 15.113 -5.374 1.00 0.00 H new ATOM 0 HA HIS A 106 -10.106 16.658 -3.380 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -12.097 15.915 -4.519 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -10.892 16.313 -5.728 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -13.175 13.422 -4.814 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -10.238 11.810 -7.418 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -12.473 11.381 -6.277 1.00 0.00 H new ATOM 1662 N LEU A 107 -9.768 13.436 -2.966 1.00 0.00 N ATOM 1663 CA LEU A 107 -9.949 12.341 -2.019 1.00 0.00 C ATOM 1664 C LEU A 107 -9.256 12.646 -0.695 1.00 0.00 C ATOM 1665 O LEU A 107 -8.150 13.187 -0.671 1.00 0.00 O ATOM 1666 CB LEU A 107 -9.403 11.038 -2.606 1.00 0.00 C ATOM 1667 CG LEU A 107 -10.119 10.509 -3.849 1.00 0.00 C ATOM 1668 CD1 LEU A 107 -9.471 9.221 -4.331 1.00 0.00 C ATOM 1669 CD2 LEU A 107 -11.597 10.289 -3.560 1.00 0.00 C ATOM 0 H LEU A 107 -9.172 13.210 -3.762 1.00 0.00 H new ATOM 0 HA LEU A 107 -11.017 12.228 -1.831 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -8.352 11.187 -2.853 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -9.444 10.270 -1.834 1.00 0.00 H new ATOM 0 HG LEU A 107 -10.031 11.254 -4.640 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -9.994 8.860 -5.216 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -8.426 9.410 -4.579 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -9.527 8.469 -3.544 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -12.091 9.912 -4.456 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -11.706 9.564 -2.754 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -12.054 11.233 -3.263 1.00 0.00 H new ATOM 1681 N LEU A 108 -9.913 12.293 0.405 1.00 0.00 N ATOM 1682 CA LEU A 108 -9.359 12.526 1.734 1.00 0.00 C ATOM 1683 C LEU A 108 -9.577 11.315 2.635 1.00 0.00 C ATOM 1684 O LEU A 108 -10.255 10.361 2.256 1.00 0.00 O ATOM 1685 CB LEU A 108 -9.997 13.766 2.363 1.00 0.00 C ATOM 1686 CG LEU A 108 -10.222 14.954 1.427 1.00 0.00 C ATOM 1687 CD1 LEU A 108 -11.226 15.925 2.028 1.00 0.00 C ATOM 1688 CD2 LEU A 108 -8.906 15.658 1.133 1.00 0.00 C ATOM 0 H LEU A 108 -10.829 11.845 0.403 1.00 0.00 H new ATOM 0 HA LEU A 108 -8.286 12.689 1.630 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -10.958 13.479 2.790 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -9.367 14.095 3.189 1.00 0.00 H new ATOM 0 HG LEU A 108 -10.628 14.580 0.487 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -11.373 16.764 1.348 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -12.176 15.415 2.186 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -10.849 16.294 2.982 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -9.085 16.501 0.465 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -8.471 16.019 2.065 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -8.218 14.959 0.658 1.00 0.00 H new ATOM 1700 N ASN A 109 -8.999 11.362 3.831 1.00 0.00 N ATOM 1701 CA ASN A 109 -9.132 10.269 4.787 1.00 0.00 C ATOM 1702 C ASN A 109 -9.821 10.743 6.063 1.00 0.00 C ATOM 1703 O ASN A 109 -9.235 11.439 6.893 1.00 0.00 O ATOM 1704 CB ASN A 109 -7.757 9.687 5.123 1.00 0.00 C ATOM 1705 CG ASN A 109 -7.851 8.441 5.982 1.00 0.00 C ATOM 1706 OD1 ASN A 109 -7.336 8.403 7.099 1.00 0.00 O ATOM 1707 ND2 ASN A 109 -8.511 7.412 5.462 1.00 0.00 N ATOM 0 H ASN A 109 -8.434 12.145 4.161 1.00 0.00 H new ATOM 0 HA ASN A 109 -9.746 9.493 4.330 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -7.231 9.449 4.199 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -7.164 10.440 5.643 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -8.606 6.546 5.993 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -8.922 7.488 4.532 1.00 0.00 H new ATOM 1714 N PRO A 110 -11.096 10.358 6.226 1.00 0.00 N ATOM 1715 CA PRO A 110 -11.892 10.732 7.399 1.00 0.00 C ATOM 1716 C PRO A 110 -11.416 10.034 8.669 1.00 0.00 C ATOM 1717 O PRO A 110 -12.015 10.186 9.733 1.00 0.00 O ATOM 1718 CB PRO A 110 -13.304 10.269 7.031 1.00 0.00 C ATOM 1719 CG PRO A 110 -13.097 9.168 6.048 1.00 0.00 C ATOM 1720 CD PRO A 110 -11.857 9.528 5.278 1.00 0.00 C ATOM 0 HA PRO A 110 -11.821 11.798 7.617 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -13.847 9.919 7.909 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -13.887 11.082 6.598 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -12.978 8.210 6.554 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -13.955 9.072 5.383 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -11.297 8.641 4.981 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -12.095 10.075 4.366 1.00 0.00 H new ATOM 1728 N TRP A 111 -10.337 9.269 8.549 1.00 0.00 N ATOM 1729 CA TRP A 111 -9.781 8.547 9.688 1.00 0.00 C ATOM 1730 C TRP A 111 -8.568 9.277 10.255 1.00 0.00 C ATOM 1731 O TRP A 111 -8.099 8.963 11.347 1.00 0.00 O ATOM 1732 CB TRP A 111 -9.391 7.127 9.277 1.00 0.00 C ATOM 1733 CG TRP A 111 -10.559 6.190 9.196 1.00 0.00 C ATOM 1734 CD1 TRP A 111 -11.868 6.528 8.999 1.00 0.00 C ATOM 1735 CD2 TRP A 111 -10.523 4.764 9.310 1.00 0.00 C ATOM 1736 NE1 TRP A 111 -12.648 5.396 8.985 1.00 0.00 N ATOM 1737 CE2 TRP A 111 -11.846 4.301 9.173 1.00 0.00 C ATOM 1738 CE3 TRP A 111 -9.502 3.832 9.514 1.00 0.00 C ATOM 1739 CZ2 TRP A 111 -12.172 2.949 9.233 1.00 0.00 C ATOM 1740 CZ3 TRP A 111 -9.827 2.490 9.574 1.00 0.00 C ATOM 1741 CH2 TRP A 111 -11.153 2.059 9.434 1.00 0.00 C ATOM 0 H TRP A 111 -9.830 9.133 7.675 1.00 0.00 H new ATOM 0 HA TRP A 111 -10.546 8.496 10.463 1.00 0.00 H new ATOM 0 HB2 TRP A 111 -8.893 7.161 8.308 1.00 0.00 H new ATOM 0 HB3 TRP A 111 -8.669 6.735 9.993 1.00 0.00 H new ATOM 0 HD1 TRP A 111 -12.236 7.536 8.873 1.00 0.00 H new ATOM 0 HE1 TRP A 111 -13.660 5.375 8.856 1.00 0.00 H new ATOM 0 HE3 TRP A 111 -8.477 4.155 9.623 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 -13.193 2.615 9.125 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 -9.046 1.761 9.731 1.00 0.00 H new ATOM 0 HH2 TRP A 111 -11.375 1.003 9.486 1.00 0.00 H new ATOM 1752 N ASN A 112 -8.066 10.252 9.505 1.00 0.00 N ATOM 1753 CA ASN A 112 -6.907 11.026 9.933 1.00 0.00 C ATOM 1754 C ASN A 112 -7.136 12.518 9.712 1.00 0.00 C ATOM 1755 O ASN A 112 -6.444 13.152 8.914 1.00 0.00 O ATOM 1756 CB ASN A 112 -5.657 10.573 9.177 1.00 0.00 C ATOM 1757 CG ASN A 112 -4.386 11.170 9.750 1.00 0.00 C ATOM 1758 OD1 ASN A 112 -3.936 10.781 10.828 1.00 0.00 O ATOM 1759 ND2 ASN A 112 -3.800 12.119 9.030 1.00 0.00 N ATOM 0 H ASN A 112 -8.444 10.525 8.598 1.00 0.00 H new ATOM 0 HA ASN A 112 -6.761 10.853 10.999 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -5.591 9.485 9.209 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -5.747 10.856 8.128 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -2.942 12.557 9.365 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -4.208 12.411 8.142 1.00 0.00 H new ATOM 1766 N ASP A 113 -8.112 13.073 10.422 1.00 0.00 N ATOM 1767 CA ASP A 113 -8.432 14.491 10.305 1.00 0.00 C ATOM 1768 C ASP A 113 -8.846 14.838 8.878 1.00 0.00 C ATOM 1769 O ASP A 113 -8.440 15.866 8.337 1.00 0.00 O ATOM 1770 CB ASP A 113 -7.233 15.343 10.723 1.00 0.00 C ATOM 1771 CG ASP A 113 -6.878 15.164 12.186 1.00 0.00 C ATOM 1772 OD1 ASP A 113 -7.740 15.447 13.045 1.00 0.00 O ATOM 1773 OD2 ASP A 113 -5.739 14.740 12.472 1.00 0.00 O ATOM 0 H ASP A 113 -8.695 12.562 11.085 1.00 0.00 H new ATOM 0 HA ASP A 113 -9.269 14.706 10.970 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -6.372 15.080 10.108 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -7.453 16.393 10.531 1.00 0.00 H new ATOM 1778 N ASN A 114 -9.655 13.973 8.275 1.00 0.00 N ATOM 1779 CA ASN A 114 -10.122 14.188 6.910 1.00 0.00 C ATOM 1780 C ASN A 114 -9.000 14.730 6.030 1.00 0.00 C ATOM 1781 O ASN A 114 -9.250 15.393 5.022 1.00 0.00 O ATOM 1782 CB ASN A 114 -11.306 15.157 6.900 1.00 0.00 C ATOM 1783 CG ASN A 114 -12.272 14.878 5.764 1.00 0.00 C ATOM 1784 OD1 ASN A 114 -12.038 13.996 4.938 1.00 0.00 O ATOM 1785 ND2 ASN A 114 -13.363 15.633 5.718 1.00 0.00 N ATOM 0 H ASN A 114 -10.001 13.117 8.709 1.00 0.00 H new ATOM 0 HA ASN A 114 -10.444 13.227 6.508 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -11.837 15.088 7.850 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -10.935 16.179 6.815 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -14.049 15.493 4.976 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -13.515 16.353 6.425 1.00 0.00 H new ATOM 1792 N LYS A 115 -7.761 14.444 6.416 1.00 0.00 N ATOM 1793 CA LYS A 115 -6.599 14.900 5.663 1.00 0.00 C ATOM 1794 C LYS A 115 -6.473 14.142 4.346 1.00 0.00 C ATOM 1795 O LYS A 115 -6.655 12.925 4.297 1.00 0.00 O ATOM 1796 CB LYS A 115 -5.325 14.719 6.492 1.00 0.00 C ATOM 1797 CG LYS A 115 -5.039 15.881 7.428 1.00 0.00 C ATOM 1798 CD LYS A 115 -4.656 17.135 6.660 1.00 0.00 C ATOM 1799 CE LYS A 115 -4.293 18.275 7.599 1.00 0.00 C ATOM 1800 NZ LYS A 115 -2.887 18.174 8.077 1.00 0.00 N ATOM 0 H LYS A 115 -7.536 13.898 7.247 1.00 0.00 H new ATOM 0 HA LYS A 115 -6.733 15.959 5.441 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -5.410 13.804 7.078 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -4.478 14.589 5.818 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -5.919 16.082 8.039 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -4.233 15.610 8.110 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -3.812 16.918 6.006 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -5.485 17.439 6.021 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -4.435 19.227 7.087 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -4.969 18.270 8.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -2.679 18.969 8.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -2.758 17.278 8.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -2.241 18.205 7.263 1.00 0.00 H new ATOM 1814 N LYS A 116 -6.159 14.868 3.278 1.00 0.00 N ATOM 1815 CA LYS A 116 -6.005 14.265 1.960 1.00 0.00 C ATOM 1816 C LYS A 116 -5.404 12.867 2.068 1.00 0.00 C ATOM 1817 O LYS A 116 -4.670 12.568 3.010 1.00 0.00 O ATOM 1818 CB LYS A 116 -5.121 15.145 1.073 1.00 0.00 C ATOM 1819 CG LYS A 116 -4.544 14.414 -0.127 1.00 0.00 C ATOM 1820 CD LYS A 116 -4.371 15.344 -1.316 1.00 0.00 C ATOM 1821 CE LYS A 116 -3.660 16.629 -0.920 1.00 0.00 C ATOM 1822 NZ LYS A 116 -2.226 16.393 -0.595 1.00 0.00 N ATOM 0 H LYS A 116 -6.006 15.876 3.300 1.00 0.00 H new ATOM 0 HA LYS A 116 -6.994 14.182 1.508 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -5.705 15.996 0.723 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -4.303 15.545 1.672 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -3.581 13.979 0.139 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -5.201 13.589 -0.402 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -3.802 14.838 -2.096 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -5.347 15.582 -1.738 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -3.734 17.350 -1.734 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -4.160 17.069 -0.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -1.829 17.240 -0.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -2.145 15.582 0.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -1.700 16.192 -1.470 1.00 0.00 H new ATOM 1836 N VAL A 117 -5.718 12.016 1.097 1.00 0.00 N ATOM 1837 CA VAL A 117 -5.207 10.651 1.082 1.00 0.00 C ATOM 1838 C VAL A 117 -3.682 10.635 1.082 1.00 0.00 C ATOM 1839 O VAL A 117 -3.057 10.212 2.054 1.00 0.00 O ATOM 1840 CB VAL A 117 -5.717 9.874 -0.147 1.00 0.00 C ATOM 1841 CG1 VAL A 117 -5.381 8.395 -0.020 1.00 0.00 C ATOM 1842 CG2 VAL A 117 -7.214 10.076 -0.320 1.00 0.00 C ATOM 0 H VAL A 117 -6.324 12.248 0.310 1.00 0.00 H new ATOM 0 HA VAL A 117 -5.573 10.166 1.987 1.00 0.00 H new ATOM 0 HB VAL A 117 -5.216 10.261 -1.034 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -5.749 7.862 -0.897 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -4.300 8.272 0.053 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -5.853 7.990 0.875 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -7.558 9.520 -1.193 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -7.735 9.716 0.567 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -7.424 11.136 -0.459 1.00 0.00 H new ATOM 1852 N GLN A 118 -3.091 11.099 -0.014 1.00 0.00 N ATOM 1853 CA GLN A 118 -1.639 11.138 -0.139 1.00 0.00 C ATOM 1854 C GLN A 118 -0.990 11.569 1.172 1.00 0.00 C ATOM 1855 O GLN A 118 0.168 11.247 1.438 1.00 0.00 O ATOM 1856 CB GLN A 118 -1.228 12.091 -1.263 1.00 0.00 C ATOM 1857 CG GLN A 118 -1.294 13.558 -0.871 1.00 0.00 C ATOM 1858 CD GLN A 118 -0.143 14.366 -1.438 1.00 0.00 C ATOM 1859 OE1 GLN A 118 -0.371 14.997 -2.584 1.00 0.00 O flip ATOM 1860 NE2 GLN A 118 0.939 14.422 -0.853 1.00 0.00 N flip ATOM 0 H GLN A 118 -3.595 11.453 -0.827 1.00 0.00 H new ATOM 0 HA GLN A 118 -1.294 10.133 -0.380 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -0.212 11.853 -1.577 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -1.875 11.924 -2.124 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -2.236 13.981 -1.219 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -1.290 13.640 0.216 1.00 0.00 H new ATOM 0 HE21 GLN A 118 1.070 13.921 0.026 1.00 0.00 H new ATOM 0 HE22 GLN A 118 1.704 14.969 -1.247 1.00 0.00 H new ATOM 1869 N ILE A 119 -1.744 12.301 1.986 1.00 0.00 N ATOM 1870 CA ILE A 119 -1.242 12.776 3.269 1.00 0.00 C ATOM 1871 C ILE A 119 -1.331 11.685 4.332 1.00 0.00 C ATOM 1872 O ILE A 119 -2.112 11.788 5.278 1.00 0.00 O ATOM 1873 CB ILE A 119 -2.019 14.014 3.754 1.00 0.00 C ATOM 1874 CG1 ILE A 119 -1.965 15.122 2.700 1.00 0.00 C ATOM 1875 CG2 ILE A 119 -1.456 14.508 5.078 1.00 0.00 C ATOM 1876 CD1 ILE A 119 -2.637 16.405 3.137 1.00 0.00 C ATOM 0 H ILE A 119 -2.704 12.578 1.780 1.00 0.00 H new ATOM 0 HA ILE A 119 -0.198 13.049 3.118 1.00 0.00 H new ATOM 0 HB ILE A 119 -3.061 13.733 3.907 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -0.923 15.331 2.458 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -2.440 14.766 1.786 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -2.016 15.383 5.407 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -1.541 13.720 5.826 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -0.407 14.775 4.950 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -2.560 17.145 2.341 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -3.688 16.211 3.352 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -2.148 16.785 4.034 1.00 0.00 H new ATOM 1888 N SER A 120 -0.524 10.642 4.170 1.00 0.00 N ATOM 1889 CA SER A 120 -0.512 9.531 5.115 1.00 0.00 C ATOM 1890 C SER A 120 0.890 8.946 5.249 1.00 0.00 C ATOM 1891 O SER A 120 1.619 8.821 4.265 1.00 0.00 O ATOM 1892 CB SER A 120 -1.490 8.443 4.666 1.00 0.00 C ATOM 1893 OG SER A 120 -2.783 8.668 5.200 1.00 0.00 O ATOM 0 H SER A 120 0.130 10.543 3.394 1.00 0.00 H new ATOM 0 HA SER A 120 -0.822 9.911 6.088 1.00 0.00 H new ATOM 0 HB2 SER A 120 -1.541 8.422 3.577 1.00 0.00 H new ATOM 0 HB3 SER A 120 -1.125 7.467 4.987 1.00 0.00 H new ATOM 0 HG SER A 120 -2.904 9.625 5.372 1.00 0.00 H new ATOM 1899 N ARG A 121 1.262 8.591 6.475 1.00 0.00 N ATOM 1900 CA ARG A 121 2.577 8.021 6.739 1.00 0.00 C ATOM 1901 C ARG A 121 2.547 6.500 6.611 1.00 0.00 C ATOM 1902 O ARG A 121 1.478 5.898 6.502 1.00 0.00 O ATOM 1903 CB ARG A 121 3.056 8.416 8.137 1.00 0.00 C ATOM 1904 CG ARG A 121 3.552 9.849 8.229 1.00 0.00 C ATOM 1905 CD ARG A 121 2.401 10.828 8.399 1.00 0.00 C ATOM 1906 NE ARG A 121 2.863 12.213 8.449 1.00 0.00 N ATOM 1907 CZ ARG A 121 2.046 13.257 8.524 1.00 0.00 C ATOM 1908 NH1 ARG A 121 0.733 13.075 8.558 1.00 0.00 N ATOM 1909 NH2 ARG A 121 2.542 14.487 8.566 1.00 0.00 N ATOM 0 H ARG A 121 0.671 8.688 7.301 1.00 0.00 H new ATOM 0 HA ARG A 121 3.272 8.417 5.998 1.00 0.00 H new ATOM 0 HB2 ARG A 121 2.238 8.277 8.844 1.00 0.00 H new ATOM 0 HB3 ARG A 121 3.858 7.743 8.441 1.00 0.00 H new ATOM 0 HG2 ARG A 121 4.239 9.944 9.070 1.00 0.00 H new ATOM 0 HG3 ARG A 121 4.114 10.099 7.329 1.00 0.00 H new ATOM 0 HD2 ARG A 121 1.699 10.710 7.573 1.00 0.00 H new ATOM 0 HD3 ARG A 121 1.858 10.594 9.315 1.00 0.00 H new ATOM 0 HE ARG A 121 3.868 12.387 8.425 1.00 0.00 H new ATOM 0 HH11 ARG A 121 0.348 12.131 8.527 1.00 0.00 H new ATOM 0 HH12 ARG A 121 0.108 13.879 8.616 1.00 0.00 H new ATOM 0 HH21 ARG A 121 3.551 14.631 8.541 1.00 0.00 H new ATOM 0 HH22 ARG A 121 1.914 15.289 8.624 1.00 0.00 H new ATOM 1923 N ASP A 122 3.725 5.887 6.625 1.00 0.00 N ATOM 1924 CA ASP A 122 3.833 4.437 6.511 1.00 0.00 C ATOM 1925 C ASP A 122 3.075 3.745 7.639 1.00 0.00 C ATOM 1926 O ASP A 122 3.112 4.185 8.788 1.00 0.00 O ATOM 1927 CB ASP A 122 5.302 4.011 6.531 1.00 0.00 C ATOM 1928 CG ASP A 122 5.472 2.531 6.809 1.00 0.00 C ATOM 1929 OD1 ASP A 122 5.293 1.727 5.870 1.00 0.00 O ATOM 1930 OD2 ASP A 122 5.785 2.176 7.964 1.00 0.00 O ATOM 0 H ASP A 122 4.618 6.371 6.714 1.00 0.00 H new ATOM 0 HA ASP A 122 3.388 4.138 5.562 1.00 0.00 H new ATOM 0 HB2 ASP A 122 5.760 4.252 5.572 1.00 0.00 H new ATOM 0 HB3 ASP A 122 5.833 4.584 7.291 1.00 0.00 H new ATOM 1935 N GLY A 123 2.386 2.659 7.303 1.00 0.00 N ATOM 1936 CA GLY A 123 1.627 1.924 8.298 1.00 0.00 C ATOM 1937 C GLY A 123 0.401 2.682 8.769 1.00 0.00 C ATOM 1938 O GLY A 123 0.051 2.636 9.948 1.00 0.00 O ATOM 0 H GLY A 123 2.340 2.275 6.359 1.00 0.00 H new ATOM 0 HA2 GLY A 123 1.319 0.965 7.881 1.00 0.00 H new ATOM 0 HA3 GLY A 123 2.268 1.708 9.153 1.00 0.00 H new ATOM 1942 N GLN A 124 -0.250 3.383 7.846 1.00 0.00 N ATOM 1943 CA GLN A 124 -1.441 4.157 8.175 1.00 0.00 C ATOM 1944 C GLN A 124 -2.694 3.490 7.617 1.00 0.00 C ATOM 1945 O GLN A 124 -2.805 3.267 6.412 1.00 0.00 O ATOM 1946 CB GLN A 124 -1.319 5.579 7.626 1.00 0.00 C ATOM 1947 CG GLN A 124 -2.364 6.536 8.178 1.00 0.00 C ATOM 1948 CD GLN A 124 -2.448 6.498 9.691 1.00 0.00 C ATOM 1949 OE1 GLN A 124 -1.459 6.734 10.386 1.00 0.00 O ATOM 1950 NE2 GLN A 124 -3.633 6.201 10.211 1.00 0.00 N ATOM 0 H GLN A 124 0.027 3.431 6.866 1.00 0.00 H new ATOM 0 HA GLN A 124 -1.527 4.201 9.261 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -0.326 5.965 7.858 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -1.404 5.549 6.540 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -2.128 7.550 7.856 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -3.338 6.286 7.757 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -4.426 6.012 9.598 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -3.750 6.162 11.223 1.00 0.00 H new ATOM 1959 N GLU A 125 -3.634 3.173 8.502 1.00 0.00 N ATOM 1960 CA GLU A 125 -4.879 2.530 8.096 1.00 0.00 C ATOM 1961 C GLU A 125 -5.716 3.465 7.228 1.00 0.00 C ATOM 1962 O GLU A 125 -6.012 4.595 7.618 1.00 0.00 O ATOM 1963 CB GLU A 125 -5.682 2.103 9.326 1.00 0.00 C ATOM 1964 CG GLU A 125 -6.542 0.872 9.094 1.00 0.00 C ATOM 1965 CD GLU A 125 -6.846 0.122 10.376 1.00 0.00 C ATOM 1966 OE1 GLU A 125 -7.070 0.784 11.411 1.00 0.00 O ATOM 1967 OE2 GLU A 125 -6.859 -1.126 10.345 1.00 0.00 O ATOM 0 H GLU A 125 -3.558 3.351 9.504 1.00 0.00 H new ATOM 0 HA GLU A 125 -4.628 1.646 7.510 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -4.994 1.906 10.148 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -6.321 2.929 9.637 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -7.478 1.171 8.622 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -6.034 0.204 8.399 1.00 0.00 H new ATOM 1974 N LEU A 126 -6.094 2.986 6.048 1.00 0.00 N ATOM 1975 CA LEU A 126 -6.897 3.777 5.122 1.00 0.00 C ATOM 1976 C LEU A 126 -8.310 3.214 5.009 1.00 0.00 C ATOM 1977 O LEU A 126 -8.497 2.010 4.839 1.00 0.00 O ATOM 1978 CB LEU A 126 -6.237 3.810 3.743 1.00 0.00 C ATOM 1979 CG LEU A 126 -6.850 4.775 2.728 1.00 0.00 C ATOM 1980 CD1 LEU A 126 -6.554 6.216 3.114 1.00 0.00 C ATOM 1981 CD2 LEU A 126 -6.331 4.479 1.329 1.00 0.00 C ATOM 0 H LEU A 126 -5.857 2.053 5.710 1.00 0.00 H new ATOM 0 HA LEU A 126 -6.961 4.793 5.512 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -5.186 4.069 3.872 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -6.268 2.805 3.323 1.00 0.00 H new ATOM 0 HG LEU A 126 -7.931 4.635 2.730 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -6.998 6.888 2.380 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -6.976 6.423 4.098 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -5.475 6.371 3.142 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -6.778 5.176 0.620 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -5.247 4.590 1.312 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -6.596 3.459 1.051 1.00 0.00 H new ATOM 1993 N GLU A 127 -9.302 4.095 5.102 1.00 0.00 N ATOM 1994 CA GLU A 127 -10.698 3.685 5.008 1.00 0.00 C ATOM 1995 C GLU A 127 -10.977 3.007 3.669 1.00 0.00 C ATOM 1996 O GLU A 127 -10.495 3.430 2.618 1.00 0.00 O ATOM 1997 CB GLU A 127 -11.620 4.893 5.182 1.00 0.00 C ATOM 1998 CG GLU A 127 -13.054 4.521 5.520 1.00 0.00 C ATOM 1999 CD GLU A 127 -13.946 5.734 5.699 1.00 0.00 C ATOM 2000 OE1 GLU A 127 -14.318 6.352 4.679 1.00 0.00 O ATOM 2001 OE2 GLU A 127 -14.271 6.066 6.858 1.00 0.00 O ATOM 0 H GLU A 127 -9.164 5.096 5.242 1.00 0.00 H new ATOM 0 HA GLU A 127 -10.894 2.969 5.806 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -11.223 5.531 5.972 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -11.613 5.480 4.264 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -13.458 3.891 4.727 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -13.065 3.928 6.435 1.00 0.00 H new ATOM 2008 N PRO A 128 -11.775 1.930 3.707 1.00 0.00 N ATOM 2009 CA PRO A 128 -12.137 1.170 2.507 1.00 0.00 C ATOM 2010 C PRO A 128 -13.070 1.951 1.586 1.00 0.00 C ATOM 2011 O PRO A 128 -13.445 1.470 0.517 1.00 0.00 O ATOM 2012 CB PRO A 128 -12.849 -0.063 3.068 1.00 0.00 C ATOM 2013 CG PRO A 128 -13.378 0.374 4.391 1.00 0.00 C ATOM 2014 CD PRO A 128 -12.386 1.371 4.925 1.00 0.00 C ATOM 0 HA PRO A 128 -11.266 0.934 1.896 1.00 0.00 H new ATOM 0 HB2 PRO A 128 -13.653 -0.390 2.409 1.00 0.00 H new ATOM 0 HB3 PRO A 128 -12.162 -0.903 3.174 1.00 0.00 H new ATOM 0 HG2 PRO A 128 -14.366 0.823 4.287 1.00 0.00 H new ATOM 0 HG3 PRO A 128 -13.483 -0.473 5.069 1.00 0.00 H new ATOM 0 HD2 PRO A 128 -12.873 2.143 5.521 1.00 0.00 H new ATOM 0 HD3 PRO A 128 -11.643 0.895 5.565 1.00 0.00 H new ATOM 2022 N GLN A 129 -13.440 3.155 2.009 1.00 0.00 N ATOM 2023 CA GLN A 129 -14.329 4.001 1.222 1.00 0.00 C ATOM 2024 C GLN A 129 -13.535 4.885 0.267 1.00 0.00 C ATOM 2025 O GLN A 129 -13.889 5.026 -0.904 1.00 0.00 O ATOM 2026 CB GLN A 129 -15.190 4.868 2.142 1.00 0.00 C ATOM 2027 CG GLN A 129 -16.561 5.189 1.569 1.00 0.00 C ATOM 2028 CD GLN A 129 -16.540 6.390 0.644 1.00 0.00 C ATOM 2029 OE1 GLN A 129 -16.959 6.306 -0.511 1.00 0.00 O ATOM 2030 NE2 GLN A 129 -16.051 7.517 1.148 1.00 0.00 N ATOM 0 H GLN A 129 -13.138 3.567 2.892 1.00 0.00 H new ATOM 0 HA GLN A 129 -14.978 3.353 0.633 1.00 0.00 H new ATOM 0 HB2 GLN A 129 -15.315 4.357 3.097 1.00 0.00 H new ATOM 0 HB3 GLN A 129 -14.664 5.800 2.346 1.00 0.00 H new ATOM 0 HG2 GLN A 129 -16.935 4.322 1.024 1.00 0.00 H new ATOM 0 HG3 GLN A 129 -17.257 5.377 2.386 1.00 0.00 H new ATOM 0 HE21 GLN A 129 -15.715 7.541 2.111 1.00 0.00 H new ATOM 0 HE22 GLN A 129 -16.012 8.358 0.573 1.00 0.00 H new ATOM 2039 N VAL A 130 -12.460 5.480 0.774 1.00 0.00 N ATOM 2040 CA VAL A 130 -11.614 6.350 -0.035 1.00 0.00 C ATOM 2041 C VAL A 130 -10.492 5.563 -0.700 1.00 0.00 C ATOM 2042 O VAL A 130 -9.915 6.003 -1.693 1.00 0.00 O ATOM 2043 CB VAL A 130 -11.001 7.481 0.812 1.00 0.00 C ATOM 2044 CG1 VAL A 130 -12.092 8.267 1.524 1.00 0.00 C ATOM 2045 CG2 VAL A 130 -10.002 6.917 1.810 1.00 0.00 C ATOM 0 H VAL A 130 -12.154 5.376 1.741 1.00 0.00 H new ATOM 0 HA VAL A 130 -12.252 6.786 -0.804 1.00 0.00 H new ATOM 0 HB VAL A 130 -10.471 8.163 0.147 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -11.640 9.062 2.117 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -12.766 8.703 0.787 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -12.653 7.600 2.179 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -9.579 7.730 2.400 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -10.507 6.213 2.472 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -9.204 6.403 1.275 1.00 0.00 H new ATOM 2055 N GLY A 131 -10.187 4.393 -0.145 1.00 0.00 N ATOM 2056 CA GLY A 131 -9.134 3.562 -0.698 1.00 0.00 C ATOM 2057 C GLY A 131 -9.575 2.820 -1.944 1.00 0.00 C ATOM 2058 O GLY A 131 -8.744 2.357 -2.725 1.00 0.00 O ATOM 0 H GLY A 131 -10.651 4.007 0.677 1.00 0.00 H new ATOM 0 HA2 GLY A 131 -8.271 4.184 -0.936 1.00 0.00 H new ATOM 0 HA3 GLY A 131 -8.810 2.843 0.054 1.00 0.00 H new ATOM 2062 N GLU A 132 -10.887 2.707 -2.130 1.00 0.00 N ATOM 2063 CA GLU A 132 -11.436 2.013 -3.290 1.00 0.00 C ATOM 2064 C GLU A 132 -11.544 2.955 -4.486 1.00 0.00 C ATOM 2065 O GLU A 132 -11.187 2.593 -5.606 1.00 0.00 O ATOM 2066 CB GLU A 132 -12.811 1.431 -2.959 1.00 0.00 C ATOM 2067 CG GLU A 132 -13.930 2.458 -2.988 1.00 0.00 C ATOM 2068 CD GLU A 132 -15.285 1.854 -2.674 1.00 0.00 C ATOM 2069 OE1 GLU A 132 -15.904 1.274 -3.592 1.00 0.00 O ATOM 2070 OE2 GLU A 132 -15.727 1.960 -1.511 1.00 0.00 O ATOM 0 H GLU A 132 -11.588 3.086 -1.494 1.00 0.00 H new ATOM 0 HA GLU A 132 -10.758 1.200 -3.550 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -13.040 0.636 -3.669 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -12.774 0.974 -1.970 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -13.713 3.247 -2.268 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -13.964 2.925 -3.972 1.00 0.00 H new ATOM 2077 N GLN A 133 -12.040 4.162 -4.238 1.00 0.00 N ATOM 2078 CA GLN A 133 -12.197 5.155 -5.294 1.00 0.00 C ATOM 2079 C GLN A 133 -10.856 5.788 -5.649 1.00 0.00 C ATOM 2080 O GLN A 133 -10.745 6.521 -6.633 1.00 0.00 O ATOM 2081 CB GLN A 133 -13.188 6.238 -4.862 1.00 0.00 C ATOM 2082 CG GLN A 133 -12.783 6.959 -3.586 1.00 0.00 C ATOM 2083 CD GLN A 133 -13.838 7.937 -3.109 1.00 0.00 C ATOM 2084 OE1 GLN A 133 -13.550 8.631 -2.014 1.00 0.00 O flip ATOM 2085 NE2 GLN A 133 -14.901 8.067 -3.717 1.00 0.00 N flip ATOM 0 H GLN A 133 -12.340 4.476 -3.315 1.00 0.00 H new ATOM 0 HA GLN A 133 -12.585 4.650 -6.179 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -13.289 6.968 -5.665 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -14.169 5.785 -4.718 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -12.593 6.225 -2.803 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -11.848 7.493 -3.756 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -15.081 7.513 -4.554 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -15.602 8.729 -3.383 1.00 0.00 H new ATOM 2094 N LEU A 134 -9.840 5.502 -4.843 1.00 0.00 N ATOM 2095 CA LEU A 134 -8.505 6.043 -5.072 1.00 0.00 C ATOM 2096 C LEU A 134 -7.764 5.234 -6.132 1.00 0.00 C ATOM 2097 O LEU A 134 -6.993 5.783 -6.920 1.00 0.00 O ATOM 2098 CB LEU A 134 -7.706 6.052 -3.768 1.00 0.00 C ATOM 2099 CG LEU A 134 -6.186 6.130 -3.913 1.00 0.00 C ATOM 2100 CD1 LEU A 134 -5.750 7.559 -4.202 1.00 0.00 C ATOM 2101 CD2 LEU A 134 -5.502 5.606 -2.659 1.00 0.00 C ATOM 0 H LEU A 134 -9.915 4.898 -4.024 1.00 0.00 H new ATOM 0 HA LEU A 134 -8.611 7.066 -5.432 1.00 0.00 H new ATOM 0 HB2 LEU A 134 -8.038 6.899 -3.168 1.00 0.00 H new ATOM 0 HB3 LEU A 134 -7.952 5.149 -3.208 1.00 0.00 H new ATOM 0 HG LEU A 134 -5.888 5.503 -4.754 1.00 0.00 H new ATOM 0 HD11 LEU A 134 -4.665 7.595 -4.302 1.00 0.00 H new ATOM 0 HD12 LEU A 134 -6.211 7.900 -5.129 1.00 0.00 H new ATOM 0 HD13 LEU A 134 -6.061 8.207 -3.382 1.00 0.00 H new ATOM 0 HD21 LEU A 134 -4.421 5.669 -2.781 1.00 0.00 H new ATOM 0 HD22 LEU A 134 -5.806 6.206 -1.801 1.00 0.00 H new ATOM 0 HD23 LEU A 134 -5.788 4.567 -2.495 1.00 0.00 H new ATOM 2113 N LEU A 135 -8.003 3.928 -6.145 1.00 0.00 N ATOM 2114 CA LEU A 135 -7.359 3.042 -7.110 1.00 0.00 C ATOM 2115 C LEU A 135 -7.957 3.226 -8.501 1.00 0.00 C ATOM 2116 O LEU A 135 -7.231 3.380 -9.483 1.00 0.00 O ATOM 2117 CB LEU A 135 -7.504 1.585 -6.669 1.00 0.00 C ATOM 2118 CG LEU A 135 -6.954 1.245 -5.283 1.00 0.00 C ATOM 2119 CD1 LEU A 135 -7.115 -0.239 -4.994 1.00 0.00 C ATOM 2120 CD2 LEU A 135 -5.493 1.656 -5.174 1.00 0.00 C ATOM 0 H LEU A 135 -8.637 3.458 -5.499 1.00 0.00 H new ATOM 0 HA LEU A 135 -6.301 3.299 -7.153 1.00 0.00 H new ATOM 0 HB2 LEU A 135 -8.562 1.323 -6.692 1.00 0.00 H new ATOM 0 HB3 LEU A 135 -7.003 0.953 -7.402 1.00 0.00 H new ATOM 0 HG LEU A 135 -7.524 1.803 -4.540 1.00 0.00 H new ATOM 0 HD11 LEU A 135 -6.718 -0.462 -4.004 1.00 0.00 H new ATOM 0 HD12 LEU A 135 -8.172 -0.504 -5.030 1.00 0.00 H new ATOM 0 HD13 LEU A 135 -6.571 -0.816 -5.741 1.00 0.00 H new ATOM 0 HD21 LEU A 135 -5.118 1.407 -4.181 1.00 0.00 H new ATOM 0 HD22 LEU A 135 -4.909 1.126 -5.926 1.00 0.00 H new ATOM 0 HD23 LEU A 135 -5.404 2.730 -5.336 1.00 0.00 H new ATOM 2132 N GLN A 136 -9.284 3.210 -8.576 1.00 0.00 N ATOM 2133 CA GLN A 136 -9.979 3.377 -9.847 1.00 0.00 C ATOM 2134 C GLN A 136 -9.337 4.484 -10.677 1.00 0.00 C ATOM 2135 O GLN A 136 -9.415 4.477 -11.907 1.00 0.00 O ATOM 2136 CB GLN A 136 -11.456 3.694 -9.608 1.00 0.00 C ATOM 2137 CG GLN A 136 -11.682 4.881 -8.685 1.00 0.00 C ATOM 2138 CD GLN A 136 -13.145 5.256 -8.564 1.00 0.00 C ATOM 2139 OE1 GLN A 136 -13.972 4.448 -8.140 1.00 0.00 O ATOM 2140 NE2 GLN A 136 -13.474 6.487 -8.937 1.00 0.00 N ATOM 0 H GLN A 136 -9.899 3.083 -7.772 1.00 0.00 H new ATOM 0 HA GLN A 136 -9.901 2.441 -10.400 1.00 0.00 H new ATOM 0 HB2 GLN A 136 -11.936 3.893 -10.566 1.00 0.00 H new ATOM 0 HB3 GLN A 136 -11.943 2.816 -9.183 1.00 0.00 H new ATOM 0 HG2 GLN A 136 -11.288 4.647 -7.696 1.00 0.00 H new ATOM 0 HG3 GLN A 136 -11.121 5.738 -9.058 1.00 0.00 H new ATOM 0 HE21 GLN A 136 -12.756 7.124 -9.283 1.00 0.00 H new ATOM 0 HE22 GLN A 136 -14.444 6.796 -8.878 1.00 0.00 H new ATOM 2149 N LEU A 137 -8.704 5.434 -9.998 1.00 0.00 N ATOM 2150 CA LEU A 137 -8.049 6.549 -10.673 1.00 0.00 C ATOM 2151 C LEU A 137 -7.089 6.047 -11.747 1.00 0.00 C ATOM 2152 O LEU A 137 -7.064 6.566 -12.863 1.00 0.00 O ATOM 2153 CB LEU A 137 -7.293 7.411 -9.660 1.00 0.00 C ATOM 2154 CG LEU A 137 -8.156 8.209 -8.682 1.00 0.00 C ATOM 2155 CD1 LEU A 137 -7.292 8.836 -7.598 1.00 0.00 C ATOM 2156 CD2 LEU A 137 -8.949 9.277 -9.419 1.00 0.00 C ATOM 0 H LEU A 137 -8.630 5.455 -8.981 1.00 0.00 H new ATOM 0 HA LEU A 137 -8.818 7.154 -11.153 1.00 0.00 H new ATOM 0 HB2 LEU A 137 -6.631 6.764 -9.085 1.00 0.00 H new ATOM 0 HB3 LEU A 137 -6.660 8.109 -10.208 1.00 0.00 H new ATOM 0 HG LEU A 137 -8.860 7.526 -8.207 1.00 0.00 H new ATOM 0 HD11 LEU A 137 -7.923 9.400 -6.911 1.00 0.00 H new ATOM 0 HD12 LEU A 137 -6.770 8.052 -7.050 1.00 0.00 H new ATOM 0 HD13 LEU A 137 -6.564 9.506 -8.055 1.00 0.00 H new ATOM 0 HD21 LEU A 137 -9.557 9.835 -8.707 1.00 0.00 H new ATOM 0 HD22 LEU A 137 -8.262 9.958 -9.922 1.00 0.00 H new ATOM 0 HD23 LEU A 137 -9.597 8.805 -10.158 1.00 0.00 H new ATOM 2168 N TRP A 138 -6.302 5.034 -11.403 1.00 0.00 N ATOM 2169 CA TRP A 138 -5.341 4.461 -12.339 1.00 0.00 C ATOM 2170 C TRP A 138 -6.022 4.070 -13.646 1.00 0.00 C ATOM 2171 O TRP A 138 -5.388 4.036 -14.700 1.00 0.00 O ATOM 2172 CB TRP A 138 -4.661 3.239 -11.719 1.00 0.00 C ATOM 2173 CG TRP A 138 -3.401 3.573 -10.979 1.00 0.00 C ATOM 2174 CD1 TRP A 138 -2.127 3.526 -11.467 1.00 0.00 C ATOM 2175 CD2 TRP A 138 -3.296 4.003 -9.617 1.00 0.00 C ATOM 2176 NE1 TRP A 138 -1.235 3.900 -10.491 1.00 0.00 N ATOM 2177 CE2 TRP A 138 -1.927 4.199 -9.347 1.00 0.00 C ATOM 2178 CE3 TRP A 138 -4.224 4.244 -8.601 1.00 0.00 C ATOM 2179 CZ2 TRP A 138 -1.468 4.623 -8.103 1.00 0.00 C ATOM 2180 CZ3 TRP A 138 -3.767 4.664 -7.367 1.00 0.00 C ATOM 2181 CH2 TRP A 138 -2.399 4.851 -7.126 1.00 0.00 C ATOM 0 H TRP A 138 -6.310 4.593 -10.484 1.00 0.00 H new ATOM 0 HA TRP A 138 -4.587 5.217 -12.556 1.00 0.00 H new ATOM 0 HB2 TRP A 138 -5.357 2.752 -11.036 1.00 0.00 H new ATOM 0 HB3 TRP A 138 -4.432 2.521 -12.506 1.00 0.00 H new ATOM 0 HD1 TRP A 138 -1.859 3.237 -12.473 1.00 0.00 H new ATOM 0 HE1 TRP A 138 -0.222 3.947 -10.600 1.00 0.00 H new ATOM 0 HE3 TRP A 138 -5.280 4.104 -8.777 1.00 0.00 H new ATOM 0 HZ2 TRP A 138 -0.414 4.767 -7.915 1.00 0.00 H new ATOM 0 HZ3 TRP A 138 -4.476 4.852 -6.574 1.00 0.00 H new ATOM 0 HH2 TRP A 138 -2.073 5.181 -6.151 1.00 0.00 H new ATOM 2192 N GLU A 139 -7.316 3.776 -13.570 1.00 0.00 N ATOM 2193 CA GLU A 139 -8.082 3.387 -14.749 1.00 0.00 C ATOM 2194 C GLU A 139 -8.335 4.589 -15.654 1.00 0.00 C ATOM 2195 O GLU A 139 -8.498 4.444 -16.866 1.00 0.00 O ATOM 2196 CB GLU A 139 -9.413 2.757 -14.335 1.00 0.00 C ATOM 2197 CG GLU A 139 -9.272 1.675 -13.278 1.00 0.00 C ATOM 2198 CD GLU A 139 -10.608 1.099 -12.850 1.00 0.00 C ATOM 2199 OE1 GLU A 139 -11.513 1.003 -13.706 1.00 0.00 O ATOM 2200 OE2 GLU A 139 -10.749 0.744 -11.662 1.00 0.00 O ATOM 0 H GLU A 139 -7.856 3.800 -12.705 1.00 0.00 H new ATOM 0 HA GLU A 139 -7.498 2.653 -15.304 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -10.073 3.538 -13.957 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -9.894 2.332 -15.216 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -8.643 0.874 -13.665 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -8.763 2.087 -12.407 1.00 0.00 H new ATOM 2207 N ARG A 140 -8.367 5.776 -15.057 1.00 0.00 N ATOM 2208 CA ARG A 140 -8.603 7.003 -15.808 1.00 0.00 C ATOM 2209 C ARG A 140 -7.373 7.384 -16.626 1.00 0.00 C ATOM 2210 O ARG A 140 -7.472 8.112 -17.615 1.00 0.00 O ATOM 2211 CB ARG A 140 -8.970 8.145 -14.858 1.00 0.00 C ATOM 2212 CG ARG A 140 -10.208 7.867 -14.022 1.00 0.00 C ATOM 2213 CD ARG A 140 -10.943 9.152 -13.670 1.00 0.00 C ATOM 2214 NE ARG A 140 -10.262 9.901 -12.618 1.00 0.00 N ATOM 2215 CZ ARG A 140 -10.460 11.195 -12.391 1.00 0.00 C ATOM 2216 NH1 ARG A 140 -11.314 11.879 -13.139 1.00 0.00 N ATOM 2217 NH2 ARG A 140 -9.803 11.807 -11.414 1.00 0.00 N ATOM 0 H ARG A 140 -8.232 5.914 -14.055 1.00 0.00 H new ATOM 0 HA ARG A 140 -9.433 6.827 -16.492 1.00 0.00 H new ATOM 0 HB2 ARG A 140 -8.128 8.338 -14.193 1.00 0.00 H new ATOM 0 HB3 ARG A 140 -9.131 9.053 -15.440 1.00 0.00 H new ATOM 0 HG2 ARG A 140 -10.876 7.203 -14.570 1.00 0.00 H new ATOM 0 HG3 ARG A 140 -9.922 7.348 -13.107 1.00 0.00 H new ATOM 0 HD2 ARG A 140 -11.030 9.775 -14.560 1.00 0.00 H new ATOM 0 HD3 ARG A 140 -11.956 8.913 -13.347 1.00 0.00 H new ATOM 0 HE ARG A 140 -9.598 9.404 -12.025 1.00 0.00 H new ATOM 0 HH11 ARG A 140 -11.821 11.412 -13.891 1.00 0.00 H new ATOM 0 HH12 ARG A 140 -11.464 12.872 -12.963 1.00 0.00 H new ATOM 0 HH21 ARG A 140 -9.145 11.284 -10.836 1.00 0.00 H new ATOM 0 HH22 ARG A 140 -9.956 12.800 -11.241 1.00 0.00 H new ATOM 2231 N LEU A 141 -6.213 6.888 -16.208 1.00 0.00 N ATOM 2232 CA LEU A 141 -4.963 7.176 -16.902 1.00 0.00 C ATOM 2233 C LEU A 141 -5.009 6.670 -18.340 1.00 0.00 C ATOM 2234 O LEU A 141 -5.723 5.717 -18.651 1.00 0.00 O ATOM 2235 CB LEU A 141 -3.787 6.537 -16.162 1.00 0.00 C ATOM 2236 CG LEU A 141 -3.745 6.760 -14.649 1.00 0.00 C ATOM 2237 CD1 LEU A 141 -2.657 5.907 -14.014 1.00 0.00 C ATOM 2238 CD2 LEU A 141 -3.523 8.232 -14.333 1.00 0.00 C ATOM 0 H LEU A 141 -6.113 6.285 -15.392 1.00 0.00 H new ATOM 0 HA LEU A 141 -4.828 8.257 -16.921 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -3.805 5.464 -16.351 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -2.862 6.921 -16.592 1.00 0.00 H new ATOM 0 HG LEU A 141 -4.705 6.460 -14.230 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -2.642 6.079 -12.938 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -2.859 4.854 -14.211 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -1.690 6.176 -14.438 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -3.496 8.372 -13.252 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -2.577 8.558 -14.765 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -4.337 8.821 -14.755 1.00 0.00 H new TER 2250 LEU A 141