USER MOD reduce.3.24.130724 H: found=0, std=0, add=542, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 542 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 29 ASN : amide:sc= 0.303 K(o=1.6,f=0.8) USER MOD Set 1.2: A 50 HIS : +bothHN:sc= 1.29 K(o=1.6,f=-7.9!) USER MOD Set 2.1: A 42 SER OG : rot -101:sc= 0.902 USER MOD Set 2.2: A 45 GLN : amide:sc= -0.595 K(o=0.31,f=-1) USER MOD Set 3.1: A 10 THR OG1 : rot 180:sc= -2.12! USER MOD Set 3.2: A 13 GLN :FLIP amide:sc= -0.565 F(o=-3.4,f=-2.7) USER MOD Set 4.1: A 9 MET CE :methyl -160:sc= -0.038 (180deg=-0.415) USER MOD Set 4.2: A 17 THR OG1 : rot 65:sc= 1.21 USER MOD Single : A 1 MET CE :methyl -165:sc= -0.0427 (180deg=-0.347) USER MOD Single : A 1 MET N :NH3+ -169:sc= -0.016 (180deg=-0.181) USER MOD Single : A 2 THR OG1 : rot 180:sc= -0.187 USER MOD Single : A 3 GLN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 4 LYS NZ :NH3+ 168:sc= -0.0354 (180deg=-0.22) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.204 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0.855 (180deg=0.855) USER MOD Single : A 16 GLN : amide:sc= -0.256 X(o=-0.26,f=-0.14) USER MOD Single : A 18 HIS : no HD1:sc= -1.78 K(o=-1.8,f=-7.2!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot -170:sc= 1.43 USER MOD Single : A 32 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl -158:sc= -0.109 (180deg=-0.64) USER MOD Single : A 39 GLN :FLIP amide:sc= -0.0113 F(o=-1.4,f=-0.011) USER MOD Single : A 40 ASN : amide:sc=-0.00811 X(o=-0.0081,f=0) USER MOD Single : A 48 ASN : amide:sc= -0.0121 K(o=-0.012,f=-0.59) USER MOD Single : A 53 ASN : amide:sc= -0.406 X(o=-0.41,f=-0.7) USER MOD Single : A 62 ASN : amide:sc= 1.71 K(o=1.7,f=-5.2!) USER MOD Single : A 68 HIS : no HD1:sc= -1.8 K(o=-1.8,f=-2.6!) USER MOD Single : A 69 HIS : no HE2:sc= -0.166 K(o=-0.17,f=-1.1) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 73 HIS : no HD1:sc= -0.0162 X(o=-0.016,f=-0.37) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.391 12.455 -2.845 1.00 72.01 N ATOM 2 CA MET A 1 -15.805 12.217 -1.499 1.00 23.43 C ATOM 3 C MET A 1 -15.422 10.743 -1.328 1.00 42.23 C ATOM 4 O MET A 1 -16.247 9.917 -0.939 1.00 2.33 O ATOM 5 CB MET A 1 -16.790 12.637 -0.400 1.00 71.24 C ATOM 6 CG MET A 1 -17.268 14.076 -0.529 1.00 2.53 C ATOM 7 SD MET A 1 -15.907 15.261 -0.544 1.00 51.13 S ATOM 8 CE MET A 1 -15.215 15.007 1.090 1.00 62.42 C ATOM 0 H1 MET A 1 -16.471 13.478 -3.013 1.00 72.01 H new ATOM 0 H2 MET A 1 -15.777 12.032 -3.570 1.00 72.01 H new ATOM 0 H3 MET A 1 -17.335 12.021 -2.894 1.00 72.01 H new ATOM 0 HA MET A 1 -14.903 12.823 -1.410 1.00 23.43 H new ATOM 0 HB2 MET A 1 -17.654 11.972 -0.424 1.00 71.24 H new ATOM 0 HB3 MET A 1 -16.314 12.506 0.572 1.00 71.24 H new ATOM 0 HG2 MET A 1 -17.847 14.182 -1.446 1.00 2.53 H new ATOM 0 HG3 MET A 1 -17.938 14.308 0.299 1.00 2.53 H new ATOM 0 HE1 MET A 1 -14.548 15.834 1.335 1.00 62.42 H new ATOM 0 HE2 MET A 1 -16.020 14.960 1.823 1.00 62.42 H new ATOM 0 HE3 MET A 1 -14.655 14.072 1.107 1.00 62.42 H new ATOM 20 N THR A 2 -14.175 10.412 -1.650 1.00 44.31 N ATOM 21 CA THR A 2 -13.693 9.025 -1.572 1.00 13.54 C ATOM 22 C THR A 2 -12.166 8.977 -1.463 1.00 61.04 C ATOM 23 O THR A 2 -11.471 9.808 -2.050 1.00 4.24 O ATOM 24 CB THR A 2 -14.136 8.199 -2.813 1.00 61.41 C ATOM 25 OG1 THR A 2 -15.571 8.212 -2.932 1.00 32.13 O ATOM 26 CG2 THR A 2 -13.652 6.752 -2.737 1.00 75.41 C ATOM 0 H THR A 2 -13.475 11.082 -1.968 1.00 44.31 H new ATOM 0 HA THR A 2 -14.134 8.588 -0.676 1.00 13.54 H new ATOM 0 HB THR A 2 -13.684 8.665 -3.689 1.00 61.41 H new ATOM 0 HG1 THR A 2 -15.839 7.691 -3.717 1.00 32.13 H new ATOM 0 HG21 THR A 2 -13.983 6.211 -3.623 1.00 75.41 H new ATOM 0 HG22 THR A 2 -12.563 6.735 -2.687 1.00 75.41 H new ATOM 0 HG23 THR A 2 -14.064 6.277 -1.847 1.00 75.41 H new ATOM 34 N GLN A 3 -11.649 8.012 -0.705 1.00 33.54 N ATOM 35 CA GLN A 3 -10.198 7.830 -0.565 1.00 5.22 C ATOM 36 C GLN A 3 -9.558 7.480 -1.921 1.00 13.10 C ATOM 37 O GLN A 3 -9.827 6.419 -2.485 1.00 22.41 O ATOM 38 CB GLN A 3 -9.893 6.723 0.458 1.00 12.41 C ATOM 39 CG GLN A 3 -10.413 7.013 1.865 1.00 60.24 C ATOM 40 CD GLN A 3 -10.136 5.887 2.854 1.00 64.35 C ATOM 41 OE1 GLN A 3 -10.107 4.658 2.374 1.00 13.03 O flip ATOM 42 NE2 GLN A 3 -9.964 6.116 4.048 1.00 72.00 N flip ATOM 0 H GLN A 3 -12.209 7.343 -0.177 1.00 33.54 H new ATOM 0 HA GLN A 3 -9.772 8.769 -0.211 1.00 5.22 H new ATOM 0 HB2 GLN A 3 -10.330 5.788 0.107 1.00 12.41 H new ATOM 0 HB3 GLN A 3 -8.814 6.573 0.505 1.00 12.41 H new ATOM 0 HG2 GLN A 3 -9.954 7.931 2.232 1.00 60.24 H new ATOM 0 HG3 GLN A 3 -11.487 7.190 1.818 1.00 60.24 H new ATOM 0 HE21 GLN A 3 -9.992 7.076 4.392 1.00 72.00 H new ATOM 0 HE22 GLN A 3 -9.794 5.347 4.695 1.00 72.00 H new ATOM 51 N LYS A 4 -8.720 8.381 -2.443 1.00 22.32 N ATOM 52 CA LYS A 4 -8.028 8.148 -3.718 1.00 44.11 C ATOM 53 C LYS A 4 -7.194 6.863 -3.659 1.00 45.13 C ATOM 54 O LYS A 4 -7.197 6.056 -4.592 1.00 61.20 O ATOM 55 CB LYS A 4 -7.126 9.339 -4.075 1.00 34.14 C ATOM 56 CG LYS A 4 -7.872 10.664 -4.216 1.00 51.23 C ATOM 57 CD LYS A 4 -6.954 11.780 -4.714 1.00 3.31 C ATOM 58 CE LYS A 4 -6.427 11.502 -6.118 1.00 12.35 C ATOM 59 NZ LYS A 4 -7.523 11.351 -7.115 1.00 40.01 N ATOM 0 H LYS A 4 -8.504 9.276 -2.005 1.00 22.32 H new ATOM 0 HA LYS A 4 -8.787 8.038 -4.493 1.00 44.11 H new ATOM 0 HB2 LYS A 4 -6.361 9.445 -3.306 1.00 34.14 H new ATOM 0 HB3 LYS A 4 -6.610 9.123 -5.011 1.00 34.14 H new ATOM 0 HG2 LYS A 4 -8.704 10.541 -4.909 1.00 51.23 H new ATOM 0 HG3 LYS A 4 -8.298 10.946 -3.253 1.00 51.23 H new ATOM 0 HD2 LYS A 4 -7.497 12.725 -4.711 1.00 3.31 H new ATOM 0 HD3 LYS A 4 -6.115 11.893 -4.027 1.00 3.31 H new ATOM 0 HE2 LYS A 4 -5.770 12.316 -6.425 1.00 12.35 H new ATOM 0 HE3 LYS A 4 -5.824 10.594 -6.104 1.00 12.35 H new ATOM 0 HZ1 LYS A 4 -7.124 11.367 -8.075 1.00 40.01 H new ATOM 0 HZ2 LYS A 4 -8.012 10.447 -6.959 1.00 40.01 H new ATOM 0 HZ3 LYS A 4 -8.200 12.134 -7.008 1.00 40.01 H new ATOM 73 N PHE A 5 -6.476 6.691 -2.557 1.00 55.24 N ATOM 74 CA PHE A 5 -5.746 5.456 -2.291 1.00 72.02 C ATOM 75 C PHE A 5 -6.628 4.513 -1.466 1.00 12.32 C ATOM 76 O PHE A 5 -6.678 4.600 -0.238 1.00 15.44 O ATOM 77 CB PHE A 5 -4.436 5.755 -1.549 1.00 55.15 C ATOM 78 CG PHE A 5 -3.475 6.616 -2.333 1.00 52.34 C ATOM 79 CD1 PHE A 5 -3.658 7.992 -2.416 1.00 33.43 C ATOM 80 CD2 PHE A 5 -2.386 6.052 -2.982 1.00 0.13 C ATOM 81 CE1 PHE A 5 -2.776 8.780 -3.130 1.00 34.22 C ATOM 82 CE2 PHE A 5 -1.504 6.839 -3.695 1.00 24.11 C ATOM 83 CZ PHE A 5 -1.700 8.204 -3.769 1.00 54.44 C ATOM 0 H PHE A 5 -6.383 7.397 -1.827 1.00 55.24 H new ATOM 0 HA PHE A 5 -5.495 4.976 -3.237 1.00 72.02 H new ATOM 0 HB2 PHE A 5 -4.668 6.251 -0.607 1.00 55.15 H new ATOM 0 HB3 PHE A 5 -3.946 4.813 -1.301 1.00 55.15 H new ATOM 0 HD1 PHE A 5 -4.499 8.450 -1.917 1.00 33.43 H new ATOM 0 HD2 PHE A 5 -2.227 4.985 -2.929 1.00 0.13 H new ATOM 0 HE1 PHE A 5 -2.930 9.847 -3.187 1.00 34.22 H new ATOM 0 HE2 PHE A 5 -0.660 6.387 -4.195 1.00 24.11 H new ATOM 0 HZ PHE A 5 -1.010 8.819 -4.327 1.00 54.44 H new ATOM 93 N THR A 6 -7.357 3.646 -2.156 1.00 72.30 N ATOM 94 CA THR A 6 -8.317 2.745 -1.505 1.00 70.22 C ATOM 95 C THR A 6 -7.712 1.372 -1.217 1.00 64.32 C ATOM 96 O THR A 6 -6.702 0.986 -1.795 1.00 72.52 O ATOM 97 CB THR A 6 -9.594 2.553 -2.362 1.00 42.33 C ATOM 98 OG1 THR A 6 -10.447 1.559 -1.768 1.00 12.44 O ATOM 99 CG2 THR A 6 -9.251 2.138 -3.789 1.00 55.20 C ATOM 0 H THR A 6 -7.306 3.543 -3.169 1.00 72.30 H new ATOM 0 HA THR A 6 -8.581 3.223 -0.561 1.00 70.22 H new ATOM 0 HB THR A 6 -10.114 3.510 -2.397 1.00 42.33 H new ATOM 0 HG1 THR A 6 -11.251 1.448 -2.317 1.00 12.44 H new ATOM 0 HG21 THR A 6 -10.170 2.012 -4.362 1.00 55.20 H new ATOM 0 HG22 THR A 6 -8.636 2.908 -4.254 1.00 55.20 H new ATOM 0 HG23 THR A 6 -8.702 1.197 -3.772 1.00 55.20 H new ATOM 107 N LYS A 7 -8.353 0.629 -0.324 1.00 3.43 N ATOM 108 CA LYS A 7 -7.910 -0.723 0.026 1.00 61.21 C ATOM 109 C LYS A 7 -8.133 -1.703 -1.136 1.00 33.55 C ATOM 110 O LYS A 7 -7.542 -2.785 -1.173 1.00 22.31 O ATOM 111 CB LYS A 7 -8.660 -1.206 1.270 1.00 50.44 C ATOM 112 CG LYS A 7 -10.177 -1.197 1.114 1.00 50.15 C ATOM 113 CD LYS A 7 -10.880 -1.618 2.398 1.00 23.24 C ATOM 114 CE LYS A 7 -10.493 -0.726 3.572 1.00 64.32 C ATOM 115 NZ LYS A 7 -11.204 -1.098 4.823 1.00 34.31 N ATOM 0 H LYS A 7 -9.187 0.938 0.176 1.00 3.43 H new ATOM 0 HA LYS A 7 -6.841 -0.688 0.234 1.00 61.21 H new ATOM 0 HB2 LYS A 7 -8.334 -2.218 1.509 1.00 50.44 H new ATOM 0 HB3 LYS A 7 -8.387 -0.575 2.116 1.00 50.44 H new ATOM 0 HG2 LYS A 7 -10.507 -0.198 0.830 1.00 50.15 H new ATOM 0 HG3 LYS A 7 -10.463 -1.870 0.305 1.00 50.15 H new ATOM 0 HD2 LYS A 7 -11.959 -1.579 2.251 1.00 23.24 H new ATOM 0 HD3 LYS A 7 -10.627 -2.653 2.629 1.00 23.24 H new ATOM 0 HE2 LYS A 7 -9.417 -0.791 3.735 1.00 64.32 H new ATOM 0 HE3 LYS A 7 -10.716 0.312 3.325 1.00 64.32 H new ATOM 0 HZ1 LYS A 7 -10.908 -0.464 5.592 1.00 34.31 H new ATOM 0 HZ2 LYS A 7 -12.230 -1.011 4.678 1.00 34.31 H new ATOM 0 HZ3 LYS A 7 -10.972 -2.080 5.075 1.00 34.31 H new ATOM 129 N ASP A 8 -8.993 -1.308 -2.073 1.00 34.11 N ATOM 130 CA ASP A 8 -9.322 -2.127 -3.243 1.00 71.10 C ATOM 131 C ASP A 8 -8.171 -2.164 -4.266 1.00 55.44 C ATOM 132 O ASP A 8 -7.915 -3.197 -4.884 1.00 30.23 O ATOM 133 CB ASP A 8 -10.592 -1.580 -3.900 1.00 52.12 C ATOM 134 CG ASP A 8 -10.939 -2.293 -5.196 1.00 41.13 C ATOM 135 OD1 ASP A 8 -11.552 -3.381 -5.135 1.00 74.33 O ATOM 136 OD2 ASP A 8 -10.598 -1.769 -6.280 1.00 2.42 O ATOM 0 H ASP A 8 -9.482 -0.413 -2.045 1.00 34.11 H new ATOM 0 HA ASP A 8 -9.485 -3.150 -2.905 1.00 71.10 H new ATOM 0 HB2 ASP A 8 -11.425 -1.675 -3.204 1.00 52.12 H new ATOM 0 HB3 ASP A 8 -10.463 -0.516 -4.099 1.00 52.12 H new ATOM 141 N MET A 9 -7.482 -1.036 -4.442 1.00 31.24 N ATOM 142 CA MET A 9 -6.419 -0.936 -5.447 1.00 62.33 C ATOM 143 C MET A 9 -5.182 -1.752 -5.041 1.00 24.00 C ATOM 144 O MET A 9 -4.899 -1.931 -3.854 1.00 50.01 O ATOM 145 CB MET A 9 -6.045 0.536 -5.683 1.00 43.12 C ATOM 146 CG MET A 9 -5.392 1.219 -4.490 1.00 30.14 C ATOM 147 SD MET A 9 -5.323 3.016 -4.665 1.00 1.33 S ATOM 148 CE MET A 9 -4.415 3.189 -6.199 1.00 75.34 C ATOM 0 H MET A 9 -7.638 -0.182 -3.906 1.00 31.24 H new ATOM 0 HA MET A 9 -6.798 -1.356 -6.379 1.00 62.33 H new ATOM 0 HB2 MET A 9 -5.367 0.594 -6.535 1.00 43.12 H new ATOM 0 HB3 MET A 9 -6.945 1.088 -5.954 1.00 43.12 H new ATOM 0 HG2 MET A 9 -5.945 0.967 -3.585 1.00 30.14 H new ATOM 0 HG3 MET A 9 -4.381 0.832 -4.364 1.00 30.14 H new ATOM 0 HE1 MET A 9 -3.990 4.191 -6.259 1.00 75.34 H new ATOM 0 HE2 MET A 9 -3.613 2.452 -6.232 1.00 75.34 H new ATOM 0 HE3 MET A 9 -5.089 3.030 -7.041 1.00 75.34 H new ATOM 158 N THR A 10 -4.461 -2.257 -6.035 1.00 13.53 N ATOM 159 CA THR A 10 -3.271 -3.080 -5.793 1.00 70.12 C ATOM 160 C THR A 10 -2.037 -2.228 -5.476 1.00 74.10 C ATOM 161 O THR A 10 -2.025 -1.015 -5.705 1.00 74.34 O ATOM 162 CB THR A 10 -2.942 -3.973 -7.012 1.00 32.32 C ATOM 163 OG1 THR A 10 -2.474 -3.167 -8.106 1.00 53.32 O ATOM 164 CG2 THR A 10 -4.167 -4.767 -7.452 1.00 1.21 C ATOM 0 H THR A 10 -4.677 -2.113 -7.021 1.00 13.53 H new ATOM 0 HA THR A 10 -3.510 -3.703 -4.931 1.00 70.12 H new ATOM 0 HB THR A 10 -2.160 -4.672 -6.716 1.00 32.32 H new ATOM 0 HG1 THR A 10 -2.267 -3.743 -8.872 1.00 53.32 H new ATOM 0 HG21 THR A 10 -3.910 -5.387 -8.311 1.00 1.21 H new ATOM 0 HG22 THR A 10 -4.502 -5.403 -6.633 1.00 1.21 H new ATOM 0 HG23 THR A 10 -4.967 -4.079 -7.728 1.00 1.21 H new ATOM 172 N PHE A 11 -0.995 -2.874 -4.952 1.00 33.43 N ATOM 173 CA PHE A 11 0.280 -2.198 -4.680 1.00 60.34 C ATOM 174 C PHE A 11 0.839 -1.542 -5.952 1.00 35.23 C ATOM 175 O PHE A 11 1.312 -0.405 -5.920 1.00 24.53 O ATOM 176 CB PHE A 11 1.303 -3.190 -4.107 1.00 53.23 C ATOM 177 CG PHE A 11 0.917 -3.748 -2.759 1.00 53.44 C ATOM 178 CD1 PHE A 11 1.292 -3.096 -1.595 1.00 53.24 C ATOM 179 CD2 PHE A 11 0.183 -4.922 -2.656 1.00 61.31 C ATOM 180 CE1 PHE A 11 0.941 -3.599 -0.359 1.00 11.34 C ATOM 181 CE2 PHE A 11 -0.169 -5.431 -1.422 1.00 22.14 C ATOM 182 CZ PHE A 11 0.212 -4.769 -0.270 1.00 20.53 C ATOM 0 H PHE A 11 -1.006 -3.864 -4.707 1.00 33.43 H new ATOM 0 HA PHE A 11 0.094 -1.416 -3.943 1.00 60.34 H new ATOM 0 HB2 PHE A 11 1.429 -4.014 -4.809 1.00 53.23 H new ATOM 0 HB3 PHE A 11 2.269 -2.693 -4.022 1.00 53.23 H new ATOM 0 HD1 PHE A 11 1.866 -2.183 -1.656 1.00 53.24 H new ATOM 0 HD2 PHE A 11 -0.116 -5.444 -3.553 1.00 61.31 H new ATOM 0 HE1 PHE A 11 1.236 -3.078 0.539 1.00 11.34 H new ATOM 0 HE2 PHE A 11 -0.741 -6.345 -1.357 1.00 22.14 H new ATOM 0 HZ PHE A 11 -0.060 -5.165 0.697 1.00 20.53 H new ATOM 192 N ALA A 12 0.761 -2.262 -7.072 1.00 23.44 N ATOM 193 CA ALA A 12 1.213 -1.738 -8.364 1.00 41.40 C ATOM 194 C ALA A 12 0.462 -0.453 -8.743 1.00 71.12 C ATOM 195 O ALA A 12 1.071 0.535 -9.157 1.00 14.40 O ATOM 196 CB ALA A 12 1.046 -2.794 -9.453 1.00 61.03 C ATOM 0 H ALA A 12 0.389 -3.211 -7.112 1.00 23.44 H new ATOM 0 HA ALA A 12 2.270 -1.490 -8.272 1.00 41.40 H new ATOM 0 HB1 ALA A 12 1.386 -2.390 -10.407 1.00 61.03 H new ATOM 0 HB2 ALA A 12 1.637 -3.674 -9.200 1.00 61.03 H new ATOM 0 HB3 ALA A 12 -0.005 -3.073 -9.531 1.00 61.03 H new ATOM 202 N GLN A 13 -0.863 -0.470 -8.588 1.00 31.10 N ATOM 203 CA GLN A 13 -1.687 0.717 -8.856 1.00 15.40 C ATOM 204 C GLN A 13 -1.249 1.898 -7.975 1.00 71.01 C ATOM 205 O GLN A 13 -1.067 3.017 -8.458 1.00 51.21 O ATOM 206 CB GLN A 13 -3.174 0.417 -8.614 1.00 71.24 C ATOM 207 CG GLN A 13 -3.731 -0.718 -9.463 1.00 4.12 C ATOM 208 CD GLN A 13 -5.209 -0.981 -9.207 1.00 34.51 C ATOM 209 OE1 GLN A 13 -5.975 0.065 -8.950 1.00 15.21 O flip ATOM 210 NE2 GLN A 13 -5.666 -2.117 -9.259 1.00 24.51 N flip ATOM 0 H GLN A 13 -1.390 -1.287 -8.280 1.00 31.10 H new ATOM 0 HA GLN A 13 -1.547 0.986 -9.903 1.00 15.40 H new ATOM 0 HB2 GLN A 13 -3.316 0.171 -7.562 1.00 71.24 H new ATOM 0 HB3 GLN A 13 -3.752 1.320 -8.812 1.00 71.24 H new ATOM 0 HG2 GLN A 13 -3.587 -0.481 -10.517 1.00 4.12 H new ATOM 0 HG3 GLN A 13 -3.165 -1.627 -9.261 1.00 4.12 H new ATOM 0 HE21 GLN A 13 -5.051 -2.906 -9.459 1.00 24.51 H new ATOM 0 HE22 GLN A 13 -6.662 -2.274 -9.102 1.00 24.51 H new ATOM 219 N ALA A 14 -1.070 1.636 -6.681 1.00 22.13 N ATOM 220 CA ALA A 14 -0.639 2.666 -5.728 1.00 50.32 C ATOM 221 C ALA A 14 0.708 3.288 -6.135 1.00 32.21 C ATOM 222 O ALA A 14 0.844 4.514 -6.202 1.00 51.14 O ATOM 223 CB ALA A 14 -0.557 2.073 -4.324 1.00 71.51 C ATOM 0 H ALA A 14 -1.217 0.717 -6.264 1.00 22.13 H new ATOM 0 HA ALA A 14 -1.380 3.465 -5.735 1.00 50.32 H new ATOM 0 HB1 ALA A 14 -0.237 2.843 -3.622 1.00 71.51 H new ATOM 0 HB2 ALA A 14 -1.537 1.699 -4.029 1.00 71.51 H new ATOM 0 HB3 ALA A 14 0.162 1.253 -4.317 1.00 71.51 H new ATOM 229 N LEU A 15 1.692 2.435 -6.420 1.00 73.41 N ATOM 230 CA LEU A 15 3.026 2.885 -6.844 1.00 70.31 C ATOM 231 C LEU A 15 2.960 3.785 -8.090 1.00 52.23 C ATOM 232 O LEU A 15 3.704 4.760 -8.205 1.00 21.53 O ATOM 233 CB LEU A 15 3.931 1.672 -7.121 1.00 2.01 C ATOM 234 CG LEU A 15 4.257 0.796 -5.897 1.00 63.53 C ATOM 235 CD1 LEU A 15 5.078 -0.426 -6.307 1.00 52.41 C ATOM 236 CD2 LEU A 15 4.996 1.608 -4.833 1.00 43.21 C ATOM 0 H LEU A 15 1.593 1.421 -6.366 1.00 73.41 H new ATOM 0 HA LEU A 15 3.446 3.476 -6.030 1.00 70.31 H new ATOM 0 HB2 LEU A 15 3.452 1.048 -7.876 1.00 2.01 H new ATOM 0 HB3 LEU A 15 4.867 2.029 -7.550 1.00 2.01 H new ATOM 0 HG LEU A 15 3.317 0.447 -5.470 1.00 63.53 H new ATOM 0 HD11 LEU A 15 5.296 -1.030 -5.426 1.00 52.41 H new ATOM 0 HD12 LEU A 15 4.512 -1.021 -7.024 1.00 52.41 H new ATOM 0 HD13 LEU A 15 6.012 -0.100 -6.764 1.00 52.41 H new ATOM 0 HD21 LEU A 15 5.217 0.970 -3.977 1.00 43.21 H new ATOM 0 HD22 LEU A 15 5.927 1.991 -5.250 1.00 43.21 H new ATOM 0 HD23 LEU A 15 4.371 2.442 -4.513 1.00 43.21 H new ATOM 248 N GLN A 16 2.065 3.452 -9.018 1.00 41.32 N ATOM 249 CA GLN A 16 1.875 4.252 -10.235 1.00 4.14 C ATOM 250 C GLN A 16 1.095 5.547 -9.953 1.00 45.35 C ATOM 251 O GLN A 16 1.274 6.551 -10.647 1.00 14.50 O ATOM 252 CB GLN A 16 1.146 3.431 -11.307 1.00 11.31 C ATOM 253 CG GLN A 16 1.934 2.223 -11.804 1.00 14.42 C ATOM 254 CD GLN A 16 3.267 2.608 -12.423 1.00 4.44 C ATOM 255 OE1 GLN A 16 3.361 2.871 -13.619 1.00 21.22 O ATOM 256 NE2 GLN A 16 4.311 2.634 -11.622 1.00 32.11 N ATOM 0 H GLN A 16 1.458 2.635 -8.954 1.00 41.32 H new ATOM 0 HA GLN A 16 2.865 4.528 -10.599 1.00 4.14 H new ATOM 0 HB2 GLN A 16 0.193 3.089 -10.903 1.00 11.31 H new ATOM 0 HB3 GLN A 16 0.919 4.078 -12.154 1.00 11.31 H new ATOM 0 HG2 GLN A 16 2.108 1.540 -10.972 1.00 14.42 H new ATOM 0 HG3 GLN A 16 1.338 1.683 -12.540 1.00 14.42 H new ATOM 0 HE21 GLN A 16 4.201 2.411 -10.633 1.00 32.11 H new ATOM 0 HE22 GLN A 16 5.230 2.878 -11.990 1.00 32.11 H new ATOM 265 N THR A 17 0.233 5.520 -8.935 1.00 14.42 N ATOM 266 CA THR A 17 -0.581 6.692 -8.575 1.00 1.13 C ATOM 267 C THR A 17 0.282 7.835 -8.017 1.00 34.43 C ATOM 268 O THR A 17 0.073 8.999 -8.362 1.00 1.20 O ATOM 269 CB THR A 17 -1.687 6.337 -7.543 1.00 75.35 C ATOM 270 OG1 THR A 17 -2.556 5.326 -8.080 1.00 63.25 O ATOM 271 CG2 THR A 17 -2.521 7.565 -7.172 1.00 34.14 C ATOM 0 H THR A 17 0.078 4.703 -8.344 1.00 14.42 H new ATOM 0 HA THR A 17 -1.056 7.024 -9.498 1.00 1.13 H new ATOM 0 HB THR A 17 -1.192 5.967 -6.645 1.00 75.35 H new ATOM 0 HG1 THR A 17 -2.052 4.496 -8.208 1.00 63.25 H new ATOM 0 HG21 THR A 17 -3.285 7.281 -6.448 1.00 34.14 H new ATOM 0 HG22 THR A 17 -1.874 8.326 -6.736 1.00 34.14 H new ATOM 0 HG23 THR A 17 -2.999 7.964 -8.067 1.00 34.14 H new ATOM 279 N HIS A 18 1.241 7.503 -7.149 1.00 35.22 N ATOM 280 CA HIS A 18 2.152 8.504 -6.561 1.00 62.44 C ATOM 281 C HIS A 18 3.538 7.905 -6.252 1.00 3.01 C ATOM 282 O HIS A 18 3.646 6.760 -5.815 1.00 3.43 O ATOM 283 CB HIS A 18 1.540 9.109 -5.281 1.00 60.13 C ATOM 284 CG HIS A 18 0.708 10.335 -5.521 1.00 64.12 C ATOM 285 ND1 HIS A 18 -0.532 10.309 -6.121 1.00 32.31 N ATOM 286 CD2 HIS A 18 0.947 11.638 -5.232 1.00 23.41 C ATOM 287 CE1 HIS A 18 -1.013 11.534 -6.190 1.00 10.33 C ATOM 288 NE2 HIS A 18 -0.140 12.358 -5.660 1.00 44.10 N ATOM 0 H HIS A 18 1.412 6.548 -6.834 1.00 35.22 H new ATOM 0 HA HIS A 18 2.286 9.294 -7.300 1.00 62.44 H new ATOM 0 HB2 HIS A 18 0.923 8.354 -4.794 1.00 60.13 H new ATOM 0 HB3 HIS A 18 2.344 9.358 -4.589 1.00 60.13 H new ATOM 0 HD2 HIS A 18 1.830 12.036 -4.753 1.00 23.41 H new ATOM 0 HE1 HIS A 18 -1.967 11.813 -6.612 1.00 10.33 H new ATOM 0 HE2 HIS A 18 -0.251 13.369 -5.579 1.00 44.10 H new ATOM 297 N PRO A 19 4.617 8.690 -6.450 1.00 31.31 N ATOM 298 CA PRO A 19 6.000 8.221 -6.221 1.00 32.31 C ATOM 299 C PRO A 19 6.355 8.055 -4.730 1.00 64.44 C ATOM 300 O PRO A 19 7.276 7.308 -4.378 1.00 33.45 O ATOM 301 CB PRO A 19 6.850 9.330 -6.857 1.00 41.32 C ATOM 302 CG PRO A 19 6.007 10.557 -6.750 1.00 52.34 C ATOM 303 CD PRO A 19 4.583 10.093 -6.922 1.00 42.53 C ATOM 0 HA PRO A 19 6.161 7.230 -6.644 1.00 32.31 H new ATOM 0 HB2 PRO A 19 7.798 9.453 -6.333 1.00 41.32 H new ATOM 0 HB3 PRO A 19 7.087 9.101 -7.896 1.00 41.32 H new ATOM 0 HG2 PRO A 19 6.146 11.044 -5.785 1.00 52.34 H new ATOM 0 HG3 PRO A 19 6.276 11.285 -7.516 1.00 52.34 H new ATOM 0 HD2 PRO A 19 3.891 10.697 -6.336 1.00 42.53 H new ATOM 0 HD3 PRO A 19 4.262 10.159 -7.962 1.00 42.53 H new ATOM 311 N GLY A 20 5.629 8.752 -3.856 1.00 50.31 N ATOM 312 CA GLY A 20 5.875 8.655 -2.418 1.00 34.44 C ATOM 313 C GLY A 20 5.372 7.352 -1.797 1.00 30.13 C ATOM 314 O GLY A 20 5.760 6.998 -0.684 1.00 52.21 O ATOM 0 H GLY A 20 4.872 9.385 -4.116 1.00 50.31 H new ATOM 0 HA2 GLY A 20 6.946 8.746 -2.234 1.00 34.44 H new ATOM 0 HA3 GLY A 20 5.393 9.495 -1.918 1.00 34.44 H new ATOM 318 N VAL A 21 4.519 6.632 -2.528 1.00 65.20 N ATOM 319 CA VAL A 21 3.919 5.386 -2.029 1.00 23.20 C ATOM 320 C VAL A 21 4.985 4.347 -1.646 1.00 44.31 C ATOM 321 O VAL A 21 4.840 3.635 -0.652 1.00 74.44 O ATOM 322 CB VAL A 21 2.949 4.772 -3.072 1.00 53.13 C ATOM 323 CG1 VAL A 21 2.369 3.448 -2.575 1.00 22.11 C ATOM 324 CG2 VAL A 21 1.835 5.759 -3.410 1.00 23.12 C ATOM 0 H VAL A 21 4.225 6.889 -3.471 1.00 65.20 H new ATOM 0 HA VAL A 21 3.359 5.650 -1.132 1.00 23.20 H new ATOM 0 HB VAL A 21 3.515 4.566 -3.980 1.00 53.13 H new ATOM 0 HG11 VAL A 21 1.693 3.042 -3.327 1.00 22.11 H new ATOM 0 HG12 VAL A 21 3.179 2.741 -2.395 1.00 22.11 H new ATOM 0 HG13 VAL A 21 1.821 3.616 -1.648 1.00 22.11 H new ATOM 0 HG21 VAL A 21 1.163 5.312 -4.143 1.00 23.12 H new ATOM 0 HG22 VAL A 21 1.276 6.001 -2.506 1.00 23.12 H new ATOM 0 HG23 VAL A 21 2.269 6.670 -3.823 1.00 23.12 H new ATOM 334 N ALA A 22 6.059 4.274 -2.435 1.00 12.51 N ATOM 335 CA ALA A 22 7.177 3.364 -2.155 1.00 3.23 C ATOM 336 C ALA A 22 7.696 3.524 -0.715 1.00 44.43 C ATOM 337 O ALA A 22 7.886 2.537 0.005 1.00 11.30 O ATOM 338 CB ALA A 22 8.307 3.597 -3.155 1.00 13.40 C ATOM 0 H ALA A 22 6.180 4.836 -3.277 1.00 12.51 H new ATOM 0 HA ALA A 22 6.809 2.343 -2.260 1.00 3.23 H new ATOM 0 HB1 ALA A 22 9.131 2.917 -2.938 1.00 13.40 H new ATOM 0 HB2 ALA A 22 7.942 3.414 -4.166 1.00 13.40 H new ATOM 0 HB3 ALA A 22 8.656 4.627 -3.076 1.00 13.40 H new ATOM 344 N GLY A 23 7.907 4.772 -0.300 1.00 41.14 N ATOM 345 CA GLY A 23 8.360 5.049 1.059 1.00 23.12 C ATOM 346 C GLY A 23 7.352 4.612 2.120 1.00 43.34 C ATOM 347 O GLY A 23 7.727 4.035 3.143 1.00 63.03 O ATOM 0 H GLY A 23 7.773 5.600 -0.881 1.00 41.14 H new ATOM 0 HA2 GLY A 23 9.307 4.538 1.232 1.00 23.12 H new ATOM 0 HA3 GLY A 23 8.550 6.117 1.163 1.00 23.12 H new ATOM 351 N VAL A 24 6.069 4.875 1.866 1.00 14.45 N ATOM 352 CA VAL A 24 4.994 4.495 2.792 1.00 63.50 C ATOM 353 C VAL A 24 4.923 2.969 2.977 1.00 44.25 C ATOM 354 O VAL A 24 4.913 2.468 4.103 1.00 35.20 O ATOM 355 CB VAL A 24 3.617 5.008 2.300 1.00 51.32 C ATOM 356 CG1 VAL A 24 2.521 4.695 3.322 1.00 75.52 C ATOM 357 CG2 VAL A 24 3.675 6.505 1.994 1.00 34.30 C ATOM 0 H VAL A 24 5.745 5.351 1.024 1.00 14.45 H new ATOM 0 HA VAL A 24 5.229 4.960 3.750 1.00 63.50 H new ATOM 0 HB VAL A 24 3.369 4.486 1.376 1.00 51.32 H new ATOM 0 HG11 VAL A 24 1.564 5.065 2.954 1.00 75.52 H new ATOM 0 HG12 VAL A 24 2.460 3.617 3.472 1.00 75.52 H new ATOM 0 HG13 VAL A 24 2.757 5.180 4.269 1.00 75.52 H new ATOM 0 HG21 VAL A 24 2.698 6.844 1.650 1.00 34.30 H new ATOM 0 HG22 VAL A 24 3.952 7.050 2.896 1.00 34.30 H new ATOM 0 HG23 VAL A 24 4.417 6.689 1.217 1.00 34.30 H new ATOM 367 N LEU A 25 4.882 2.237 1.862 1.00 13.01 N ATOM 368 CA LEU A 25 4.826 0.770 1.897 1.00 4.35 C ATOM 369 C LEU A 25 6.008 0.184 2.684 1.00 34.32 C ATOM 370 O LEU A 25 5.830 -0.687 3.537 1.00 54.52 O ATOM 371 CB LEU A 25 4.806 0.195 0.471 1.00 2.41 C ATOM 372 CG LEU A 25 3.607 0.622 -0.397 1.00 33.52 C ATOM 373 CD1 LEU A 25 3.688 -0.019 -1.780 1.00 73.13 C ATOM 374 CD2 LEU A 25 2.285 0.266 0.282 1.00 13.40 C ATOM 0 H LEU A 25 4.886 2.634 0.922 1.00 13.01 H new ATOM 0 HA LEU A 25 3.904 0.487 2.406 1.00 4.35 H new ATOM 0 HB2 LEU A 25 5.724 0.493 -0.036 1.00 2.41 H new ATOM 0 HB3 LEU A 25 4.817 -0.893 0.536 1.00 2.41 H new ATOM 0 HG LEU A 25 3.646 1.705 -0.515 1.00 33.52 H new ATOM 0 HD11 LEU A 25 2.832 0.295 -2.377 1.00 73.13 H new ATOM 0 HD12 LEU A 25 4.609 0.294 -2.273 1.00 73.13 H new ATOM 0 HD13 LEU A 25 3.681 -1.104 -1.679 1.00 73.13 H new ATOM 0 HD21 LEU A 25 1.455 0.578 -0.352 1.00 13.40 H new ATOM 0 HD22 LEU A 25 2.236 -0.811 0.440 1.00 13.40 H new ATOM 0 HD23 LEU A 25 2.220 0.777 1.243 1.00 13.40 H new ATOM 386 N ARG A 26 7.216 0.670 2.400 1.00 31.45 N ATOM 387 CA ARG A 26 8.411 0.233 3.130 1.00 3.13 C ATOM 388 C ARG A 26 8.310 0.580 4.624 1.00 53.01 C ATOM 389 O ARG A 26 8.632 -0.239 5.486 1.00 35.05 O ATOM 390 CB ARG A 26 9.671 0.865 2.525 1.00 20.31 C ATOM 391 CG ARG A 26 9.936 0.446 1.083 1.00 51.35 C ATOM 392 CD ARG A 26 11.212 1.076 0.531 1.00 30.53 C ATOM 393 NE ARG A 26 12.402 0.669 1.277 1.00 54.40 N ATOM 394 CZ ARG A 26 13.524 0.300 0.722 1.00 71.12 C ATOM 395 NH1 ARG A 26 13.646 0.282 -0.568 1.00 43.51 N ATOM 396 NH2 ARG A 26 14.532 -0.039 1.458 1.00 1.35 N ATOM 0 H ARG A 26 7.395 1.363 1.674 1.00 31.45 H new ATOM 0 HA ARG A 26 8.479 -0.851 3.037 1.00 3.13 H new ATOM 0 HB2 ARG A 26 9.578 1.950 2.567 1.00 20.31 H new ATOM 0 HB3 ARG A 26 10.532 0.594 3.137 1.00 20.31 H new ATOM 0 HG2 ARG A 26 10.015 -0.640 1.029 1.00 51.35 H new ATOM 0 HG3 ARG A 26 9.090 0.735 0.460 1.00 51.35 H new ATOM 0 HD2 ARG A 26 11.329 0.796 -0.516 1.00 30.53 H new ATOM 0 HD3 ARG A 26 11.121 2.162 0.562 1.00 30.53 H new ATOM 0 HE ARG A 26 12.352 0.674 2.296 1.00 54.40 H new ATOM 0 HH11 ARG A 26 12.861 0.558 -1.158 1.00 43.51 H new ATOM 0 HH12 ARG A 26 14.527 -0.008 -0.993 1.00 43.51 H new ATOM 0 HH21 ARG A 26 14.451 -0.018 2.475 1.00 1.35 H new ATOM 0 HH22 ARG A 26 15.408 -0.327 1.022 1.00 1.35 H new ATOM 410 N SER A 27 7.842 1.792 4.920 1.00 71.31 N ATOM 411 CA SER A 27 7.636 2.236 6.308 1.00 60.31 C ATOM 412 C SER A 27 6.658 1.320 7.056 1.00 73.13 C ATOM 413 O SER A 27 6.790 1.095 8.258 1.00 72.20 O ATOM 414 CB SER A 27 7.107 3.676 6.330 1.00 11.03 C ATOM 415 OG SER A 27 6.856 4.120 7.655 1.00 42.32 O ATOM 0 H SER A 27 7.596 2.490 4.218 1.00 71.31 H new ATOM 0 HA SER A 27 8.601 2.190 6.814 1.00 60.31 H new ATOM 0 HB2 SER A 27 7.831 4.338 5.855 1.00 11.03 H new ATOM 0 HB3 SER A 27 6.189 3.736 5.745 1.00 11.03 H new ATOM 0 HG SER A 27 6.522 5.041 7.634 1.00 42.32 H new ATOM 421 N TYR A 28 5.677 0.791 6.329 1.00 11.15 N ATOM 422 CA TYR A 28 4.685 -0.130 6.899 1.00 14.34 C ATOM 423 C TYR A 28 5.053 -1.604 6.646 1.00 42.13 C ATOM 424 O TYR A 28 4.176 -2.464 6.608 1.00 52.11 O ATOM 425 CB TYR A 28 3.295 0.172 6.317 1.00 22.25 C ATOM 426 CG TYR A 28 2.610 1.368 6.956 1.00 22.11 C ATOM 427 CD1 TYR A 28 3.018 2.670 6.679 1.00 52.54 C ATOM 428 CD2 TYR A 28 1.555 1.188 7.844 1.00 51.12 C ATOM 429 CE1 TYR A 28 2.389 3.755 7.268 1.00 11.01 C ATOM 430 CE2 TYR A 28 0.926 2.266 8.433 1.00 63.01 C ATOM 431 CZ TYR A 28 1.344 3.546 8.142 1.00 23.13 C ATOM 432 OH TYR A 28 0.720 4.618 8.742 1.00 23.23 O ATOM 0 H TYR A 28 5.544 0.984 5.336 1.00 11.15 H new ATOM 0 HA TYR A 28 4.674 0.025 7.978 1.00 14.34 H new ATOM 0 HB2 TYR A 28 3.390 0.349 5.246 1.00 22.25 H new ATOM 0 HB3 TYR A 28 2.661 -0.706 6.440 1.00 22.25 H new ATOM 0 HD1 TYR A 28 3.837 2.837 5.995 1.00 52.54 H new ATOM 0 HD2 TYR A 28 1.222 0.187 8.077 1.00 51.12 H new ATOM 0 HE1 TYR A 28 2.716 4.760 7.043 1.00 11.01 H new ATOM 0 HE2 TYR A 28 0.108 2.107 9.120 1.00 63.01 H new ATOM 0 HH TYR A 28 0.113 4.294 9.440 1.00 23.23 H new ATOM 442 N ASN A 29 6.349 -1.888 6.460 1.00 65.03 N ATOM 443 CA ASN A 29 6.847 -3.270 6.275 1.00 4.34 C ATOM 444 C ASN A 29 6.438 -3.876 4.911 1.00 21.41 C ATOM 445 O ASN A 29 7.047 -4.844 4.445 1.00 45.11 O ATOM 446 CB ASN A 29 6.370 -4.176 7.430 1.00 23.23 C ATOM 447 CG ASN A 29 6.896 -5.597 7.321 1.00 43.54 C ATOM 448 OD1 ASN A 29 6.268 -6.462 6.718 1.00 44.20 O ATOM 449 ND2 ASN A 29 8.052 -5.848 7.898 1.00 23.41 N ATOM 0 H ASN A 29 7.081 -1.178 6.433 1.00 65.03 H new ATOM 0 HA ASN A 29 7.936 -3.216 6.285 1.00 4.34 H new ATOM 0 HB2 ASN A 29 6.692 -3.746 8.379 1.00 23.23 H new ATOM 0 HB3 ASN A 29 5.280 -4.197 7.443 1.00 23.23 H new ATOM 0 HD21 ASN A 29 8.452 -6.785 7.852 1.00 23.41 H new ATOM 0 HD22 ASN A 29 8.548 -5.105 8.391 1.00 23.41 H new ATOM 456 N LEU A 30 5.438 -3.286 4.257 1.00 22.23 N ATOM 457 CA LEU A 30 4.927 -3.793 2.975 1.00 1.53 C ATOM 458 C LEU A 30 5.991 -3.756 1.863 1.00 74.41 C ATOM 459 O LEU A 30 5.796 -4.325 0.796 1.00 23.50 O ATOM 460 CB LEU A 30 3.697 -2.982 2.548 1.00 43.52 C ATOM 461 CG LEU A 30 2.499 -3.056 3.510 1.00 74.34 C ATOM 462 CD1 LEU A 30 1.419 -2.051 3.113 1.00 1.13 C ATOM 463 CD2 LEU A 30 1.932 -4.477 3.560 1.00 23.13 C ATOM 0 H LEU A 30 4.960 -2.450 4.594 1.00 22.23 H new ATOM 0 HA LEU A 30 4.652 -4.837 3.125 1.00 1.53 H new ATOM 0 HB2 LEU A 30 3.990 -1.938 2.438 1.00 43.52 H new ATOM 0 HB3 LEU A 30 3.376 -3.329 1.566 1.00 43.52 H new ATOM 0 HG LEU A 30 2.849 -2.795 4.509 1.00 74.34 H new ATOM 0 HD11 LEU A 30 0.582 -2.122 3.808 1.00 1.13 H new ATOM 0 HD12 LEU A 30 1.831 -1.043 3.144 1.00 1.13 H new ATOM 0 HD13 LEU A 30 1.072 -2.270 2.103 1.00 1.13 H new ATOM 0 HD21 LEU A 30 1.086 -4.507 4.246 1.00 23.13 H new ATOM 0 HD22 LEU A 30 1.602 -4.772 2.564 1.00 23.13 H new ATOM 0 HD23 LEU A 30 2.704 -5.165 3.906 1.00 23.13 H new ATOM 475 N GLY A 31 7.122 -3.098 2.123 1.00 34.34 N ATOM 476 CA GLY A 31 8.212 -3.035 1.145 1.00 30.11 C ATOM 477 C GLY A 31 8.661 -4.406 0.630 1.00 2.15 C ATOM 478 O GLY A 31 9.234 -4.509 -0.455 1.00 63.53 O ATOM 0 H GLY A 31 7.308 -2.604 2.996 1.00 34.34 H new ATOM 0 HA2 GLY A 31 7.894 -2.426 0.299 1.00 30.11 H new ATOM 0 HA3 GLY A 31 9.065 -2.530 1.598 1.00 30.11 H new ATOM 482 N CYS A 32 8.386 -5.461 1.400 1.00 14.34 N ATOM 483 CA CYS A 32 8.747 -6.835 1.005 1.00 12.42 C ATOM 484 C CYS A 32 7.851 -7.380 -0.128 1.00 11.11 C ATOM 485 O CYS A 32 7.989 -8.539 -0.531 1.00 32.13 O ATOM 486 CB CYS A 32 8.670 -7.772 2.218 1.00 30.22 C ATOM 487 SG CYS A 32 9.825 -7.361 3.550 1.00 13.24 S ATOM 0 H CYS A 32 7.914 -5.396 2.302 1.00 14.34 H new ATOM 0 HA CYS A 32 9.768 -6.798 0.626 1.00 12.42 H new ATOM 0 HB2 CYS A 32 7.655 -7.752 2.614 1.00 30.22 H new ATOM 0 HB3 CYS A 32 8.863 -8.792 1.887 1.00 30.22 H new ATOM 0 HG CYS A 32 9.680 -8.207 4.526 1.00 13.24 H new ATOM 493 N ILE A 33 6.936 -6.548 -0.640 1.00 70.23 N ATOM 494 CA ILE A 33 6.062 -6.943 -1.759 1.00 23.25 C ATOM 495 C ILE A 33 6.864 -7.432 -2.975 1.00 13.40 C ATOM 496 O ILE A 33 6.395 -8.282 -3.734 1.00 74.30 O ATOM 497 CB ILE A 33 5.127 -5.790 -2.203 1.00 53.22 C ATOM 498 CG1 ILE A 33 5.933 -4.497 -2.429 1.00 13.32 C ATOM 499 CG2 ILE A 33 4.003 -5.581 -1.188 1.00 65.40 C ATOM 500 CD1 ILE A 33 5.093 -3.324 -2.892 1.00 41.11 C ATOM 0 H ILE A 33 6.779 -5.599 -0.301 1.00 70.23 H new ATOM 0 HA ILE A 33 5.455 -7.766 -1.381 1.00 23.25 H new ATOM 0 HB ILE A 33 4.665 -6.064 -3.152 1.00 53.22 H new ATOM 0 HG12 ILE A 33 6.436 -4.227 -1.501 1.00 13.32 H new ATOM 0 HG13 ILE A 33 6.710 -4.689 -3.169 1.00 13.32 H new ATOM 0 HG21 ILE A 33 3.359 -4.767 -1.521 1.00 65.40 H new ATOM 0 HG22 ILE A 33 3.416 -6.495 -1.102 1.00 65.40 H new ATOM 0 HG23 ILE A 33 4.431 -5.332 -0.217 1.00 65.40 H new ATOM 0 HD11 ILE A 33 5.731 -2.451 -3.029 1.00 41.11 H new ATOM 0 HD12 ILE A 33 4.610 -3.573 -3.837 1.00 41.11 H new ATOM 0 HD13 ILE A 33 4.332 -3.103 -2.143 1.00 41.11 H new ATOM 512 N GLY A 34 8.071 -6.896 -3.149 1.00 13.24 N ATOM 513 CA GLY A 34 8.939 -7.332 -4.240 1.00 20.30 C ATOM 514 C GLY A 34 9.379 -8.788 -4.092 1.00 33.35 C ATOM 515 O GLY A 34 9.414 -9.541 -5.068 1.00 10.11 O ATOM 0 H GLY A 34 8.466 -6.167 -2.555 1.00 13.24 H new ATOM 0 HA2 GLY A 34 8.415 -7.209 -5.188 1.00 20.30 H new ATOM 0 HA3 GLY A 34 9.820 -6.692 -4.277 1.00 20.30 H new ATOM 519 N CYS A 35 9.714 -9.180 -2.866 1.00 64.01 N ATOM 520 CA CYS A 35 10.118 -10.561 -2.566 1.00 23.13 C ATOM 521 C CYS A 35 8.931 -11.534 -2.633 1.00 64.54 C ATOM 522 O CYS A 35 8.970 -12.525 -3.360 1.00 71.44 O ATOM 523 CB CYS A 35 10.759 -10.641 -1.174 1.00 61.13 C ATOM 524 SG CYS A 35 11.110 -12.327 -0.616 1.00 72.30 S ATOM 0 H CYS A 35 9.715 -8.560 -2.056 1.00 64.01 H new ATOM 0 HA CYS A 35 10.843 -10.854 -3.325 1.00 23.13 H new ATOM 0 HB2 CYS A 35 11.688 -10.071 -1.181 1.00 61.13 H new ATOM 0 HB3 CYS A 35 10.097 -10.162 -0.453 1.00 61.13 H new ATOM 0 HG CYS A 35 11.650 -12.289 0.566 1.00 72.30 H new ATOM 530 N MET A 36 7.876 -11.242 -1.872 1.00 24.45 N ATOM 531 CA MET A 36 6.719 -12.148 -1.761 1.00 14.51 C ATOM 532 C MET A 36 5.856 -12.179 -3.037 1.00 52.43 C ATOM 533 O MET A 36 4.989 -13.043 -3.185 1.00 5.43 O ATOM 534 CB MET A 36 5.854 -11.752 -0.554 1.00 54.32 C ATOM 535 CG MET A 36 5.316 -10.326 -0.615 1.00 43.04 C ATOM 536 SD MET A 36 4.372 -9.862 0.854 1.00 41.23 S ATOM 537 CE MET A 36 3.021 -11.036 0.772 1.00 23.13 C ATOM 0 H MET A 36 7.793 -10.387 -1.321 1.00 24.45 H new ATOM 0 HA MET A 36 7.117 -13.153 -1.622 1.00 14.51 H new ATOM 0 HB2 MET A 36 5.014 -12.443 -0.480 1.00 54.32 H new ATOM 0 HB3 MET A 36 6.443 -11.868 0.356 1.00 54.32 H new ATOM 0 HG2 MET A 36 6.150 -9.634 -0.738 1.00 43.04 H new ATOM 0 HG3 MET A 36 4.682 -10.220 -1.495 1.00 43.04 H new ATOM 0 HE1 MET A 36 2.173 -10.656 1.342 1.00 23.13 H new ATOM 0 HE2 MET A 36 2.725 -11.178 -0.267 1.00 23.13 H new ATOM 0 HE3 MET A 36 3.342 -11.990 1.191 1.00 23.13 H new ATOM 547 N GLY A 37 6.094 -11.240 -3.951 1.00 42.21 N ATOM 548 CA GLY A 37 5.310 -11.169 -5.183 1.00 24.14 C ATOM 549 C GLY A 37 3.906 -10.623 -4.959 1.00 3.23 C ATOM 550 O GLY A 37 2.920 -11.200 -5.417 1.00 12.01 O ATOM 0 H GLY A 37 6.816 -10.524 -3.864 1.00 42.21 H new ATOM 0 HA2 GLY A 37 5.830 -10.537 -5.903 1.00 24.14 H new ATOM 0 HA3 GLY A 37 5.242 -12.164 -5.623 1.00 24.14 H new ATOM 554 N ALA A 38 3.815 -9.505 -4.245 1.00 24.45 N ATOM 555 CA ALA A 38 2.531 -8.855 -3.979 1.00 1.35 C ATOM 556 C ALA A 38 2.430 -7.520 -4.728 1.00 31.52 C ATOM 557 O ALA A 38 2.413 -6.449 -4.128 1.00 24.53 O ATOM 558 CB ALA A 38 2.332 -8.658 -2.478 1.00 44.03 C ATOM 0 H ALA A 38 4.618 -9.026 -3.837 1.00 24.45 H new ATOM 0 HA ALA A 38 1.735 -9.504 -4.345 1.00 1.35 H new ATOM 0 HB1 ALA A 38 1.372 -8.173 -2.299 1.00 44.03 H new ATOM 0 HB2 ALA A 38 2.348 -9.627 -1.979 1.00 44.03 H new ATOM 0 HB3 ALA A 38 3.133 -8.033 -2.084 1.00 44.03 H new ATOM 564 N GLN A 39 2.425 -7.596 -6.054 1.00 4.11 N ATOM 565 CA GLN A 39 2.264 -6.409 -6.904 1.00 3.51 C ATOM 566 C GLN A 39 0.814 -6.296 -7.399 1.00 65.25 C ATOM 567 O GLN A 39 0.234 -5.210 -7.441 1.00 74.13 O ATOM 568 CB GLN A 39 3.228 -6.479 -8.100 1.00 1.50 C ATOM 569 CG GLN A 39 4.697 -6.598 -7.701 1.00 60.21 C ATOM 570 CD GLN A 39 5.215 -5.372 -6.966 1.00 3.03 C ATOM 571 OE1 GLN A 39 5.066 -5.357 -5.657 1.00 45.32 O flip ATOM 572 NE2 GLN A 39 5.736 -4.441 -7.567 1.00 21.12 N flip ATOM 0 H GLN A 39 2.531 -8.469 -6.571 1.00 4.11 H new ATOM 0 HA GLN A 39 2.499 -5.524 -6.313 1.00 3.51 H new ATOM 0 HB2 GLN A 39 2.960 -7.333 -8.722 1.00 1.50 H new ATOM 0 HB3 GLN A 39 3.098 -5.586 -8.712 1.00 1.50 H new ATOM 0 HG2 GLN A 39 4.826 -7.476 -7.068 1.00 60.21 H new ATOM 0 HG3 GLN A 39 5.299 -6.760 -8.595 1.00 60.21 H new ATOM 0 HE21 GLN A 39 5.837 -4.482 -8.581 1.00 21.12 H new ATOM 0 HE22 GLN A 39 6.069 -3.625 -7.053 1.00 21.12 H new ATOM 581 N ASN A 40 0.238 -7.441 -7.752 1.00 74.30 N ATOM 582 CA ASN A 40 -1.129 -7.512 -8.278 1.00 72.51 C ATOM 583 C ASN A 40 -2.160 -7.697 -7.152 1.00 4.23 C ATOM 584 O ASN A 40 -3.359 -7.808 -7.409 1.00 41.30 O ATOM 585 CB ASN A 40 -1.234 -8.674 -9.272 1.00 44.41 C ATOM 586 CG ASN A 40 -0.178 -8.604 -10.362 1.00 1.31 C ATOM 587 OD1 ASN A 40 -0.382 -7.994 -11.404 1.00 32.13 O ATOM 588 ND2 ASN A 40 0.964 -9.232 -10.135 1.00 62.44 N ATOM 0 H ASN A 40 0.702 -8.347 -7.683 1.00 74.30 H new ATOM 0 HA ASN A 40 -1.348 -6.570 -8.780 1.00 72.51 H new ATOM 0 HB2 ASN A 40 -1.135 -9.617 -8.735 1.00 44.41 H new ATOM 0 HB3 ASN A 40 -2.224 -8.669 -9.729 1.00 44.41 H new ATOM 0 HD21 ASN A 40 1.703 -9.216 -10.838 1.00 62.44 H new ATOM 0 HD22 ASN A 40 1.105 -9.732 -9.257 1.00 62.44 H new ATOM 595 N GLU A 41 -1.687 -7.729 -5.908 1.00 51.32 N ATOM 596 CA GLU A 41 -2.564 -7.917 -4.745 1.00 70.14 C ATOM 597 C GLU A 41 -3.049 -6.567 -4.182 1.00 30.33 C ATOM 598 O GLU A 41 -2.313 -5.578 -4.192 1.00 45.22 O ATOM 599 CB GLU A 41 -1.825 -8.728 -3.665 1.00 30.32 C ATOM 600 CG GLU A 41 -2.662 -9.015 -2.421 1.00 24.42 C ATOM 601 CD GLU A 41 -2.018 -10.038 -1.494 1.00 23.44 C ATOM 602 OE1 GLU A 41 -1.100 -9.675 -0.735 1.00 52.12 O ATOM 603 OE2 GLU A 41 -2.429 -11.222 -1.525 1.00 60.45 O ATOM 0 H GLU A 41 -0.699 -7.627 -5.675 1.00 51.32 H new ATOM 0 HA GLU A 41 -3.448 -8.470 -5.064 1.00 70.14 H new ATOM 0 HB2 GLU A 41 -1.498 -9.674 -4.096 1.00 30.32 H new ATOM 0 HB3 GLU A 41 -0.927 -8.185 -3.369 1.00 30.32 H new ATOM 0 HG2 GLU A 41 -2.820 -8.086 -1.874 1.00 24.42 H new ATOM 0 HG3 GLU A 41 -3.644 -9.376 -2.726 1.00 24.42 H new ATOM 610 N SER A 42 -4.299 -6.529 -3.713 1.00 71.12 N ATOM 611 CA SER A 42 -4.897 -5.292 -3.179 1.00 53.24 C ATOM 612 C SER A 42 -4.296 -4.910 -1.816 1.00 65.41 C ATOM 613 O SER A 42 -3.879 -5.776 -1.043 1.00 23.52 O ATOM 614 CB SER A 42 -6.421 -5.443 -3.042 1.00 72.13 C ATOM 615 OG SER A 42 -7.024 -5.797 -4.279 1.00 62.12 O ATOM 0 H SER A 42 -4.920 -7.338 -3.690 1.00 71.12 H new ATOM 0 HA SER A 42 -4.672 -4.495 -3.888 1.00 53.24 H new ATOM 0 HB2 SER A 42 -6.646 -6.205 -2.295 1.00 72.13 H new ATOM 0 HB3 SER A 42 -6.849 -4.507 -2.682 1.00 72.13 H new ATOM 0 HG SER A 42 -7.422 -5.001 -4.689 1.00 62.12 H new ATOM 621 N LEU A 43 -4.282 -3.608 -1.522 1.00 23.20 N ATOM 622 CA LEU A 43 -3.675 -3.082 -0.284 1.00 74.24 C ATOM 623 C LEU A 43 -4.217 -3.770 0.984 1.00 42.44 C ATOM 624 O LEU A 43 -3.448 -4.150 1.868 1.00 51.32 O ATOM 625 CB LEU A 43 -3.894 -1.564 -0.195 1.00 33.43 C ATOM 626 CG LEU A 43 -3.239 -0.743 -1.319 1.00 11.45 C ATOM 627 CD1 LEU A 43 -3.574 0.738 -1.174 1.00 44.55 C ATOM 628 CD2 LEU A 43 -1.723 -0.954 -1.338 1.00 11.33 C ATOM 0 H LEU A 43 -4.685 -2.890 -2.124 1.00 23.20 H new ATOM 0 HA LEU A 43 -2.608 -3.300 -0.333 1.00 74.24 H new ATOM 0 HB2 LEU A 43 -4.966 -1.366 -0.199 1.00 33.43 H new ATOM 0 HB3 LEU A 43 -3.509 -1.213 0.762 1.00 33.43 H new ATOM 0 HG LEU A 43 -3.642 -1.093 -2.269 1.00 11.45 H new ATOM 0 HD11 LEU A 43 -3.100 1.299 -1.980 1.00 44.55 H new ATOM 0 HD12 LEU A 43 -4.654 0.873 -1.224 1.00 44.55 H new ATOM 0 HD13 LEU A 43 -3.207 1.102 -0.214 1.00 44.55 H new ATOM 0 HD21 LEU A 43 -1.283 -0.363 -2.141 1.00 11.33 H new ATOM 0 HD22 LEU A 43 -1.300 -0.640 -0.384 1.00 11.33 H new ATOM 0 HD23 LEU A 43 -1.505 -2.009 -1.503 1.00 11.33 H new ATOM 640 N GLU A 44 -5.540 -3.925 1.073 1.00 42.22 N ATOM 641 CA GLU A 44 -6.159 -4.596 2.227 1.00 54.01 C ATOM 642 C GLU A 44 -5.694 -6.054 2.339 1.00 23.34 C ATOM 643 O GLU A 44 -5.323 -6.523 3.416 1.00 11.23 O ATOM 644 CB GLU A 44 -7.689 -4.545 2.123 1.00 54.32 C ATOM 645 CG GLU A 44 -8.412 -5.237 3.279 1.00 15.02 C ATOM 646 CD GLU A 44 -9.927 -5.177 3.148 1.00 31.30 C ATOM 647 OE1 GLU A 44 -10.473 -5.842 2.243 1.00 32.13 O ATOM 648 OE2 GLU A 44 -10.577 -4.470 3.951 1.00 15.34 O ATOM 0 H GLU A 44 -6.202 -3.599 0.368 1.00 42.22 H new ATOM 0 HA GLU A 44 -5.844 -4.065 3.125 1.00 54.01 H new ATOM 0 HB2 GLU A 44 -8.006 -3.503 2.081 1.00 54.32 H new ATOM 0 HB3 GLU A 44 -7.995 -5.009 1.186 1.00 54.32 H new ATOM 0 HG2 GLU A 44 -8.097 -6.279 3.326 1.00 15.02 H new ATOM 0 HG3 GLU A 44 -8.114 -4.771 4.218 1.00 15.02 H new ATOM 655 N GLN A 45 -5.716 -6.759 1.212 1.00 52.14 N ATOM 656 CA GLN A 45 -5.272 -8.155 1.150 1.00 40.35 C ATOM 657 C GLN A 45 -3.818 -8.299 1.632 1.00 40.41 C ATOM 658 O GLN A 45 -3.480 -9.232 2.367 1.00 15.32 O ATOM 659 CB GLN A 45 -5.416 -8.669 -0.288 1.00 4.14 C ATOM 660 CG GLN A 45 -6.856 -8.654 -0.799 1.00 53.05 C ATOM 661 CD GLN A 45 -6.958 -8.855 -2.304 1.00 1.32 C ATOM 662 OE1 GLN A 45 -6.113 -9.492 -2.921 1.00 35.11 O ATOM 663 NE2 GLN A 45 -7.999 -8.319 -2.905 1.00 32.53 N ATOM 0 H GLN A 45 -6.039 -6.386 0.320 1.00 52.14 H new ATOM 0 HA GLN A 45 -5.897 -8.752 1.814 1.00 40.35 H new ATOM 0 HB2 GLN A 45 -4.799 -8.059 -0.947 1.00 4.14 H new ATOM 0 HB3 GLN A 45 -5.030 -9.687 -0.342 1.00 4.14 H new ATOM 0 HG2 GLN A 45 -7.422 -9.437 -0.295 1.00 53.05 H new ATOM 0 HG3 GLN A 45 -7.320 -7.704 -0.533 1.00 53.05 H new ATOM 0 HE21 GLN A 45 -8.686 -7.794 -2.364 1.00 32.53 H new ATOM 0 HE22 GLN A 45 -8.119 -8.429 -3.912 1.00 32.53 H new ATOM 672 N GLY A 46 -2.963 -7.365 1.218 1.00 44.32 N ATOM 673 CA GLY A 46 -1.581 -7.350 1.684 1.00 0.34 C ATOM 674 C GLY A 46 -1.457 -7.011 3.169 1.00 42.15 C ATOM 675 O GLY A 46 -0.641 -7.599 3.887 1.00 53.32 O ATOM 0 H GLY A 46 -3.201 -6.617 0.567 1.00 44.32 H new ATOM 0 HA2 GLY A 46 -1.131 -8.325 1.500 1.00 0.34 H new ATOM 0 HA3 GLY A 46 -1.015 -6.623 1.102 1.00 0.34 H new ATOM 679 N ALA A 47 -2.270 -6.062 3.630 1.00 55.32 N ATOM 680 CA ALA A 47 -2.299 -5.681 5.046 1.00 73.22 C ATOM 681 C ALA A 47 -2.653 -6.881 5.935 1.00 12.44 C ATOM 682 O ALA A 47 -1.924 -7.206 6.877 1.00 23.23 O ATOM 683 CB ALA A 47 -3.291 -4.545 5.267 1.00 41.44 C ATOM 0 H ALA A 47 -2.921 -5.540 3.043 1.00 55.32 H new ATOM 0 HA ALA A 47 -1.303 -5.338 5.325 1.00 73.22 H new ATOM 0 HB1 ALA A 47 -3.303 -4.272 6.322 1.00 41.44 H new ATOM 0 HB2 ALA A 47 -2.994 -3.681 4.672 1.00 41.44 H new ATOM 0 HB3 ALA A 47 -4.287 -4.868 4.965 1.00 41.44 H new ATOM 689 N ASN A 48 -3.764 -7.547 5.616 1.00 32.03 N ATOM 690 CA ASN A 48 -4.191 -8.756 6.333 1.00 72.30 C ATOM 691 C ASN A 48 -3.056 -9.792 6.410 1.00 34.10 C ATOM 692 O ASN A 48 -2.780 -10.352 7.474 1.00 4.42 O ATOM 693 CB ASN A 48 -5.417 -9.376 5.642 1.00 11.34 C ATOM 694 CG ASN A 48 -6.634 -8.463 5.666 1.00 1.14 C ATOM 695 OD1 ASN A 48 -6.823 -7.676 6.588 1.00 72.21 O ATOM 696 ND2 ASN A 48 -7.474 -8.566 4.656 1.00 30.51 N ATOM 0 H ASN A 48 -4.390 -7.269 4.860 1.00 32.03 H new ATOM 0 HA ASN A 48 -4.456 -8.466 7.350 1.00 72.30 H new ATOM 0 HB2 ASN A 48 -5.165 -9.610 4.608 1.00 11.34 H new ATOM 0 HB3 ASN A 48 -5.666 -10.318 6.131 1.00 11.34 H new ATOM 0 HD21 ASN A 48 -8.309 -7.982 4.626 1.00 30.51 H new ATOM 0 HD22 ASN A 48 -7.289 -9.230 3.904 1.00 30.51 H new ATOM 703 N ALA A 49 -2.390 -10.025 5.277 1.00 61.32 N ATOM 704 CA ALA A 49 -1.276 -10.983 5.208 1.00 61.15 C ATOM 705 C ALA A 49 -0.101 -10.583 6.121 1.00 60.21 C ATOM 706 O ALA A 49 0.628 -11.439 6.623 1.00 72.42 O ATOM 707 CB ALA A 49 -0.800 -11.125 3.765 1.00 62.24 C ATOM 0 H ALA A 49 -2.601 -9.564 4.392 1.00 61.32 H new ATOM 0 HA ALA A 49 -1.648 -11.943 5.567 1.00 61.15 H new ATOM 0 HB1 ALA A 49 0.025 -11.836 3.722 1.00 62.24 H new ATOM 0 HB2 ALA A 49 -1.621 -11.484 3.145 1.00 62.24 H new ATOM 0 HB3 ALA A 49 -0.463 -10.156 3.396 1.00 62.24 H new ATOM 713 N HIS A 50 0.085 -9.279 6.327 1.00 61.52 N ATOM 714 CA HIS A 50 1.160 -8.770 7.194 1.00 34.11 C ATOM 715 C HIS A 50 0.644 -8.406 8.601 1.00 32.45 C ATOM 716 O HIS A 50 1.402 -7.921 9.445 1.00 13.43 O ATOM 717 CB HIS A 50 1.829 -7.549 6.544 1.00 34.55 C ATOM 718 CG HIS A 50 2.695 -7.888 5.364 1.00 1.22 C ATOM 719 ND1 HIS A 50 4.073 -7.851 5.411 1.00 41.41 N ATOM 720 CD2 HIS A 50 2.378 -8.264 4.099 1.00 72.30 C ATOM 721 CE1 HIS A 50 4.564 -8.186 4.237 1.00 53.14 C ATOM 722 NE2 HIS A 50 3.562 -8.442 3.422 1.00 33.34 N ATOM 0 H HIS A 50 -0.493 -8.551 5.907 1.00 61.52 H new ATOM 0 HA HIS A 50 1.893 -9.568 7.310 1.00 34.11 H new ATOM 0 HB2 HIS A 50 1.056 -6.849 6.226 1.00 34.55 H new ATOM 0 HB3 HIS A 50 2.434 -7.037 7.292 1.00 34.55 H new ATOM 0 HD1 HIS A 50 4.627 -7.602 6.231 1.00 41.41 H new ATOM 0 HD2 HIS A 50 1.384 -8.398 3.699 1.00 72.30 H new ATOM 0 HE1 HIS A 50 5.613 -8.242 3.984 1.00 53.14 H new ATOM 0 HE2 HIS A 50 3.650 -8.726 2.446 1.00 33.34 H new ATOM 731 N GLY A 51 -0.644 -8.646 8.848 1.00 15.42 N ATOM 732 CA GLY A 51 -1.241 -8.331 10.145 1.00 64.20 C ATOM 733 C GLY A 51 -1.247 -6.834 10.460 1.00 72.23 C ATOM 734 O GLY A 51 -1.083 -6.429 11.615 1.00 42.30 O ATOM 0 H GLY A 51 -1.290 -9.055 8.172 1.00 15.42 H new ATOM 0 HA2 GLY A 51 -2.265 -8.704 10.166 1.00 64.20 H new ATOM 0 HA3 GLY A 51 -0.694 -8.858 10.927 1.00 64.20 H new ATOM 738 N LEU A 52 -1.447 -6.018 9.429 1.00 64.44 N ATOM 739 CA LEU A 52 -1.433 -4.556 9.564 1.00 34.50 C ATOM 740 C LEU A 52 -2.848 -3.966 9.497 1.00 75.21 C ATOM 741 O LEU A 52 -3.766 -4.577 8.947 1.00 30.01 O ATOM 742 CB LEU A 52 -0.581 -3.941 8.448 1.00 54.42 C ATOM 743 CG LEU A 52 0.881 -4.405 8.402 1.00 63.32 C ATOM 744 CD1 LEU A 52 1.582 -3.834 7.178 1.00 23.34 C ATOM 745 CD2 LEU A 52 1.616 -4.005 9.676 1.00 41.20 C ATOM 0 H LEU A 52 -1.623 -6.345 8.479 1.00 64.44 H new ATOM 0 HA LEU A 52 -1.009 -4.319 10.540 1.00 34.50 H new ATOM 0 HB2 LEU A 52 -1.047 -4.171 7.490 1.00 54.42 H new ATOM 0 HB3 LEU A 52 -0.597 -2.857 8.558 1.00 54.42 H new ATOM 0 HG LEU A 52 0.892 -5.493 8.331 1.00 63.32 H new ATOM 0 HD11 LEU A 52 2.618 -4.173 7.161 1.00 23.34 H new ATOM 0 HD12 LEU A 52 1.074 -4.174 6.276 1.00 23.34 H new ATOM 0 HD13 LEU A 52 1.557 -2.745 7.219 1.00 23.34 H new ATOM 0 HD21 LEU A 52 2.650 -4.344 9.621 1.00 41.20 H new ATOM 0 HD22 LEU A 52 1.595 -2.920 9.783 1.00 41.20 H new ATOM 0 HD23 LEU A 52 1.129 -4.464 10.536 1.00 41.20 H new ATOM 757 N ASN A 53 -3.013 -2.769 10.046 1.00 73.51 N ATOM 758 CA ASN A 53 -4.286 -2.055 9.961 1.00 0.21 C ATOM 759 C ASN A 53 -4.386 -1.275 8.640 1.00 10.24 C ATOM 760 O ASN A 53 -3.765 -0.221 8.478 1.00 35.32 O ATOM 761 CB ASN A 53 -4.447 -1.102 11.151 1.00 42.40 C ATOM 762 CG ASN A 53 -5.789 -0.396 11.140 1.00 55.14 C ATOM 763 OD1 ASN A 53 -6.779 -0.930 10.649 1.00 33.42 O ATOM 764 ND2 ASN A 53 -5.833 0.807 11.668 1.00 62.04 N ATOM 0 H ASN A 53 -2.283 -2.270 10.555 1.00 73.51 H new ATOM 0 HA ASN A 53 -5.090 -2.790 9.990 1.00 0.21 H new ATOM 0 HB2 ASN A 53 -4.340 -1.662 12.080 1.00 42.40 H new ATOM 0 HB3 ASN A 53 -3.648 -0.361 11.132 1.00 42.40 H new ATOM 0 HD21 ASN A 53 -6.710 1.328 11.678 1.00 62.04 H new ATOM 0 HD22 ASN A 53 -4.990 1.220 12.067 1.00 62.04 H new ATOM 771 N VAL A 54 -5.177 -1.799 7.707 1.00 21.12 N ATOM 772 CA VAL A 54 -5.320 -1.200 6.374 1.00 45.40 C ATOM 773 C VAL A 54 -5.729 0.286 6.433 1.00 41.41 C ATOM 774 O VAL A 54 -5.245 1.098 5.645 1.00 11.30 O ATOM 775 CB VAL A 54 -6.336 -1.989 5.508 1.00 1.14 C ATOM 776 CG1 VAL A 54 -7.717 -2.017 6.163 1.00 3.41 C ATOM 777 CG2 VAL A 54 -6.411 -1.409 4.094 1.00 72.14 C ATOM 0 H VAL A 54 -5.734 -2.642 7.847 1.00 21.12 H new ATOM 0 HA VAL A 54 -4.335 -1.256 5.910 1.00 45.40 H new ATOM 0 HB VAL A 54 -5.984 -3.018 5.434 1.00 1.14 H new ATOM 0 HG11 VAL A 54 -8.407 -2.577 5.532 1.00 3.41 H new ATOM 0 HG12 VAL A 54 -7.647 -2.496 7.139 1.00 3.41 H new ATOM 0 HG13 VAL A 54 -8.083 -0.997 6.285 1.00 3.41 H new ATOM 0 HG21 VAL A 54 -7.130 -1.978 3.505 1.00 72.14 H new ATOM 0 HG22 VAL A 54 -6.727 -0.367 4.144 1.00 72.14 H new ATOM 0 HG23 VAL A 54 -5.429 -1.468 3.624 1.00 72.14 H new ATOM 787 N GLU A 55 -6.602 0.640 7.375 1.00 73.11 N ATOM 788 CA GLU A 55 -7.062 2.029 7.516 1.00 43.15 C ATOM 789 C GLU A 55 -5.897 2.984 7.825 1.00 22.53 C ATOM 790 O GLU A 55 -5.819 4.086 7.275 1.00 50.11 O ATOM 791 CB GLU A 55 -8.129 2.128 8.615 1.00 72.15 C ATOM 792 CG GLU A 55 -9.365 1.265 8.362 1.00 55.31 C ATOM 793 CD GLU A 55 -10.096 1.633 7.078 1.00 51.03 C ATOM 794 OE1 GLU A 55 -10.967 2.530 7.116 1.00 70.53 O ATOM 795 OE2 GLU A 55 -9.817 1.020 6.027 1.00 0.23 O ATOM 0 H GLU A 55 -7.006 -0.009 8.051 1.00 73.11 H new ATOM 0 HA GLU A 55 -7.498 2.330 6.563 1.00 43.15 H new ATOM 0 HB2 GLU A 55 -7.684 1.837 9.566 1.00 72.15 H new ATOM 0 HB3 GLU A 55 -8.439 3.168 8.713 1.00 72.15 H new ATOM 0 HG2 GLU A 55 -9.067 0.218 8.316 1.00 55.31 H new ATOM 0 HG3 GLU A 55 -10.049 1.365 9.204 1.00 55.31 H new ATOM 802 N ASP A 56 -4.986 2.551 8.695 1.00 35.11 N ATOM 803 CA ASP A 56 -3.826 3.366 9.069 1.00 1.31 C ATOM 804 C ASP A 56 -2.866 3.532 7.874 1.00 52.11 C ATOM 805 O ASP A 56 -2.247 4.585 7.696 1.00 31.43 O ATOM 806 CB ASP A 56 -3.107 2.718 10.260 1.00 3.05 C ATOM 807 CG ASP A 56 -2.147 3.670 10.954 1.00 63.25 C ATOM 808 OD1 ASP A 56 -2.623 4.579 11.668 1.00 63.31 O ATOM 809 OD2 ASP A 56 -0.920 3.512 10.800 1.00 64.42 O ATOM 0 H ASP A 56 -5.027 1.642 9.155 1.00 35.11 H new ATOM 0 HA ASP A 56 -4.168 4.359 9.359 1.00 1.31 H new ATOM 0 HB2 ASP A 56 -3.847 2.367 10.979 1.00 3.05 H new ATOM 0 HB3 ASP A 56 -2.558 1.842 9.915 1.00 3.05 H new ATOM 814 N ILE A 57 -2.772 2.483 7.055 1.00 65.20 N ATOM 815 CA ILE A 57 -1.969 2.512 5.826 1.00 14.20 C ATOM 816 C ILE A 57 -2.556 3.508 4.808 1.00 64.30 C ATOM 817 O ILE A 57 -1.858 4.399 4.314 1.00 3.12 O ATOM 818 CB ILE A 57 -1.895 1.104 5.172 1.00 11.01 C ATOM 819 CG1 ILE A 57 -1.389 0.063 6.185 1.00 23.21 C ATOM 820 CG2 ILE A 57 -0.999 1.130 3.932 1.00 24.43 C ATOM 821 CD1 ILE A 57 -1.370 -1.354 5.648 1.00 65.33 C ATOM 0 H ILE A 57 -3.245 1.595 7.221 1.00 65.20 H new ATOM 0 HA ILE A 57 -0.965 2.830 6.105 1.00 14.20 H new ATOM 0 HB ILE A 57 -2.900 0.819 4.860 1.00 11.01 H new ATOM 0 HG12 ILE A 57 -0.382 0.336 6.500 1.00 23.21 H new ATOM 0 HG13 ILE A 57 -2.021 0.097 7.073 1.00 23.21 H new ATOM 0 HG21 ILE A 57 -0.961 0.135 3.490 1.00 24.43 H new ATOM 0 HG22 ILE A 57 -1.404 1.835 3.206 1.00 24.43 H new ATOM 0 HG23 ILE A 57 0.007 1.439 4.216 1.00 24.43 H new ATOM 0 HD11 ILE A 57 -1.002 -2.030 6.419 1.00 65.33 H new ATOM 0 HD12 ILE A 57 -2.379 -1.647 5.360 1.00 65.33 H new ATOM 0 HD13 ILE A 57 -0.715 -1.405 4.778 1.00 65.33 H new ATOM 833 N LEU A 58 -3.850 3.355 4.514 1.00 11.52 N ATOM 834 CA LEU A 58 -4.554 4.246 3.578 1.00 45.23 C ATOM 835 C LEU A 58 -4.455 5.710 4.023 1.00 72.33 C ATOM 836 O LEU A 58 -4.393 6.620 3.197 1.00 31.32 O ATOM 837 CB LEU A 58 -6.030 3.845 3.456 1.00 64.15 C ATOM 838 CG LEU A 58 -6.290 2.408 2.975 1.00 64.11 C ATOM 839 CD1 LEU A 58 -7.788 2.144 2.860 1.00 1.00 C ATOM 840 CD2 LEU A 58 -5.588 2.146 1.645 1.00 32.35 C ATOM 0 H LEU A 58 -4.436 2.621 4.911 1.00 11.52 H new ATOM 0 HA LEU A 58 -4.073 4.145 2.605 1.00 45.23 H new ATOM 0 HB2 LEU A 58 -6.505 3.975 4.428 1.00 64.15 H new ATOM 0 HB3 LEU A 58 -6.519 4.534 2.767 1.00 64.15 H new ATOM 0 HG LEU A 58 -5.878 1.720 3.714 1.00 64.11 H new ATOM 0 HD11 LEU A 58 -7.952 1.122 2.518 1.00 1.00 H new ATOM 0 HD12 LEU A 58 -8.257 2.281 3.834 1.00 1.00 H new ATOM 0 HD13 LEU A 58 -8.226 2.840 2.145 1.00 1.00 H new ATOM 0 HD21 LEU A 58 -5.786 1.123 1.324 1.00 32.35 H new ATOM 0 HD22 LEU A 58 -5.962 2.841 0.893 1.00 32.35 H new ATOM 0 HD23 LEU A 58 -4.514 2.287 1.767 1.00 32.35 H new ATOM 852 N ARG A 59 -4.448 5.921 5.335 1.00 12.03 N ATOM 853 CA ARG A 59 -4.283 7.257 5.920 1.00 22.33 C ATOM 854 C ARG A 59 -3.045 7.978 5.353 1.00 23.23 C ATOM 855 O ARG A 59 -3.145 9.086 4.821 1.00 40.11 O ATOM 856 CB ARG A 59 -4.149 7.131 7.441 1.00 60.13 C ATOM 857 CG ARG A 59 -3.844 8.445 8.158 1.00 34.32 C ATOM 858 CD ARG A 59 -3.287 8.196 9.553 1.00 63.41 C ATOM 859 NE ARG A 59 -2.072 7.382 9.510 1.00 62.35 N ATOM 860 CZ ARG A 59 -1.272 7.197 10.523 1.00 71.30 C ATOM 861 NH1 ARG A 59 -1.539 7.713 11.678 1.00 65.32 N ATOM 862 NH2 ARG A 59 -0.212 6.472 10.383 1.00 34.52 N ATOM 0 H ARG A 59 -4.556 5.177 6.025 1.00 12.03 H new ATOM 0 HA ARG A 59 -5.162 7.849 5.665 1.00 22.33 H new ATOM 0 HB2 ARG A 59 -5.075 6.718 7.842 1.00 60.13 H new ATOM 0 HB3 ARG A 59 -3.358 6.416 7.666 1.00 60.13 H new ATOM 0 HG2 ARG A 59 -3.126 9.022 7.575 1.00 34.32 H new ATOM 0 HG3 ARG A 59 -4.752 9.043 8.228 1.00 34.32 H new ATOM 0 HD2 ARG A 59 -3.070 9.150 10.034 1.00 63.41 H new ATOM 0 HD3 ARG A 59 -4.040 7.695 10.162 1.00 63.41 H new ATOM 0 HE ARG A 59 -1.835 6.928 8.628 1.00 62.35 H new ATOM 0 HH11 ARG A 59 -2.383 8.272 11.804 1.00 65.32 H new ATOM 0 HH12 ARG A 59 -0.906 7.561 12.463 1.00 65.32 H new ATOM 0 HH21 ARG A 59 -0.002 6.045 9.481 1.00 34.52 H new ATOM 0 HH22 ARG A 59 0.415 6.327 11.175 1.00 34.52 H new ATOM 876 N ASP A 60 -1.882 7.337 5.467 1.00 62.00 N ATOM 877 CA ASP A 60 -0.618 7.943 5.029 1.00 61.41 C ATOM 878 C ASP A 60 -0.537 7.994 3.491 1.00 55.51 C ATOM 879 O ASP A 60 0.004 8.937 2.916 1.00 14.33 O ATOM 880 CB ASP A 60 0.567 7.162 5.619 1.00 1.02 C ATOM 881 CG ASP A 60 1.844 7.987 5.662 1.00 62.15 C ATOM 882 OD1 ASP A 60 1.927 8.910 6.500 1.00 63.41 O ATOM 883 OD2 ASP A 60 2.776 7.715 4.883 1.00 51.43 O ATOM 0 H ASP A 60 -1.786 6.400 5.858 1.00 62.00 H new ATOM 0 HA ASP A 60 -0.575 8.969 5.394 1.00 61.41 H new ATOM 0 HB2 ASP A 60 0.316 6.834 6.628 1.00 1.02 H new ATOM 0 HB3 ASP A 60 0.738 6.264 5.025 1.00 1.02 H new ATOM 888 N LEU A 61 -1.107 6.981 2.835 1.00 32.15 N ATOM 889 CA LEU A 61 -1.170 6.938 1.367 1.00 74.22 C ATOM 890 C LEU A 61 -1.978 8.117 0.792 1.00 5.33 C ATOM 891 O LEU A 61 -1.530 8.796 -0.134 1.00 71.15 O ATOM 892 CB LEU A 61 -1.786 5.612 0.901 1.00 43.13 C ATOM 893 CG LEU A 61 -0.926 4.363 1.154 1.00 43.45 C ATOM 894 CD1 LEU A 61 -1.679 3.099 0.749 1.00 73.24 C ATOM 895 CD2 LEU A 61 0.398 4.462 0.398 1.00 12.34 C ATOM 0 H LEU A 61 -1.533 6.177 3.295 1.00 32.15 H new ATOM 0 HA LEU A 61 -0.149 7.018 0.995 1.00 74.22 H new ATOM 0 HB2 LEU A 61 -2.745 5.480 1.402 1.00 43.13 H new ATOM 0 HB3 LEU A 61 -1.991 5.681 -0.167 1.00 43.13 H new ATOM 0 HG LEU A 61 -0.711 4.307 2.221 1.00 43.45 H new ATOM 0 HD11 LEU A 61 -1.053 2.227 0.936 1.00 73.24 H new ATOM 0 HD12 LEU A 61 -2.596 3.019 1.333 1.00 73.24 H new ATOM 0 HD13 LEU A 61 -1.927 3.147 -0.311 1.00 73.24 H new ATOM 0 HD21 LEU A 61 0.994 3.569 0.589 1.00 12.34 H new ATOM 0 HD22 LEU A 61 0.201 4.545 -0.671 1.00 12.34 H new ATOM 0 HD23 LEU A 61 0.945 5.342 0.736 1.00 12.34 H new ATOM 907 N ASN A 62 -3.173 8.354 1.334 1.00 72.33 N ATOM 908 CA ASN A 62 -4.006 9.480 0.892 1.00 3.24 C ATOM 909 C ASN A 62 -3.397 10.824 1.315 1.00 4.35 C ATOM 910 O ASN A 62 -3.633 11.851 0.674 1.00 2.24 O ATOM 911 CB ASN A 62 -5.443 9.347 1.417 1.00 32.55 C ATOM 912 CG ASN A 62 -6.233 8.290 0.663 1.00 43.33 C ATOM 913 OD1 ASN A 62 -6.847 8.572 -0.359 1.00 32.43 O ATOM 914 ND2 ASN A 62 -6.231 7.072 1.158 1.00 22.31 N ATOM 0 H ASN A 62 -3.586 7.788 2.075 1.00 72.33 H new ATOM 0 HA ASN A 62 -4.039 9.454 -0.197 1.00 3.24 H new ATOM 0 HB2 ASN A 62 -5.419 9.093 2.477 1.00 32.55 H new ATOM 0 HB3 ASN A 62 -5.950 10.308 1.331 1.00 32.55 H new ATOM 0 HD21 ASN A 62 -6.751 6.330 0.689 1.00 22.31 H new ATOM 0 HD22 ASN A 62 -5.710 6.869 2.011 1.00 22.31 H new ATOM 921 N ALA A 63 -2.603 10.813 2.387 1.00 44.05 N ATOM 922 CA ALA A 63 -1.866 12.007 2.810 1.00 71.43 C ATOM 923 C ALA A 63 -0.924 12.494 1.698 1.00 21.34 C ATOM 924 O ALA A 63 -0.642 13.687 1.589 1.00 3.04 O ATOM 925 CB ALA A 63 -1.083 11.722 4.088 1.00 24.51 C ATOM 0 H ALA A 63 -2.453 9.994 2.977 1.00 44.05 H new ATOM 0 HA ALA A 63 -2.587 12.799 3.012 1.00 71.43 H new ATOM 0 HB1 ALA A 63 -0.541 12.618 4.390 1.00 24.51 H new ATOM 0 HB2 ALA A 63 -1.773 11.431 4.880 1.00 24.51 H new ATOM 0 HB3 ALA A 63 -0.375 10.913 3.908 1.00 24.51 H new ATOM 931 N LEU A 64 -0.447 11.559 0.869 1.00 21.32 N ATOM 932 CA LEU A 64 0.384 11.890 -0.298 1.00 70.41 C ATOM 933 C LEU A 64 -0.391 12.747 -1.312 1.00 62.03 C ATOM 934 O LEU A 64 0.184 13.588 -2.003 1.00 55.01 O ATOM 935 CB LEU A 64 0.872 10.605 -0.984 1.00 25.42 C ATOM 936 CG LEU A 64 1.675 9.643 -0.095 1.00 1.55 C ATOM 937 CD1 LEU A 64 1.985 8.351 -0.848 1.00 52.53 C ATOM 938 CD2 LEU A 64 2.957 10.309 0.398 1.00 3.12 C ATOM 0 H LEU A 64 -0.623 10.561 0.984 1.00 21.32 H new ATOM 0 HA LEU A 64 1.240 12.464 0.058 1.00 70.41 H new ATOM 0 HB2 LEU A 64 0.006 10.072 -1.376 1.00 25.42 H new ATOM 0 HB3 LEU A 64 1.489 10.882 -1.839 1.00 25.42 H new ATOM 0 HG LEU A 64 1.070 9.391 0.776 1.00 1.55 H new ATOM 0 HD11 LEU A 64 2.554 7.682 -0.203 1.00 52.53 H new ATOM 0 HD12 LEU A 64 1.053 7.868 -1.140 1.00 52.53 H new ATOM 0 HD13 LEU A 64 2.570 8.580 -1.739 1.00 52.53 H new ATOM 0 HD21 LEU A 64 3.511 9.611 1.026 1.00 3.12 H new ATOM 0 HD22 LEU A 64 3.571 10.594 -0.457 1.00 3.12 H new ATOM 0 HD23 LEU A 64 2.706 11.198 0.977 1.00 3.12 H new ATOM 950 N ALA A 65 -1.700 12.515 -1.402 1.00 1.42 N ATOM 951 CA ALA A 65 -2.565 13.272 -2.311 1.00 34.11 C ATOM 952 C ALA A 65 -2.900 14.657 -1.738 1.00 24.03 C ATOM 953 O ALA A 65 -2.965 15.651 -2.464 1.00 34.13 O ATOM 954 CB ALA A 65 -3.844 12.487 -2.590 1.00 31.10 C ATOM 0 H ALA A 65 -2.188 11.806 -0.855 1.00 1.42 H new ATOM 0 HA ALA A 65 -2.027 13.421 -3.247 1.00 34.11 H new ATOM 0 HB1 ALA A 65 -4.481 13.057 -3.266 1.00 31.10 H new ATOM 0 HB2 ALA A 65 -3.591 11.531 -3.049 1.00 31.10 H new ATOM 0 HB3 ALA A 65 -4.374 12.311 -1.654 1.00 31.10 H new ATOM 960 N LEU A 66 -3.111 14.715 -0.427 1.00 75.42 N ATOM 961 CA LEU A 66 -3.415 15.976 0.253 1.00 65.51 C ATOM 962 C LEU A 66 -2.169 16.866 0.368 1.00 61.32 C ATOM 963 O LEU A 66 -2.263 18.086 0.256 1.00 50.45 O ATOM 964 CB LEU A 66 -3.993 15.694 1.648 1.00 55.42 C ATOM 965 CG LEU A 66 -5.276 14.847 1.669 1.00 64.03 C ATOM 966 CD1 LEU A 66 -5.736 14.596 3.102 1.00 35.45 C ATOM 967 CD2 LEU A 66 -6.379 15.518 0.854 1.00 1.02 C ATOM 0 H LEU A 66 -3.078 13.903 0.190 1.00 75.42 H new ATOM 0 HA LEU A 66 -4.154 16.511 -0.344 1.00 65.51 H new ATOM 0 HB2 LEU A 66 -3.233 15.187 2.242 1.00 55.42 H new ATOM 0 HB3 LEU A 66 -4.198 16.646 2.138 1.00 55.42 H new ATOM 0 HG LEU A 66 -5.055 13.883 1.212 1.00 64.03 H new ATOM 0 HD11 LEU A 66 -6.645 13.995 3.092 1.00 35.45 H new ATOM 0 HD12 LEU A 66 -4.956 14.065 3.647 1.00 35.45 H new ATOM 0 HD13 LEU A 66 -5.936 15.549 3.592 1.00 35.45 H new ATOM 0 HD21 LEU A 66 -7.278 14.902 0.882 1.00 1.02 H new ATOM 0 HD22 LEU A 66 -6.598 16.499 1.276 1.00 1.02 H new ATOM 0 HD23 LEU A 66 -6.050 15.633 -0.179 1.00 1.02 H new ATOM 979 N GLU A 67 -1.009 16.233 0.591 1.00 62.00 N ATOM 980 CA GLU A 67 0.286 16.927 0.750 1.00 31.41 C ATOM 981 C GLU A 67 0.353 17.794 2.019 1.00 14.35 C ATOM 982 O GLU A 67 1.154 17.528 2.915 1.00 12.23 O ATOM 983 CB GLU A 67 0.625 17.795 -0.473 1.00 11.44 C ATOM 984 CG GLU A 67 0.821 17.012 -1.766 1.00 64.53 C ATOM 985 CD GLU A 67 1.489 17.849 -2.846 1.00 41.00 C ATOM 986 OE1 GLU A 67 0.779 18.547 -3.603 1.00 52.20 O ATOM 987 OE2 GLU A 67 2.736 17.824 -2.933 1.00 74.12 O ATOM 0 H GLU A 67 -0.937 15.218 0.667 1.00 62.00 H new ATOM 0 HA GLU A 67 1.025 16.132 0.844 1.00 31.41 H new ATOM 0 HB2 GLU A 67 -0.174 18.522 -0.620 1.00 11.44 H new ATOM 0 HB3 GLU A 67 1.534 18.359 -0.263 1.00 11.44 H new ATOM 0 HG2 GLU A 67 1.427 16.128 -1.566 1.00 64.53 H new ATOM 0 HG3 GLU A 67 -0.146 16.660 -2.126 1.00 64.53 H new ATOM 994 N HIS A 68 -0.481 18.835 2.068 1.00 61.33 N ATOM 995 CA HIS A 68 -0.471 19.829 3.151 1.00 73.33 C ATOM 996 C HIS A 68 -0.386 19.227 4.573 1.00 32.24 C ATOM 997 O HIS A 68 -1.398 18.936 5.205 1.00 73.10 O ATOM 998 CB HIS A 68 -1.704 20.745 3.032 1.00 33.43 C ATOM 999 CG HIS A 68 -3.005 20.021 2.811 1.00 62.04 C ATOM 1000 ND1 HIS A 68 -3.695 20.068 1.619 1.00 33.01 N ATOM 1001 CD2 HIS A 68 -3.756 19.250 3.637 1.00 14.12 C ATOM 1002 CE1 HIS A 68 -4.805 19.367 1.721 1.00 51.42 C ATOM 1003 NE2 HIS A 68 -4.866 18.859 2.933 1.00 4.25 N ATOM 0 H HIS A 68 -1.187 19.016 1.355 1.00 61.33 H new ATOM 0 HA HIS A 68 0.446 20.403 3.022 1.00 73.33 H new ATOM 0 HB2 HIS A 68 -1.786 21.342 3.940 1.00 33.43 H new ATOM 0 HB3 HIS A 68 -1.546 21.440 2.207 1.00 33.43 H new ATOM 0 HD2 HIS A 68 -3.523 18.992 4.659 1.00 14.12 H new ATOM 0 HE1 HIS A 68 -5.541 19.232 0.942 1.00 51.42 H new ATOM 0 HE2 HIS A 68 -5.617 18.270 3.291 1.00 4.25 H new ATOM 1012 N HIS A 69 0.839 19.030 5.054 1.00 2.32 N ATOM 1013 CA HIS A 69 1.082 18.736 6.468 1.00 41.21 C ATOM 1014 C HIS A 69 1.544 20.013 7.185 1.00 13.14 C ATOM 1015 O HIS A 69 2.537 20.630 6.793 1.00 62.32 O ATOM 1016 CB HIS A 69 2.133 17.627 6.637 1.00 72.03 C ATOM 1017 CG HIS A 69 1.640 16.249 6.301 1.00 62.41 C ATOM 1018 ND1 HIS A 69 0.983 15.444 7.205 1.00 53.01 N ATOM 1019 CD2 HIS A 69 1.740 15.522 5.161 1.00 14.41 C ATOM 1020 CE1 HIS A 69 0.703 14.287 6.643 1.00 42.21 C ATOM 1021 NE2 HIS A 69 1.148 14.305 5.403 1.00 3.30 N ATOM 0 H HIS A 69 1.684 19.068 4.484 1.00 2.32 H new ATOM 0 HA HIS A 69 0.151 18.382 6.910 1.00 41.21 H new ATOM 0 HB2 HIS A 69 2.991 17.857 6.005 1.00 72.03 H new ATOM 0 HB3 HIS A 69 2.486 17.632 7.668 1.00 72.03 H new ATOM 0 HD1 HIS A 69 0.749 15.704 8.163 1.00 53.01 H new ATOM 0 HD2 HIS A 69 2.199 15.839 4.236 1.00 14.41 H new ATOM 0 HE1 HIS A 69 0.194 13.462 7.118 1.00 42.21 H new ATOM 1030 N HIS A 70 0.820 20.412 8.225 1.00 1.05 N ATOM 1031 CA HIS A 70 1.109 21.667 8.929 1.00 45.41 C ATOM 1032 C HIS A 70 2.394 21.566 9.769 1.00 3.05 C ATOM 1033 O HIS A 70 2.571 20.623 10.542 1.00 2.52 O ATOM 1034 CB HIS A 70 -0.076 22.062 9.819 1.00 70.13 C ATOM 1035 CG HIS A 70 -1.355 22.254 9.058 1.00 53.30 C ATOM 1036 ND1 HIS A 70 -2.533 21.626 9.394 1.00 71.12 N ATOM 1037 CD2 HIS A 70 -1.636 23.010 7.969 1.00 23.31 C ATOM 1038 CE1 HIS A 70 -3.478 21.982 8.548 1.00 73.34 C ATOM 1039 NE2 HIS A 70 -2.964 22.820 7.673 1.00 63.54 N ATOM 0 H HIS A 70 0.029 19.890 8.602 1.00 1.05 H new ATOM 0 HA HIS A 70 1.265 22.439 8.176 1.00 45.41 H new ATOM 0 HB2 HIS A 70 -0.225 21.292 10.576 1.00 70.13 H new ATOM 0 HB3 HIS A 70 0.167 22.985 10.346 1.00 70.13 H new ATOM 0 HD2 HIS A 70 -0.945 23.644 7.434 1.00 23.31 H new ATOM 0 HE1 HIS A 70 -4.503 21.643 8.569 1.00 73.34 H new ATOM 0 HE2 HIS A 70 -3.469 23.257 6.902 1.00 63.54 H new ATOM 1048 N HIS A 71 3.286 22.546 9.608 1.00 40.44 N ATOM 1049 CA HIS A 71 4.548 22.586 10.356 1.00 60.12 C ATOM 1050 C HIS A 71 4.290 22.785 11.860 1.00 31.32 C ATOM 1051 O HIS A 71 4.871 22.098 12.697 1.00 22.43 O ATOM 1052 CB HIS A 71 5.442 23.711 9.815 1.00 23.03 C ATOM 1053 CG HIS A 71 6.755 23.829 10.525 1.00 42.05 C ATOM 1054 ND1 HIS A 71 7.028 24.821 11.441 1.00 2.32 N ATOM 1055 CD2 HIS A 71 7.874 23.072 10.455 1.00 52.15 C ATOM 1056 CE1 HIS A 71 8.250 24.670 11.901 1.00 55.21 C ATOM 1057 NE2 HIS A 71 8.785 23.619 11.321 1.00 63.15 N ATOM 0 H HIS A 71 3.158 23.326 8.964 1.00 40.44 H new ATOM 0 HA HIS A 71 5.057 21.631 10.224 1.00 60.12 H new ATOM 0 HB2 HIS A 71 5.626 23.539 8.755 1.00 23.03 H new ATOM 0 HB3 HIS A 71 4.909 24.658 9.896 1.00 23.03 H new ATOM 0 HD2 HIS A 71 8.022 22.201 9.834 1.00 52.15 H new ATOM 0 HE1 HIS A 71 8.733 25.302 12.632 1.00 55.21 H new ATOM 0 HE2 HIS A 71 9.727 23.267 11.488 1.00 63.15 H new ATOM 1066 N HIS A 72 3.414 23.732 12.188 1.00 53.24 N ATOM 1067 CA HIS A 72 3.020 23.980 13.577 1.00 22.22 C ATOM 1068 C HIS A 72 1.549 24.418 13.654 1.00 35.55 C ATOM 1069 O HIS A 72 1.129 25.348 12.959 1.00 50.11 O ATOM 1070 CB HIS A 72 3.922 25.047 14.213 1.00 3.03 C ATOM 1071 CG HIS A 72 3.625 25.293 15.662 1.00 51.23 C ATOM 1072 ND1 HIS A 72 2.805 26.311 16.099 1.00 32.02 N ATOM 1073 CD2 HIS A 72 4.040 24.644 16.776 1.00 73.32 C ATOM 1074 CE1 HIS A 72 2.728 26.278 17.413 1.00 32.44 C ATOM 1075 NE2 HIS A 72 3.465 25.278 17.849 1.00 54.44 N ATOM 0 H HIS A 72 2.961 24.344 11.509 1.00 53.24 H new ATOM 0 HA HIS A 72 3.136 23.049 14.132 1.00 22.22 H new ATOM 0 HB2 HIS A 72 4.963 24.740 14.110 1.00 3.03 H new ATOM 0 HB3 HIS A 72 3.810 25.981 13.663 1.00 3.03 H new ATOM 0 HD2 HIS A 72 4.699 23.789 16.813 1.00 73.32 H new ATOM 0 HE1 HIS A 72 2.157 26.957 18.029 1.00 32.44 H new ATOM 0 HE2 HIS A 72 3.589 25.016 18.827 1.00 54.44 H new ATOM 1084 N HIS A 73 0.777 23.746 14.505 1.00 73.33 N ATOM 1085 CA HIS A 73 -0.647 24.061 14.686 1.00 24.10 C ATOM 1086 C HIS A 73 -0.844 25.405 15.424 1.00 75.13 C ATOM 1087 O HIS A 73 -0.718 25.434 16.667 1.00 38.46 O ATOM 1088 CB HIS A 73 -1.337 22.922 15.448 1.00 3.44 C ATOM 1089 CG HIS A 73 -2.795 23.163 15.691 1.00 41.42 C ATOM 1090 ND1 HIS A 73 -3.267 23.832 16.797 1.00 35.34 N ATOM 1091 CD2 HIS A 73 -3.888 22.834 14.962 1.00 33.20 C ATOM 1092 CE1 HIS A 73 -4.579 23.904 16.740 1.00 42.43 C ATOM 1093 NE2 HIS A 73 -4.983 23.309 15.639 1.00 13.35 N ATOM 1094 OXT HIS A 73 -1.131 26.423 14.751 1.00 38.46 O ATOM 0 H HIS A 73 1.111 22.976 15.084 1.00 73.33 H new ATOM 0 HA HIS A 73 -1.101 24.162 13.700 1.00 24.10 H new ATOM 0 HB2 HIS A 73 -1.219 21.996 14.886 1.00 3.44 H new ATOM 0 HB3 HIS A 73 -0.836 22.780 16.405 1.00 3.44 H new ATOM 0 HD2 HIS A 73 -3.896 22.298 14.024 1.00 33.20 H new ATOM 0 HE1 HIS A 73 -5.217 24.373 17.474 1.00 42.43 H new ATOM 0 HE2 HIS A 73 -5.953 23.216 15.337 1.00 13.35 H new TER 1103 HIS A 73