USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 600 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 6 HIS : no HD1:sc= -0.0714 X(o=-1.4,f=-1.3) USER MOD Set 1.2: A 53 GLN : amide:sc= 0.294 K(o=-1.4,f=-2) USER MOD Set 1.3: A 54 ASN : amide:sc= -1.62! K(o=-1.4!,f=-2.1) USER MOD Set 2.1: A 9 SER OG : rot -66:sc= 0.299 USER MOD Set 2.2: A 11 MET CE :methyl -129:sc= -0.0083 (180deg=-1.76) USER MOD Set 2.3: A 44 THR OG1 : rot -140:sc= -0.446 USER MOD Set 2.4: A 47 GLN : amide:sc= 0.341 K(o=0.19,f=-4.3!) USER MOD Set 3.1: A 28 TYR OH : rot 180:sc= -0.413 USER MOD Set 3.2: A 65 SER OG : rot 140:sc= 0 USER MOD Single : A 1 MET CE :methyl -160:sc= -0.164 (180deg=-0.714) USER MOD Single : A 1 MET N :NH3+ -133:sc= 0.0521 (180deg=-0.325) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HE2:sc= -0.214 K(o=-0.21,f=-0.82) USER MOD Single : A 5 HIS : no HD1:sc= -0.0185 X(o=-0.019,f=-0.052) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 HIS : no HD1:sc=-0.00132 X(o=-0.0013,f=-0.094) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HD1:sc= -0.041 X(o=-0.041,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -1.75! C(o=-1.7!,f=-2.5!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 65:sc= 0.953 USER MOD Single : A 25 HIS :FLIP no HE2:sc= 0.2 F(o=-0.7,f=0.2) USER MOD Single : A 26 GLN : amide:sc= -0.0195 X(o=-0.02,f=-0.034) USER MOD Single : A 27 LYS NZ :NH3+ 172:sc= 0.87 (180deg=0.81) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= -0.0303 X(o=-0.03,f=-0.0034) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -0.171 X(o=-0.17,f=-0.64) USER MOD Single : A 42 LYS NZ :NH3+ -157:sc= 0.57 (180deg=0.259) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -132:sc= -1.92 (180deg=-4.25!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0148) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.027 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 138:sc= -0.691 (180deg=-2.76!) USER MOD Single : A 63 GLN : amide:sc= 0.0776 K(o=0.078,f=-6.4!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.502 -11.299 20.483 1.00 0.00 N ATOM 2 CA MET A 1 16.953 -12.489 19.774 1.00 22.01 C ATOM 3 C MET A 1 15.774 -12.090 18.850 1.00 21.41 C ATOM 4 O MET A 1 15.378 -10.918 18.807 1.00 54.42 O ATOM 5 CB MET A 1 16.502 -13.556 20.808 1.00 42.02 C ATOM 6 CG MET A 1 17.608 -14.027 21.761 1.00 10.53 C ATOM 7 SD MET A 1 17.012 -15.202 23.000 1.00 14.22 S ATOM 8 CE MET A 1 15.767 -14.231 23.859 1.00 13.53 C ATOM 0 H1 MET A 1 18.540 -11.302 20.414 1.00 0.00 H new ATOM 0 H2 MET A 1 17.128 -10.432 20.047 1.00 0.00 H new ATOM 0 H3 MET A 1 17.222 -11.332 21.484 1.00 0.00 H new ATOM 0 HA MET A 1 17.737 -12.913 19.147 1.00 22.01 H new ATOM 0 HB2 MET A 1 15.681 -13.148 21.398 1.00 42.02 H new ATOM 0 HB3 MET A 1 16.110 -14.420 20.272 1.00 42.02 H new ATOM 0 HG2 MET A 1 18.407 -14.490 21.182 1.00 10.53 H new ATOM 0 HG3 MET A 1 18.040 -13.162 22.265 1.00 10.53 H new ATOM 0 HE1 MET A 1 15.574 -14.670 24.838 1.00 13.53 H new ATOM 0 HE2 MET A 1 16.125 -13.209 23.984 1.00 13.53 H new ATOM 0 HE3 MET A 1 14.846 -14.224 23.277 1.00 13.53 H new ATOM 20 N GLY A 2 15.221 -13.083 18.121 1.00 50.44 N ATOM 21 CA GLY A 2 14.116 -12.855 17.175 1.00 10.13 C ATOM 22 C GLY A 2 14.598 -12.287 15.835 1.00 32.14 C ATOM 23 O GLY A 2 14.809 -11.076 15.710 1.00 11.15 O ATOM 0 H GLY A 2 15.527 -14.055 18.173 1.00 50.44 H new ATOM 0 HA2 GLY A 2 13.592 -13.795 17.000 1.00 10.13 H new ATOM 0 HA3 GLY A 2 13.397 -12.167 17.620 1.00 10.13 H new ATOM 27 N HIS A 3 14.787 -13.169 14.835 1.00 61.44 N ATOM 28 CA HIS A 3 15.263 -12.776 13.490 1.00 41.31 C ATOM 29 C HIS A 3 14.157 -12.022 12.697 1.00 30.04 C ATOM 30 O HIS A 3 13.355 -12.634 11.983 1.00 22.12 O ATOM 31 CB HIS A 3 15.759 -14.024 12.705 1.00 52.45 C ATOM 32 CG HIS A 3 16.974 -14.701 13.303 1.00 63.53 C ATOM 33 ND1 HIS A 3 18.245 -14.575 12.776 1.00 32.11 N ATOM 34 CD2 HIS A 3 17.109 -15.520 14.380 1.00 75.52 C ATOM 35 CE1 HIS A 3 19.094 -15.278 13.496 1.00 21.31 C ATOM 36 NE2 HIS A 3 18.434 -15.861 14.473 1.00 3.42 N ATOM 0 H HIS A 3 14.616 -14.170 14.933 1.00 61.44 H new ATOM 0 HA HIS A 3 16.102 -12.091 13.614 1.00 41.31 H new ATOM 0 HB2 HIS A 3 14.946 -14.748 12.649 1.00 52.45 H new ATOM 0 HB3 HIS A 3 15.992 -13.726 11.683 1.00 52.45 H new ATOM 0 HD2 HIS A 3 16.318 -15.843 15.041 1.00 75.52 H new ATOM 0 HE1 HIS A 3 20.155 -15.362 13.315 1.00 21.31 H new ATOM 0 HE2 HIS A 3 18.841 -16.468 15.184 1.00 3.42 H new ATOM 45 N HIS A 4 14.107 -10.690 12.866 1.00 1.23 N ATOM 46 CA HIS A 4 13.136 -9.825 12.159 1.00 22.33 C ATOM 47 C HIS A 4 13.753 -9.216 10.872 1.00 61.30 C ATOM 48 O HIS A 4 14.714 -8.436 10.924 1.00 33.12 O ATOM 49 CB HIS A 4 12.587 -8.724 13.107 1.00 60.22 C ATOM 50 CG HIS A 4 13.629 -7.923 13.846 1.00 32.22 C ATOM 51 ND1 HIS A 4 14.338 -6.889 13.273 1.00 30.45 N ATOM 52 CD2 HIS A 4 14.059 -7.991 15.124 1.00 13.32 C ATOM 53 CE1 HIS A 4 15.152 -6.370 14.161 1.00 61.24 C ATOM 54 NE2 HIS A 4 15.000 -7.015 15.293 1.00 20.31 N ATOM 0 H HIS A 4 14.732 -10.181 13.491 1.00 1.23 H new ATOM 0 HA HIS A 4 12.295 -10.446 11.849 1.00 22.33 H new ATOM 0 HB2 HIS A 4 11.974 -8.038 12.522 1.00 60.22 H new ATOM 0 HB3 HIS A 4 11.929 -9.194 13.838 1.00 60.22 H new ATOM 0 HD1 HIS A 4 14.244 -6.576 12.307 1.00 30.45 H new ATOM 0 HD2 HIS A 4 13.721 -8.689 15.875 1.00 13.32 H new ATOM 0 HE1 HIS A 4 15.833 -5.550 13.989 1.00 61.24 H new ATOM 63 N HIS A 5 13.192 -9.603 9.718 1.00 51.12 N ATOM 64 CA HIS A 5 13.590 -9.092 8.392 1.00 25.30 C ATOM 65 C HIS A 5 12.341 -8.626 7.616 1.00 23.32 C ATOM 66 O HIS A 5 11.495 -9.446 7.250 1.00 64.44 O ATOM 67 CB HIS A 5 14.351 -10.189 7.599 1.00 53.41 C ATOM 68 CG HIS A 5 14.609 -9.839 6.146 1.00 24.12 C ATOM 69 ND1 HIS A 5 13.779 -10.242 5.121 1.00 13.12 N ATOM 70 CD2 HIS A 5 15.586 -9.104 5.551 1.00 72.24 C ATOM 71 CE1 HIS A 5 14.226 -9.779 3.981 1.00 2.15 C ATOM 72 NE2 HIS A 5 15.317 -9.085 4.209 1.00 2.34 N ATOM 0 H HIS A 5 12.438 -10.289 9.675 1.00 51.12 H new ATOM 0 HA HIS A 5 14.258 -8.241 8.523 1.00 25.30 H new ATOM 0 HB2 HIS A 5 15.305 -10.381 8.090 1.00 53.41 H new ATOM 0 HB3 HIS A 5 13.779 -11.116 7.642 1.00 53.41 H new ATOM 0 HD2 HIS A 5 16.418 -8.625 6.045 1.00 72.24 H new ATOM 0 HE1 HIS A 5 13.773 -9.941 3.014 1.00 2.15 H new ATOM 0 HE2 HIS A 5 15.874 -8.608 3.500 1.00 2.34 H new ATOM 81 N HIS A 6 12.220 -7.306 7.401 1.00 52.11 N ATOM 82 CA HIS A 6 11.181 -6.735 6.526 1.00 11.01 C ATOM 83 C HIS A 6 11.637 -6.846 5.048 1.00 12.33 C ATOM 84 O HIS A 6 12.670 -6.270 4.668 1.00 15.24 O ATOM 85 CB HIS A 6 10.915 -5.257 6.900 1.00 14.05 C ATOM 86 CG HIS A 6 10.446 -5.016 8.312 1.00 43.35 C ATOM 87 ND1 HIS A 6 10.686 -3.836 8.989 1.00 51.15 N ATOM 88 CD2 HIS A 6 9.710 -5.776 9.158 1.00 32.05 C ATOM 89 CE1 HIS A 6 10.122 -3.883 10.174 1.00 43.32 C ATOM 90 NE2 HIS A 6 9.523 -5.046 10.301 1.00 35.42 N ATOM 0 H HIS A 6 12.833 -6.609 7.824 1.00 52.11 H new ATOM 0 HA HIS A 6 10.253 -7.291 6.658 1.00 11.01 H new ATOM 0 HB2 HIS A 6 11.832 -4.690 6.739 1.00 14.05 H new ATOM 0 HB3 HIS A 6 10.168 -4.856 6.215 1.00 14.05 H new ATOM 0 HD2 HIS A 6 9.340 -6.772 8.966 1.00 32.05 H new ATOM 0 HE1 HIS A 6 10.146 -3.100 10.917 1.00 43.32 H new ATOM 0 HE2 HIS A 6 9.002 -5.356 11.121 1.00 35.42 H new ATOM 99 N HIS A 7 10.883 -7.607 4.228 1.00 4.24 N ATOM 100 CA HIS A 7 11.230 -7.835 2.811 1.00 4.03 C ATOM 101 C HIS A 7 11.047 -6.546 1.972 1.00 43.51 C ATOM 102 O HIS A 7 9.926 -6.053 1.813 1.00 24.44 O ATOM 103 CB HIS A 7 10.389 -8.988 2.211 1.00 70.14 C ATOM 104 CG HIS A 7 10.740 -9.311 0.776 1.00 2.10 C ATOM 105 ND1 HIS A 7 10.171 -8.664 -0.305 1.00 65.32 N ATOM 106 CD2 HIS A 7 11.632 -10.187 0.248 1.00 22.11 C ATOM 107 CE1 HIS A 7 10.693 -9.125 -1.416 1.00 11.51 C ATOM 108 NE2 HIS A 7 11.582 -10.044 -1.113 1.00 22.33 N ATOM 0 H HIS A 7 10.027 -8.075 4.525 1.00 4.24 H new ATOM 0 HA HIS A 7 12.282 -8.119 2.775 1.00 4.03 H new ATOM 0 HB2 HIS A 7 10.527 -9.882 2.820 1.00 70.14 H new ATOM 0 HB3 HIS A 7 9.333 -8.724 2.267 1.00 70.14 H new ATOM 0 HD2 HIS A 7 12.263 -10.869 0.798 1.00 22.11 H new ATOM 0 HE1 HIS A 7 10.435 -8.803 -2.414 1.00 11.51 H new ATOM 0 HE2 HIS A 7 12.145 -10.567 -1.784 1.00 22.33 H new ATOM 117 N HIS A 8 12.165 -6.024 1.440 1.00 13.14 N ATOM 118 CA HIS A 8 12.169 -4.829 0.578 1.00 33.33 C ATOM 119 C HIS A 8 11.504 -5.135 -0.784 1.00 32.43 C ATOM 120 O HIS A 8 12.143 -5.655 -1.710 1.00 73.34 O ATOM 121 CB HIS A 8 13.610 -4.301 0.369 1.00 34.40 C ATOM 122 CG HIS A 8 14.356 -4.039 1.645 1.00 34.30 C ATOM 123 ND1 HIS A 8 14.237 -2.874 2.367 1.00 61.42 N ATOM 124 CD2 HIS A 8 15.241 -4.803 2.326 1.00 2.02 C ATOM 125 CE1 HIS A 8 15.009 -2.940 3.428 1.00 40.45 C ATOM 126 NE2 HIS A 8 15.629 -4.097 3.427 1.00 22.35 N ATOM 0 H HIS A 8 13.093 -6.419 1.595 1.00 13.14 H new ATOM 0 HA HIS A 8 11.591 -4.053 1.079 1.00 33.33 H new ATOM 0 HB2 HIS A 8 14.169 -5.025 -0.224 1.00 34.40 H new ATOM 0 HB3 HIS A 8 13.567 -3.379 -0.211 1.00 34.40 H new ATOM 0 HD2 HIS A 8 15.578 -5.791 2.049 1.00 2.02 H new ATOM 0 HE1 HIS A 8 15.116 -2.170 4.177 1.00 40.45 H new ATOM 0 HE2 HIS A 8 16.292 -4.416 4.133 1.00 22.35 H new ATOM 135 N SER A 9 10.196 -4.863 -0.863 1.00 71.44 N ATOM 136 CA SER A 9 9.424 -5.017 -2.103 1.00 34.11 C ATOM 137 C SER A 9 9.841 -3.944 -3.130 1.00 13.10 C ATOM 138 O SER A 9 9.517 -2.763 -2.961 1.00 11.54 O ATOM 139 CB SER A 9 7.910 -4.922 -1.819 1.00 12.14 C ATOM 140 OG SER A 9 7.153 -5.118 -3.004 1.00 75.34 O ATOM 0 H SER A 9 9.644 -4.531 -0.072 1.00 71.44 H new ATOM 0 HA SER A 9 9.636 -6.003 -2.518 1.00 34.11 H new ATOM 0 HB2 SER A 9 7.629 -5.669 -1.077 1.00 12.14 H new ATOM 0 HB3 SER A 9 7.678 -3.946 -1.393 1.00 12.14 H new ATOM 0 HG SER A 9 7.319 -4.377 -3.624 1.00 75.34 H new ATOM 146 N HIS A 10 10.591 -4.362 -4.166 1.00 1.52 N ATOM 147 CA HIS A 10 11.042 -3.463 -5.249 1.00 23.13 C ATOM 148 C HIS A 10 9.830 -2.909 -6.026 1.00 2.23 C ATOM 149 O HIS A 10 8.957 -3.667 -6.462 1.00 74.21 O ATOM 150 CB HIS A 10 12.010 -4.195 -6.206 1.00 73.14 C ATOM 151 CG HIS A 10 13.191 -4.822 -5.516 1.00 43.03 C ATOM 152 ND1 HIS A 10 13.215 -6.143 -5.129 1.00 43.14 N ATOM 153 CD2 HIS A 10 14.388 -4.305 -5.135 1.00 32.45 C ATOM 154 CE1 HIS A 10 14.359 -6.410 -4.546 1.00 0.24 C ATOM 155 NE2 HIS A 10 15.092 -5.318 -4.537 1.00 70.15 N ATOM 0 H HIS A 10 10.901 -5.327 -4.278 1.00 1.52 H new ATOM 0 HA HIS A 10 11.579 -2.628 -4.798 1.00 23.13 H new ATOM 0 HB2 HIS A 10 11.460 -4.970 -6.740 1.00 73.14 H new ATOM 0 HB3 HIS A 10 12.371 -3.488 -6.953 1.00 73.14 H new ATOM 0 HD2 HIS A 10 14.722 -3.288 -5.277 1.00 32.45 H new ATOM 0 HE1 HIS A 10 14.651 -7.368 -4.141 1.00 0.24 H new ATOM 0 HE2 HIS A 10 16.032 -5.238 -4.148 1.00 70.15 H new ATOM 164 N MET A 11 9.811 -1.583 -6.216 1.00 14.03 N ATOM 165 CA MET A 11 8.633 -0.840 -6.724 1.00 73.22 C ATOM 166 C MET A 11 9.095 0.348 -7.591 1.00 73.40 C ATOM 167 O MET A 11 10.195 0.888 -7.395 1.00 23.50 O ATOM 168 CB MET A 11 7.727 -0.323 -5.554 1.00 2.33 C ATOM 169 CG MET A 11 7.026 -1.409 -4.714 1.00 11.34 C ATOM 170 SD MET A 11 6.196 -0.724 -3.267 1.00 73.51 S ATOM 171 CE MET A 11 5.452 -2.178 -2.519 1.00 51.13 C ATOM 0 H MET A 11 10.614 -0.985 -6.022 1.00 14.03 H new ATOM 0 HA MET A 11 8.041 -1.527 -7.328 1.00 73.22 H new ATOM 0 HB2 MET A 11 8.339 0.285 -4.888 1.00 2.33 H new ATOM 0 HB3 MET A 11 6.964 0.333 -5.974 1.00 2.33 H new ATOM 0 HG2 MET A 11 6.298 -1.932 -5.334 1.00 11.34 H new ATOM 0 HG3 MET A 11 7.760 -2.148 -4.393 1.00 11.34 H new ATOM 0 HE1 MET A 11 4.395 -1.989 -2.329 1.00 51.13 H new ATOM 0 HE2 MET A 11 5.553 -3.027 -3.195 1.00 51.13 H new ATOM 0 HE3 MET A 11 5.955 -2.401 -1.578 1.00 51.13 H new ATOM 181 N SER A 12 8.235 0.765 -8.527 1.00 0.25 N ATOM 182 CA SER A 12 8.517 1.922 -9.411 1.00 71.14 C ATOM 183 C SER A 12 8.114 3.225 -8.691 1.00 71.54 C ATOM 184 O SER A 12 7.249 3.190 -7.813 1.00 13.34 O ATOM 185 CB SER A 12 7.760 1.776 -10.749 1.00 72.34 C ATOM 186 OG SER A 12 8.113 2.806 -11.655 1.00 54.14 O ATOM 0 H SER A 12 7.332 0.322 -8.699 1.00 0.25 H new ATOM 0 HA SER A 12 9.584 1.956 -9.633 1.00 71.14 H new ATOM 0 HB2 SER A 12 7.985 0.806 -11.192 1.00 72.34 H new ATOM 0 HB3 SER A 12 6.686 1.802 -10.566 1.00 72.34 H new ATOM 0 HG SER A 12 7.620 2.687 -12.494 1.00 54.14 H new ATOM 192 N HIS A 13 8.738 4.370 -9.058 1.00 4.31 N ATOM 193 CA HIS A 13 8.524 5.660 -8.355 1.00 64.34 C ATOM 194 C HIS A 13 7.032 6.088 -8.372 1.00 13.41 C ATOM 195 O HIS A 13 6.502 6.521 -7.347 1.00 53.40 O ATOM 196 CB HIS A 13 9.417 6.775 -8.951 1.00 60.53 C ATOM 197 CG HIS A 13 9.347 8.086 -8.198 1.00 11.02 C ATOM 198 ND1 HIS A 13 10.092 8.345 -7.068 1.00 61.40 N ATOM 199 CD2 HIS A 13 8.597 9.201 -8.402 1.00 74.43 C ATOM 200 CE1 HIS A 13 9.808 9.547 -6.619 1.00 4.55 C ATOM 201 NE2 HIS A 13 8.906 10.088 -7.408 1.00 62.32 N ATOM 0 H HIS A 13 9.394 4.427 -9.837 1.00 4.31 H new ATOM 0 HA HIS A 13 8.811 5.508 -7.315 1.00 64.34 H new ATOM 0 HB2 HIS A 13 10.451 6.430 -8.965 1.00 60.53 H new ATOM 0 HB3 HIS A 13 9.124 6.946 -9.987 1.00 60.53 H new ATOM 0 HD2 HIS A 13 7.888 9.358 -9.201 1.00 74.43 H new ATOM 0 HE1 HIS A 13 10.243 10.013 -5.747 1.00 4.55 H new ATOM 0 HE2 HIS A 13 8.502 11.018 -7.297 1.00 62.32 H new ATOM 210 N THR A 14 6.369 5.926 -9.537 1.00 54.33 N ATOM 211 CA THR A 14 4.931 6.235 -9.705 1.00 74.13 C ATOM 212 C THR A 14 4.059 5.353 -8.778 1.00 61.03 C ATOM 213 O THR A 14 3.104 5.834 -8.173 1.00 1.54 O ATOM 214 CB THR A 14 4.468 6.028 -11.188 1.00 63.52 C ATOM 215 OG1 THR A 14 5.268 6.832 -12.072 1.00 71.32 O ATOM 216 CG2 THR A 14 2.985 6.386 -11.394 1.00 65.42 C ATOM 0 H THR A 14 6.814 5.578 -10.386 1.00 54.33 H new ATOM 0 HA THR A 14 4.801 7.283 -9.436 1.00 74.13 H new ATOM 0 HB THR A 14 4.596 4.969 -11.414 1.00 63.52 H new ATOM 0 HG1 THR A 14 4.973 6.695 -12.996 1.00 71.32 H new ATOM 0 HG21 THR A 14 2.714 6.226 -12.437 1.00 65.42 H new ATOM 0 HG22 THR A 14 2.366 5.754 -10.757 1.00 65.42 H new ATOM 0 HG23 THR A 14 2.824 7.432 -11.134 1.00 65.42 H new ATOM 224 N GLN A 15 4.438 4.070 -8.666 1.00 34.31 N ATOM 225 CA GLN A 15 3.735 3.066 -7.842 1.00 41.41 C ATOM 226 C GLN A 15 3.810 3.415 -6.339 1.00 71.54 C ATOM 227 O GLN A 15 2.815 3.287 -5.621 1.00 23.03 O ATOM 228 CB GLN A 15 4.360 1.681 -8.116 1.00 30.32 C ATOM 229 CG GLN A 15 3.724 0.494 -7.367 1.00 73.22 C ATOM 230 CD GLN A 15 4.354 -0.841 -7.754 1.00 10.31 C ATOM 231 OE1 GLN A 15 5.539 -0.915 -8.066 1.00 54.21 O ATOM 232 NE2 GLN A 15 3.582 -1.902 -7.765 1.00 21.34 N ATOM 0 H GLN A 15 5.252 3.693 -9.151 1.00 34.31 H new ATOM 0 HA GLN A 15 2.679 3.056 -8.112 1.00 41.41 H new ATOM 0 HB2 GLN A 15 4.302 1.483 -9.186 1.00 30.32 H new ATOM 0 HB3 GLN A 15 5.418 1.724 -7.857 1.00 30.32 H new ATOM 0 HG2 GLN A 15 3.831 0.646 -6.293 1.00 73.22 H new ATOM 0 HG3 GLN A 15 2.655 0.464 -7.580 1.00 73.22 H new ATOM 0 HE21 GLN A 15 2.600 -1.821 -7.502 1.00 21.34 H new ATOM 0 HE22 GLN A 15 3.964 -2.808 -8.036 1.00 21.34 H new ATOM 241 N VAL A 16 5.004 3.857 -5.886 1.00 72.54 N ATOM 242 CA VAL A 16 5.215 4.345 -4.504 1.00 51.11 C ATOM 243 C VAL A 16 4.344 5.592 -4.226 1.00 14.13 C ATOM 244 O VAL A 16 3.773 5.704 -3.144 1.00 24.43 O ATOM 245 CB VAL A 16 6.741 4.652 -4.215 1.00 61.35 C ATOM 246 CG1 VAL A 16 6.980 5.149 -2.761 1.00 24.40 C ATOM 247 CG2 VAL A 16 7.615 3.414 -4.528 1.00 43.33 C ATOM 0 H VAL A 16 5.844 3.886 -6.464 1.00 72.54 H new ATOM 0 HA VAL A 16 4.909 3.548 -3.826 1.00 51.11 H new ATOM 0 HB VAL A 16 7.037 5.465 -4.878 1.00 61.35 H new ATOM 0 HG11 VAL A 16 8.042 5.346 -2.614 1.00 24.40 H new ATOM 0 HG12 VAL A 16 6.415 6.065 -2.592 1.00 24.40 H new ATOM 0 HG13 VAL A 16 6.651 4.385 -2.057 1.00 24.40 H new ATOM 0 HG21 VAL A 16 8.660 3.645 -4.323 1.00 43.33 H new ATOM 0 HG22 VAL A 16 7.299 2.578 -3.904 1.00 43.33 H new ATOM 0 HG23 VAL A 16 7.502 3.145 -5.578 1.00 43.33 H new ATOM 257 N ILE A 17 4.211 6.496 -5.230 1.00 0.21 N ATOM 258 CA ILE A 17 3.294 7.661 -5.150 1.00 13.15 C ATOM 259 C ILE A 17 1.830 7.202 -4.926 1.00 74.11 C ATOM 260 O ILE A 17 1.160 7.728 -4.053 1.00 43.42 O ATOM 261 CB ILE A 17 3.366 8.575 -6.440 1.00 32.31 C ATOM 262 CG1 ILE A 17 4.809 9.131 -6.659 1.00 51.52 C ATOM 263 CG2 ILE A 17 2.339 9.734 -6.373 1.00 72.33 C ATOM 264 CD1 ILE A 17 5.003 9.941 -7.936 1.00 74.14 C ATOM 0 H ILE A 17 4.729 6.439 -6.107 1.00 0.21 H new ATOM 0 HA ILE A 17 3.625 8.253 -4.297 1.00 13.15 H new ATOM 0 HB ILE A 17 3.109 7.949 -7.294 1.00 32.31 H new ATOM 0 HG12 ILE A 17 5.074 9.757 -5.807 1.00 51.52 H new ATOM 0 HG13 ILE A 17 5.507 8.294 -6.669 1.00 51.52 H new ATOM 0 HG21 ILE A 17 2.416 10.341 -7.275 1.00 72.33 H new ATOM 0 HG22 ILE A 17 1.332 9.324 -6.297 1.00 72.33 H new ATOM 0 HG23 ILE A 17 2.546 10.353 -5.500 1.00 72.33 H new ATOM 0 HD11 ILE A 17 6.036 10.283 -7.997 1.00 74.14 H new ATOM 0 HD12 ILE A 17 4.776 9.317 -8.801 1.00 74.14 H new ATOM 0 HD13 ILE A 17 4.336 10.803 -7.925 1.00 74.14 H new ATOM 276 N GLU A 18 1.368 6.198 -5.708 1.00 51.52 N ATOM 277 CA GLU A 18 -0.003 5.632 -5.596 1.00 74.30 C ATOM 278 C GLU A 18 -0.263 5.043 -4.186 1.00 61.54 C ATOM 279 O GLU A 18 -1.328 5.244 -3.595 1.00 40.21 O ATOM 280 CB GLU A 18 -0.224 4.536 -6.673 1.00 13.11 C ATOM 281 CG GLU A 18 0.012 4.987 -8.131 1.00 54.52 C ATOM 282 CD GLU A 18 -0.911 6.131 -8.593 1.00 1.41 C ATOM 283 OE1 GLU A 18 -2.071 5.850 -8.975 1.00 54.31 O ATOM 284 OE2 GLU A 18 -0.489 7.310 -8.569 1.00 52.03 O ATOM 0 H GLU A 18 1.932 5.756 -6.434 1.00 51.52 H new ATOM 0 HA GLU A 18 -0.709 6.446 -5.758 1.00 74.30 H new ATOM 0 HB2 GLU A 18 0.439 3.699 -6.457 1.00 13.11 H new ATOM 0 HB3 GLU A 18 -1.245 4.164 -6.586 1.00 13.11 H new ATOM 0 HG2 GLU A 18 1.049 5.305 -8.238 1.00 54.52 H new ATOM 0 HG3 GLU A 18 -0.129 4.132 -8.792 1.00 54.52 H new ATOM 291 N LEU A 19 0.738 4.312 -3.669 1.00 22.33 N ATOM 292 CA LEU A 19 0.740 3.773 -2.295 1.00 71.11 C ATOM 293 C LEU A 19 0.678 4.913 -1.239 1.00 2.32 C ATOM 294 O LEU A 19 0.017 4.774 -0.213 1.00 41.44 O ATOM 295 CB LEU A 19 2.017 2.919 -2.091 1.00 30.35 C ATOM 296 CG LEU A 19 2.089 1.573 -2.874 1.00 44.44 C ATOM 297 CD1 LEU A 19 3.544 1.087 -3.016 1.00 0.41 C ATOM 298 CD2 LEU A 19 1.210 0.493 -2.206 1.00 1.32 C ATOM 0 H LEU A 19 1.578 4.075 -4.197 1.00 22.33 H new ATOM 0 HA LEU A 19 -0.146 3.153 -2.159 1.00 71.11 H new ATOM 0 HB2 LEU A 19 2.879 3.523 -2.372 1.00 30.35 H new ATOM 0 HB3 LEU A 19 2.114 2.700 -1.028 1.00 30.35 H new ATOM 0 HG LEU A 19 1.698 1.753 -3.875 1.00 44.44 H new ATOM 0 HD11 LEU A 19 3.561 0.146 -3.566 1.00 0.41 H new ATOM 0 HD12 LEU A 19 4.126 1.834 -3.556 1.00 0.41 H new ATOM 0 HD13 LEU A 19 3.975 0.936 -2.026 1.00 0.41 H new ATOM 0 HD21 LEU A 19 1.280 -0.435 -2.774 1.00 1.32 H new ATOM 0 HD22 LEU A 19 1.556 0.322 -1.187 1.00 1.32 H new ATOM 0 HD23 LEU A 19 0.173 0.829 -2.186 1.00 1.32 H new ATOM 310 N GLU A 20 1.385 6.038 -1.517 1.00 53.41 N ATOM 311 CA GLU A 20 1.437 7.221 -0.619 1.00 43.41 C ATOM 312 C GLU A 20 0.121 8.027 -0.642 1.00 43.04 C ATOM 313 O GLU A 20 -0.249 8.640 0.370 1.00 41.30 O ATOM 314 CB GLU A 20 2.651 8.131 -0.961 1.00 22.24 C ATOM 315 CG GLU A 20 4.018 7.515 -0.608 1.00 21.44 C ATOM 316 CD GLU A 20 5.209 8.445 -0.859 1.00 4.43 C ATOM 317 OE1 GLU A 20 5.680 8.531 -2.014 1.00 4.24 O ATOM 318 OE2 GLU A 20 5.682 9.097 0.103 1.00 31.35 O ATOM 0 H GLU A 20 1.935 6.151 -2.369 1.00 53.41 H new ATOM 0 HA GLU A 20 1.567 6.845 0.396 1.00 43.41 H new ATOM 0 HB2 GLU A 20 2.632 8.359 -2.027 1.00 22.24 H new ATOM 0 HB3 GLU A 20 2.543 9.077 -0.431 1.00 22.24 H new ATOM 0 HG2 GLU A 20 4.013 7.225 0.443 1.00 21.44 H new ATOM 0 HG3 GLU A 20 4.154 6.603 -1.190 1.00 21.44 H new ATOM 325 N ARG A 21 -0.577 8.018 -1.797 1.00 10.43 N ATOM 326 CA ARG A 21 -1.930 8.597 -1.927 1.00 61.41 C ATOM 327 C ARG A 21 -2.900 7.864 -0.978 1.00 70.42 C ATOM 328 O ARG A 21 -3.709 8.491 -0.294 1.00 61.53 O ATOM 329 CB ARG A 21 -2.439 8.507 -3.396 1.00 2.32 C ATOM 330 CG ARG A 21 -1.570 9.271 -4.418 1.00 31.12 C ATOM 331 CD ARG A 21 -2.077 9.141 -5.874 1.00 3.41 C ATOM 332 NE ARG A 21 -1.097 9.650 -6.860 1.00 21.04 N ATOM 333 CZ ARG A 21 -1.059 10.869 -7.368 1.00 41.24 C ATOM 334 NH1 ARG A 21 -1.936 11.770 -7.040 1.00 2.40 N ATOM 335 NH2 ARG A 21 -0.123 11.177 -8.211 1.00 52.51 N ATOM 0 H ARG A 21 -0.220 7.611 -2.662 1.00 10.43 H new ATOM 0 HA ARG A 21 -1.884 9.651 -1.653 1.00 61.41 H new ATOM 0 HB2 ARG A 21 -2.485 7.458 -3.688 1.00 2.32 H new ATOM 0 HB3 ARG A 21 -3.457 8.895 -3.440 1.00 2.32 H new ATOM 0 HG2 ARG A 21 -1.542 10.326 -4.144 1.00 31.12 H new ATOM 0 HG3 ARG A 21 -0.547 8.900 -4.363 1.00 31.12 H new ATOM 0 HD2 ARG A 21 -2.294 8.095 -6.088 1.00 3.41 H new ATOM 0 HD3 ARG A 21 -3.013 9.689 -5.980 1.00 3.41 H new ATOM 0 HE ARG A 21 -0.382 8.996 -7.178 1.00 21.04 H new ATOM 0 HH11 ARG A 21 -2.676 11.543 -6.376 1.00 2.40 H new ATOM 0 HH12 ARG A 21 -1.884 12.704 -7.447 1.00 2.40 H new ATOM 0 HH21 ARG A 21 0.574 10.481 -8.476 1.00 52.51 H new ATOM 0 HH22 ARG A 21 -0.084 12.115 -8.609 1.00 52.51 H new ATOM 349 N LYS A 22 -2.758 6.524 -0.932 1.00 50.34 N ATOM 350 CA LYS A 22 -3.539 5.649 -0.037 1.00 71.24 C ATOM 351 C LYS A 22 -3.145 5.860 1.444 1.00 21.32 C ATOM 352 O LYS A 22 -4.007 5.930 2.329 1.00 21.23 O ATOM 353 CB LYS A 22 -3.322 4.166 -0.438 1.00 63.43 C ATOM 354 CG LYS A 22 -4.281 3.177 0.257 1.00 60.33 C ATOM 355 CD LYS A 22 -5.752 3.419 -0.130 1.00 54.43 C ATOM 356 CE LYS A 22 -6.021 3.163 -1.624 1.00 3.42 C ATOM 357 NZ LYS A 22 -7.262 3.836 -2.076 1.00 1.52 N ATOM 0 H LYS A 22 -2.095 6.017 -1.518 1.00 50.34 H new ATOM 0 HA LYS A 22 -4.593 5.907 -0.142 1.00 71.24 H new ATOM 0 HB2 LYS A 22 -3.440 4.072 -1.517 1.00 63.43 H new ATOM 0 HB3 LYS A 22 -2.295 3.884 -0.204 1.00 63.43 H new ATOM 0 HG2 LYS A 22 -4.001 2.157 -0.007 1.00 60.33 H new ATOM 0 HG3 LYS A 22 -4.172 3.268 1.338 1.00 60.33 H new ATOM 0 HD2 LYS A 22 -6.392 2.770 0.467 1.00 54.43 H new ATOM 0 HD3 LYS A 22 -6.024 4.446 0.113 1.00 54.43 H new ATOM 0 HE2 LYS A 22 -5.177 3.521 -2.213 1.00 3.42 H new ATOM 0 HE3 LYS A 22 -6.102 2.091 -1.802 1.00 3.42 H new ATOM 0 HZ1 LYS A 22 -7.413 3.643 -3.087 1.00 1.52 H new ATOM 0 HZ2 LYS A 22 -8.071 3.476 -1.530 1.00 1.52 H new ATOM 0 HZ3 LYS A 22 -7.174 4.862 -1.929 1.00 1.52 H new ATOM 371 N PHE A 23 -1.823 5.970 1.675 1.00 74.14 N ATOM 372 CA PHE A 23 -1.218 6.217 3.003 1.00 52.15 C ATOM 373 C PHE A 23 -1.736 7.541 3.615 1.00 43.40 C ATOM 374 O PHE A 23 -1.877 7.662 4.835 1.00 31.34 O ATOM 375 CB PHE A 23 0.329 6.239 2.852 1.00 50.40 C ATOM 376 CG PHE A 23 1.132 6.232 4.152 1.00 20.13 C ATOM 377 CD1 PHE A 23 1.395 5.036 4.821 1.00 40.24 C ATOM 378 CD2 PHE A 23 1.649 7.414 4.696 1.00 20.31 C ATOM 379 CE1 PHE A 23 2.138 5.019 5.987 1.00 32.20 C ATOM 380 CE2 PHE A 23 2.395 7.395 5.858 1.00 13.20 C ATOM 381 CZ PHE A 23 2.641 6.199 6.505 1.00 54.21 C ATOM 0 H PHE A 23 -1.130 5.888 0.931 1.00 74.14 H new ATOM 0 HA PHE A 23 -1.505 5.417 3.685 1.00 52.15 H new ATOM 0 HB2 PHE A 23 0.628 5.374 2.259 1.00 50.40 H new ATOM 0 HB3 PHE A 23 0.605 7.127 2.283 1.00 50.40 H new ATOM 0 HD1 PHE A 23 1.012 4.109 4.422 1.00 40.24 H new ATOM 0 HD2 PHE A 23 1.462 8.355 4.199 1.00 20.31 H new ATOM 0 HE1 PHE A 23 2.326 4.084 6.494 1.00 32.20 H new ATOM 0 HE2 PHE A 23 2.787 8.317 6.262 1.00 13.20 H new ATOM 0 HZ PHE A 23 3.225 6.186 7.413 1.00 54.21 H new ATOM 391 N SER A 24 -2.017 8.526 2.740 1.00 2.23 N ATOM 392 CA SER A 24 -2.608 9.823 3.132 1.00 64.34 C ATOM 393 C SER A 24 -4.024 9.666 3.742 1.00 24.13 C ATOM 394 O SER A 24 -4.379 10.411 4.665 1.00 72.15 O ATOM 395 CB SER A 24 -2.652 10.783 1.921 1.00 44.21 C ATOM 396 OG SER A 24 -1.352 11.045 1.406 1.00 3.32 O ATOM 0 H SER A 24 -1.841 8.446 1.739 1.00 2.23 H new ATOM 0 HA SER A 24 -1.967 10.246 3.906 1.00 64.34 H new ATOM 0 HB2 SER A 24 -3.273 10.350 1.137 1.00 44.21 H new ATOM 0 HB3 SER A 24 -3.121 11.721 2.218 1.00 44.21 H new ATOM 0 HG SER A 24 -0.968 10.217 1.049 1.00 3.32 H new ATOM 402 N HIS A 25 -4.837 8.703 3.239 1.00 4.45 N ATOM 403 CA HIS A 25 -6.186 8.427 3.803 1.00 65.41 C ATOM 404 C HIS A 25 -6.089 7.593 5.103 1.00 12.33 C ATOM 405 O HIS A 25 -6.724 7.920 6.111 1.00 73.21 O ATOM 406 CB HIS A 25 -7.077 7.686 2.770 1.00 14.11 C ATOM 407 CG HIS A 25 -7.360 8.474 1.517 1.00 44.23 C ATOM 408 ND1 HIS A 25 -6.670 8.577 0.359 1.00 23.35 N flip ATOM 409 CD2 HIS A 25 -8.474 9.268 1.351 1.00 22.04 C flip ATOM 410 CE1 HIS A 25 -7.367 9.415 -0.464 1.00 42.44 C flip ATOM 411 NE2 HIS A 25 -8.451 9.817 0.157 1.00 51.21 N flip ATOM 0 H HIS A 25 -4.586 8.108 2.450 1.00 4.45 H new ATOM 0 HA HIS A 25 -6.643 9.388 4.039 1.00 65.41 H new ATOM 0 HB2 HIS A 25 -6.592 6.750 2.495 1.00 14.11 H new ATOM 0 HB3 HIS A 25 -8.024 7.427 3.244 1.00 14.11 H new ATOM 0 HD1 HIS A 25 -5.789 8.113 0.140 1.00 23.35 H new ATOM 0 HD2 HIS A 25 -9.248 9.417 2.089 1.00 22.04 H new ATOM 0 HE1 HIS A 25 -7.074 9.700 -1.463 1.00 42.44 H new ATOM 420 N GLN A 26 -5.285 6.510 5.063 1.00 3.12 N ATOM 421 CA GLN A 26 -5.067 5.616 6.227 1.00 1.43 C ATOM 422 C GLN A 26 -3.726 4.843 6.118 1.00 5.24 C ATOM 423 O GLN A 26 -3.280 4.470 5.029 1.00 42.21 O ATOM 424 CB GLN A 26 -6.256 4.641 6.413 1.00 51.30 C ATOM 425 CG GLN A 26 -6.574 3.766 5.187 1.00 2.01 C ATOM 426 CD GLN A 26 -7.791 2.868 5.406 1.00 42.53 C ATOM 427 OE1 GLN A 26 -8.924 3.253 5.139 1.00 20.21 O ATOM 428 NE2 GLN A 26 -7.563 1.665 5.887 1.00 14.24 N ATOM 0 H GLN A 26 -4.770 6.229 4.229 1.00 3.12 H new ATOM 0 HA GLN A 26 -5.006 6.249 7.112 1.00 1.43 H new ATOM 0 HB2 GLN A 26 -6.044 3.990 7.261 1.00 51.30 H new ATOM 0 HB3 GLN A 26 -7.144 5.219 6.669 1.00 51.30 H new ATOM 0 HG2 GLN A 26 -6.751 4.407 4.324 1.00 2.01 H new ATOM 0 HG3 GLN A 26 -5.708 3.147 4.952 1.00 2.01 H new ATOM 0 HE21 GLN A 26 -6.609 1.373 6.100 1.00 14.24 H new ATOM 0 HE22 GLN A 26 -8.340 1.024 6.047 1.00 14.24 H new ATOM 437 N LYS A 27 -3.110 4.609 7.283 1.00 25.10 N ATOM 438 CA LYS A 27 -1.733 4.076 7.406 1.00 60.42 C ATOM 439 C LYS A 27 -1.657 2.542 7.295 1.00 41.42 C ATOM 440 O LYS A 27 -0.580 1.992 7.058 1.00 33.32 O ATOM 441 CB LYS A 27 -1.160 4.532 8.768 1.00 23.54 C ATOM 442 CG LYS A 27 -1.309 6.050 9.050 1.00 14.43 C ATOM 443 CD LYS A 27 -0.777 6.949 7.905 1.00 54.40 C ATOM 444 CE LYS A 27 -1.155 8.428 8.095 1.00 54.22 C ATOM 445 NZ LYS A 27 -0.726 9.268 6.943 1.00 34.43 N ATOM 0 H LYS A 27 -3.554 4.785 8.184 1.00 25.10 H new ATOM 0 HA LYS A 27 -1.149 4.468 6.574 1.00 60.42 H new ATOM 0 HB2 LYS A 27 -1.659 3.977 9.562 1.00 23.54 H new ATOM 0 HB3 LYS A 27 -0.103 4.269 8.810 1.00 23.54 H new ATOM 0 HG2 LYS A 27 -2.361 6.278 9.220 1.00 14.43 H new ATOM 0 HG3 LYS A 27 -0.777 6.294 9.969 1.00 14.43 H new ATOM 0 HD2 LYS A 27 0.308 6.858 7.850 1.00 54.40 H new ATOM 0 HD3 LYS A 27 -1.175 6.595 6.954 1.00 54.40 H new ATOM 0 HE2 LYS A 27 -2.234 8.512 8.223 1.00 54.22 H new ATOM 0 HE3 LYS A 27 -0.696 8.805 9.009 1.00 54.22 H new ATOM 0 HZ1 LYS A 27 -1.117 10.226 7.047 1.00 34.43 H new ATOM 0 HZ2 LYS A 27 0.312 9.318 6.918 1.00 34.43 H new ATOM 0 HZ3 LYS A 27 -1.074 8.847 6.058 1.00 34.43 H new ATOM 459 N TYR A 28 -2.784 1.864 7.540 1.00 62.44 N ATOM 460 CA TYR A 28 -2.908 0.395 7.397 1.00 43.42 C ATOM 461 C TYR A 28 -4.275 0.057 6.775 1.00 72.14 C ATOM 462 O TYR A 28 -5.308 0.508 7.279 1.00 4.20 O ATOM 463 CB TYR A 28 -2.799 -0.323 8.767 1.00 23.23 C ATOM 464 CG TYR A 28 -1.515 -0.053 9.568 1.00 33.15 C ATOM 465 CD1 TYR A 28 -0.285 -0.582 9.167 1.00 2.40 C ATOM 466 CD2 TYR A 28 -1.540 0.696 10.747 1.00 72.31 C ATOM 467 CE1 TYR A 28 0.860 -0.368 9.906 1.00 70.34 C ATOM 468 CE2 TYR A 28 -0.405 0.899 11.488 1.00 1.24 C ATOM 469 CZ TYR A 28 0.791 0.369 11.067 1.00 71.01 C ATOM 470 OH TYR A 28 1.916 0.571 11.823 1.00 64.22 O ATOM 0 H TYR A 28 -3.646 2.315 7.846 1.00 62.44 H new ATOM 0 HA TYR A 28 -2.094 0.052 6.758 1.00 43.42 H new ATOM 0 HB2 TYR A 28 -3.653 -0.030 9.378 1.00 23.23 H new ATOM 0 HB3 TYR A 28 -2.880 -1.397 8.600 1.00 23.23 H new ATOM 0 HD1 TYR A 28 -0.230 -1.169 8.262 1.00 2.40 H new ATOM 0 HD2 TYR A 28 -2.473 1.124 11.082 1.00 72.31 H new ATOM 0 HE1 TYR A 28 1.804 -0.776 9.576 1.00 70.34 H new ATOM 0 HE2 TYR A 28 -0.450 1.474 12.401 1.00 1.24 H new ATOM 0 HH TYR A 28 1.690 1.113 12.608 1.00 64.22 H new ATOM 480 N LEU A 29 -4.286 -0.744 5.700 1.00 24.33 N ATOM 481 CA LEU A 29 -5.531 -1.137 4.998 1.00 62.10 C ATOM 482 C LEU A 29 -6.213 -2.380 5.619 1.00 61.22 C ATOM 483 O LEU A 29 -5.584 -3.190 6.314 1.00 62.21 O ATOM 484 CB LEU A 29 -5.226 -1.391 3.499 1.00 42.32 C ATOM 485 CG LEU A 29 -4.837 -0.132 2.674 1.00 11.40 C ATOM 486 CD1 LEU A 29 -4.358 -0.512 1.259 1.00 72.33 C ATOM 487 CD2 LEU A 29 -6.012 0.867 2.626 1.00 12.15 C ATOM 0 H LEU A 29 -3.440 -1.140 5.289 1.00 24.33 H new ATOM 0 HA LEU A 29 -6.233 -0.310 5.106 1.00 62.10 H new ATOM 0 HB2 LEU A 29 -4.415 -2.115 3.429 1.00 42.32 H new ATOM 0 HB3 LEU A 29 -6.102 -1.849 3.040 1.00 42.32 H new ATOM 0 HG LEU A 29 -4.000 0.356 3.174 1.00 11.40 H new ATOM 0 HD11 LEU A 29 -4.094 0.392 0.709 1.00 72.33 H new ATOM 0 HD12 LEU A 29 -3.485 -1.160 1.332 1.00 72.33 H new ATOM 0 HD13 LEU A 29 -5.156 -1.036 0.733 1.00 72.33 H new ATOM 0 HD21 LEU A 29 -5.722 1.742 2.045 1.00 12.15 H new ATOM 0 HD22 LEU A 29 -6.875 0.391 2.160 1.00 12.15 H new ATOM 0 HD23 LEU A 29 -6.270 1.174 3.639 1.00 12.15 H new ATOM 499 N SER A 30 -7.523 -2.500 5.352 1.00 61.44 N ATOM 500 CA SER A 30 -8.318 -3.700 5.678 1.00 70.34 C ATOM 501 C SER A 30 -8.071 -4.788 4.629 1.00 10.15 C ATOM 502 O SER A 30 -7.623 -4.476 3.532 1.00 60.42 O ATOM 503 CB SER A 30 -9.821 -3.338 5.730 1.00 60.30 C ATOM 504 OG SER A 30 -10.081 -2.368 6.729 1.00 20.24 O ATOM 0 H SER A 30 -8.066 -1.764 4.901 1.00 61.44 H new ATOM 0 HA SER A 30 -8.014 -4.077 6.655 1.00 70.34 H new ATOM 0 HB2 SER A 30 -10.140 -2.958 4.759 1.00 60.30 H new ATOM 0 HB3 SER A 30 -10.407 -4.235 5.930 1.00 60.30 H new ATOM 0 HG SER A 30 -11.038 -2.157 6.739 1.00 20.24 H new ATOM 510 N ALA A 31 -8.390 -6.055 4.955 1.00 13.14 N ATOM 511 CA ALA A 31 -8.183 -7.213 4.044 1.00 21.10 C ATOM 512 C ALA A 31 -8.819 -7.025 2.618 1.00 53.30 C ATOM 513 O ALA A 31 -8.153 -7.340 1.621 1.00 43.11 O ATOM 514 CB ALA A 31 -8.653 -8.516 4.721 1.00 33.23 C ATOM 0 H ALA A 31 -8.798 -6.312 5.854 1.00 13.14 H new ATOM 0 HA ALA A 31 -7.111 -7.280 3.861 1.00 21.10 H new ATOM 0 HB1 ALA A 31 -8.496 -9.355 4.043 1.00 33.23 H new ATOM 0 HB2 ALA A 31 -8.083 -8.677 5.636 1.00 33.23 H new ATOM 0 HB3 ALA A 31 -9.713 -8.439 4.963 1.00 33.23 H new ATOM 520 N PRO A 32 -10.099 -6.510 2.477 1.00 74.31 N ATOM 521 CA PRO A 32 -10.652 -6.115 1.154 1.00 51.25 C ATOM 522 C PRO A 32 -9.819 -5.026 0.413 1.00 41.15 C ATOM 523 O PRO A 32 -9.385 -5.249 -0.714 1.00 3.11 O ATOM 524 CB PRO A 32 -12.065 -5.588 1.497 1.00 73.13 C ATOM 525 CG PRO A 32 -12.422 -6.262 2.784 1.00 55.12 C ATOM 526 CD PRO A 32 -11.128 -6.358 3.551 1.00 41.15 C ATOM 0 HA PRO A 32 -10.644 -6.957 0.462 1.00 51.25 H new ATOM 0 HB2 PRO A 32 -12.067 -4.503 1.605 1.00 73.13 H new ATOM 0 HB3 PRO A 32 -12.780 -5.832 0.711 1.00 73.13 H new ATOM 0 HG2 PRO A 32 -13.166 -5.688 3.336 1.00 55.12 H new ATOM 0 HG3 PRO A 32 -12.849 -7.249 2.607 1.00 55.12 H new ATOM 0 HD2 PRO A 32 -10.951 -5.467 4.154 1.00 41.15 H new ATOM 0 HD3 PRO A 32 -11.127 -7.209 4.232 1.00 41.15 H new ATOM 534 N GLU A 33 -9.593 -3.859 1.066 1.00 42.42 N ATOM 535 CA GLU A 33 -8.950 -2.674 0.420 1.00 41.13 C ATOM 536 C GLU A 33 -7.423 -2.843 0.192 1.00 14.42 C ATOM 537 O GLU A 33 -6.838 -2.146 -0.644 1.00 21.25 O ATOM 538 CB GLU A 33 -9.253 -1.383 1.228 1.00 10.05 C ATOM 539 CG GLU A 33 -10.747 -0.983 1.237 1.00 31.30 C ATOM 540 CD GLU A 33 -11.340 -0.746 -0.172 1.00 71.42 C ATOM 541 OE1 GLU A 33 -10.901 0.201 -0.865 1.00 60.53 O ATOM 542 OE2 GLU A 33 -12.257 -1.496 -0.587 1.00 42.52 O ATOM 0 H GLU A 33 -9.845 -3.707 2.043 1.00 42.42 H new ATOM 0 HA GLU A 33 -9.391 -2.588 -0.573 1.00 41.13 H new ATOM 0 HB2 GLU A 33 -8.919 -1.523 2.256 1.00 10.05 H new ATOM 0 HB3 GLU A 33 -8.670 -0.561 0.812 1.00 10.05 H new ATOM 0 HG2 GLU A 33 -11.320 -1.766 1.735 1.00 31.30 H new ATOM 0 HG3 GLU A 33 -10.867 -0.075 1.828 1.00 31.30 H new ATOM 549 N ARG A 34 -6.796 -3.778 0.925 1.00 60.21 N ATOM 550 CA ARG A 34 -5.368 -4.134 0.754 1.00 53.03 C ATOM 551 C ARG A 34 -5.190 -4.974 -0.530 1.00 0.12 C ATOM 552 O ARG A 34 -4.262 -4.750 -1.311 1.00 11.25 O ATOM 553 CB ARG A 34 -4.890 -4.906 2.008 1.00 74.13 C ATOM 554 CG ARG A 34 -3.391 -5.264 2.056 1.00 22.45 C ATOM 555 CD ARG A 34 -3.024 -6.012 3.353 1.00 13.12 C ATOM 556 NE ARG A 34 -3.839 -7.232 3.516 1.00 52.22 N ATOM 557 CZ ARG A 34 -4.472 -7.604 4.614 1.00 64.22 C ATOM 558 NH1 ARG A 34 -4.480 -6.856 5.684 1.00 14.14 N ATOM 559 NH2 ARG A 34 -5.145 -8.707 4.612 1.00 72.41 N ATOM 0 H ARG A 34 -7.263 -4.313 1.657 1.00 60.21 H new ATOM 0 HA ARG A 34 -4.762 -3.234 0.648 1.00 53.03 H new ATOM 0 HB2 ARG A 34 -5.128 -4.310 2.889 1.00 74.13 H new ATOM 0 HB3 ARG A 34 -5.465 -5.829 2.082 1.00 74.13 H new ATOM 0 HG2 ARG A 34 -3.137 -5.882 1.195 1.00 22.45 H new ATOM 0 HG3 ARG A 34 -2.797 -4.353 1.981 1.00 22.45 H new ATOM 0 HD2 ARG A 34 -1.967 -6.278 3.336 1.00 13.12 H new ATOM 0 HD3 ARG A 34 -3.174 -5.355 4.210 1.00 13.12 H new ATOM 0 HE ARG A 34 -3.921 -7.845 2.705 1.00 52.22 H new ATOM 0 HH11 ARG A 34 -3.990 -5.961 5.685 1.00 14.14 H new ATOM 0 HH12 ARG A 34 -4.976 -7.166 6.519 1.00 14.14 H new ATOM 0 HH21 ARG A 34 -5.183 -9.280 3.769 1.00 72.41 H new ATOM 0 HH22 ARG A 34 -5.638 -9.005 5.454 1.00 72.41 H new ATOM 573 N ALA A 35 -6.126 -5.924 -0.733 1.00 41.43 N ATOM 574 CA ALA A 35 -6.232 -6.743 -1.961 1.00 74.12 C ATOM 575 C ALA A 35 -6.692 -5.886 -3.176 1.00 73.11 C ATOM 576 O ALA A 35 -6.270 -6.123 -4.313 1.00 43.04 O ATOM 577 CB ALA A 35 -7.208 -7.903 -1.713 1.00 65.34 C ATOM 0 H ALA A 35 -6.840 -6.148 -0.040 1.00 41.43 H new ATOM 0 HA ALA A 35 -5.247 -7.143 -2.202 1.00 74.12 H new ATOM 0 HB1 ALA A 35 -7.289 -8.509 -2.615 1.00 65.34 H new ATOM 0 HB2 ALA A 35 -6.839 -8.520 -0.893 1.00 65.34 H new ATOM 0 HB3 ALA A 35 -8.189 -7.504 -1.454 1.00 65.34 H new ATOM 583 N HIS A 36 -7.561 -4.896 -2.891 1.00 63.30 N ATOM 584 CA HIS A 36 -8.076 -3.915 -3.869 1.00 34.20 C ATOM 585 C HIS A 36 -6.922 -3.063 -4.450 1.00 4.34 C ATOM 586 O HIS A 36 -6.821 -2.911 -5.663 1.00 23.22 O ATOM 587 CB HIS A 36 -9.138 -3.021 -3.161 1.00 42.24 C ATOM 588 CG HIS A 36 -9.912 -2.039 -4.015 1.00 10.22 C ATOM 589 ND1 HIS A 36 -11.291 -2.059 -4.120 1.00 52.14 N ATOM 590 CD2 HIS A 36 -9.516 -0.961 -4.734 1.00 14.31 C ATOM 591 CE1 HIS A 36 -11.693 -1.047 -4.857 1.00 1.23 C ATOM 592 NE2 HIS A 36 -10.638 -0.368 -5.243 1.00 24.15 N ATOM 0 H HIS A 36 -7.934 -4.752 -1.952 1.00 63.30 H new ATOM 0 HA HIS A 36 -8.542 -4.435 -4.706 1.00 34.20 H new ATOM 0 HB2 HIS A 36 -9.856 -3.678 -2.670 1.00 42.24 H new ATOM 0 HB3 HIS A 36 -8.633 -2.458 -2.376 1.00 42.24 H new ATOM 0 HD2 HIS A 36 -8.498 -0.630 -4.879 1.00 14.31 H new ATOM 0 HE1 HIS A 36 -12.718 -0.814 -5.103 1.00 1.23 H new ATOM 0 HE2 HIS A 36 -10.653 0.467 -5.828 1.00 24.15 H new ATOM 601 N LEU A 37 -6.063 -2.513 -3.570 1.00 14.42 N ATOM 602 CA LEU A 37 -4.888 -1.711 -3.994 1.00 72.35 C ATOM 603 C LEU A 37 -3.798 -2.615 -4.631 1.00 42.30 C ATOM 604 O LEU A 37 -3.112 -2.207 -5.583 1.00 73.01 O ATOM 605 CB LEU A 37 -4.308 -0.928 -2.780 1.00 12.54 C ATOM 606 CG LEU A 37 -3.114 0.045 -3.090 1.00 45.24 C ATOM 607 CD1 LEU A 37 -3.542 1.215 -4.004 1.00 60.14 C ATOM 608 CD2 LEU A 37 -2.456 0.556 -1.795 1.00 22.34 C ATOM 0 H LEU A 37 -6.157 -2.607 -2.559 1.00 14.42 H new ATOM 0 HA LEU A 37 -5.214 -0.997 -4.750 1.00 72.35 H new ATOM 0 HB2 LEU A 37 -5.114 -0.349 -2.329 1.00 12.54 H new ATOM 0 HB3 LEU A 37 -3.977 -1.650 -2.033 1.00 12.54 H new ATOM 0 HG LEU A 37 -2.367 -0.530 -3.637 1.00 45.24 H new ATOM 0 HD11 LEU A 37 -2.685 1.862 -4.192 1.00 60.14 H new ATOM 0 HD12 LEU A 37 -3.913 0.821 -4.950 1.00 60.14 H new ATOM 0 HD13 LEU A 37 -4.330 1.789 -3.516 1.00 60.14 H new ATOM 0 HD21 LEU A 37 -1.634 1.227 -2.045 1.00 22.34 H new ATOM 0 HD22 LEU A 37 -3.194 1.093 -1.199 1.00 22.34 H new ATOM 0 HD23 LEU A 37 -2.074 -0.289 -1.223 1.00 22.34 H new ATOM 620 N ALA A 38 -3.666 -3.850 -4.095 1.00 54.12 N ATOM 621 CA ALA A 38 -2.714 -4.862 -4.594 1.00 11.23 C ATOM 622 C ALA A 38 -2.923 -5.179 -6.091 1.00 0.33 C ATOM 623 O ALA A 38 -1.994 -5.067 -6.878 1.00 20.44 O ATOM 624 CB ALA A 38 -2.817 -6.148 -3.753 1.00 10.23 C ATOM 0 H ALA A 38 -4.220 -4.171 -3.301 1.00 54.12 H new ATOM 0 HA ALA A 38 -1.713 -4.443 -4.493 1.00 11.23 H new ATOM 0 HB1 ALA A 38 -2.110 -6.887 -4.130 1.00 10.23 H new ATOM 0 HB2 ALA A 38 -2.585 -5.922 -2.712 1.00 10.23 H new ATOM 0 HB3 ALA A 38 -3.829 -6.547 -3.820 1.00 10.23 H new ATOM 630 N LYS A 39 -4.161 -5.555 -6.474 1.00 52.50 N ATOM 631 CA LYS A 39 -4.503 -5.921 -7.876 1.00 22.21 C ATOM 632 C LYS A 39 -4.286 -4.745 -8.866 1.00 20.41 C ATOM 633 O LYS A 39 -3.844 -4.951 -10.007 1.00 30.13 O ATOM 634 CB LYS A 39 -5.969 -6.442 -7.953 1.00 62.44 C ATOM 635 CG LYS A 39 -7.055 -5.381 -7.651 1.00 32.15 C ATOM 636 CD LYS A 39 -8.487 -5.962 -7.586 1.00 5.53 C ATOM 637 CE LYS A 39 -9.555 -4.876 -7.378 1.00 43.45 C ATOM 638 NZ LYS A 39 -10.927 -5.452 -7.303 1.00 0.40 N ATOM 0 H LYS A 39 -4.950 -5.615 -5.831 1.00 52.50 H new ATOM 0 HA LYS A 39 -3.823 -6.717 -8.179 1.00 22.21 H new ATOM 0 HB2 LYS A 39 -6.144 -6.846 -8.950 1.00 62.44 H new ATOM 0 HB3 LYS A 39 -6.083 -7.268 -7.250 1.00 62.44 H new ATOM 0 HG2 LYS A 39 -6.825 -4.897 -6.702 1.00 32.15 H new ATOM 0 HG3 LYS A 39 -7.020 -4.608 -8.419 1.00 32.15 H new ATOM 0 HD2 LYS A 39 -8.698 -6.503 -8.509 1.00 5.53 H new ATOM 0 HD3 LYS A 39 -8.546 -6.685 -6.772 1.00 5.53 H new ATOM 0 HE2 LYS A 39 -9.341 -4.328 -6.461 1.00 43.45 H new ATOM 0 HE3 LYS A 39 -9.507 -4.158 -8.197 1.00 43.45 H new ATOM 0 HZ1 LYS A 39 -11.617 -4.687 -7.162 1.00 0.40 H new ATOM 0 HZ2 LYS A 39 -11.142 -5.954 -8.188 1.00 0.40 H new ATOM 0 HZ3 LYS A 39 -10.981 -6.118 -6.506 1.00 0.40 H new ATOM 652 N ASN A 40 -4.583 -3.512 -8.398 1.00 24.53 N ATOM 653 CA ASN A 40 -4.429 -2.277 -9.198 1.00 42.52 C ATOM 654 C ASN A 40 -2.949 -1.999 -9.542 1.00 22.44 C ATOM 655 O ASN A 40 -2.626 -1.589 -10.664 1.00 13.21 O ATOM 656 CB ASN A 40 -5.042 -1.063 -8.447 1.00 31.43 C ATOM 657 CG ASN A 40 -6.552 -1.184 -8.230 1.00 32.52 C ATOM 658 OD1 ASN A 40 -7.255 -1.834 -8.996 1.00 2.24 O ATOM 659 ND2 ASN A 40 -7.067 -0.554 -7.196 1.00 33.01 N ATOM 0 H ASN A 40 -4.936 -3.346 -7.456 1.00 24.53 H new ATOM 0 HA ASN A 40 -4.966 -2.425 -10.135 1.00 42.52 H new ATOM 0 HB2 ASN A 40 -4.550 -0.957 -7.480 1.00 31.43 H new ATOM 0 HB3 ASN A 40 -4.835 -0.154 -9.011 1.00 31.43 H new ATOM 0 HD21 ASN A 40 -8.070 -0.600 -7.018 1.00 33.01 H new ATOM 0 HD22 ASN A 40 -6.463 -0.019 -6.572 1.00 33.01 H new ATOM 666 N LEU A 41 -2.058 -2.232 -8.567 1.00 74.43 N ATOM 667 CA LEU A 41 -0.597 -2.000 -8.723 1.00 65.33 C ATOM 668 C LEU A 41 0.175 -3.321 -8.973 1.00 21.14 C ATOM 669 O LEU A 41 1.408 -3.324 -8.980 1.00 64.54 O ATOM 670 CB LEU A 41 -0.064 -1.269 -7.457 1.00 33.10 C ATOM 671 CG LEU A 41 -0.685 0.135 -7.167 1.00 74.24 C ATOM 672 CD1 LEU A 41 -0.118 0.743 -5.867 1.00 13.31 C ATOM 673 CD2 LEU A 41 -0.489 1.089 -8.368 1.00 14.41 C ATOM 0 H LEU A 41 -2.319 -2.586 -7.647 1.00 74.43 H new ATOM 0 HA LEU A 41 -0.433 -1.376 -9.601 1.00 65.33 H new ATOM 0 HB2 LEU A 41 -0.239 -1.908 -6.592 1.00 33.10 H new ATOM 0 HB3 LEU A 41 1.015 -1.154 -7.555 1.00 33.10 H new ATOM 0 HG LEU A 41 -1.757 -0.000 -7.023 1.00 74.24 H new ATOM 0 HD11 LEU A 41 -0.571 1.719 -5.694 1.00 13.31 H new ATOM 0 HD12 LEU A 41 -0.345 0.085 -5.028 1.00 13.31 H new ATOM 0 HD13 LEU A 41 0.962 0.855 -5.959 1.00 13.31 H new ATOM 0 HD21 LEU A 41 -0.931 2.059 -8.138 1.00 14.41 H new ATOM 0 HD22 LEU A 41 0.576 1.213 -8.564 1.00 14.41 H new ATOM 0 HD23 LEU A 41 -0.974 0.669 -9.249 1.00 14.41 H new ATOM 685 N LYS A 42 -0.571 -4.437 -9.181 1.00 1.44 N ATOM 686 CA LYS A 42 -0.013 -5.801 -9.401 1.00 20.22 C ATOM 687 C LYS A 42 0.901 -6.301 -8.242 1.00 32.31 C ATOM 688 O LYS A 42 1.712 -7.213 -8.421 1.00 44.44 O ATOM 689 CB LYS A 42 0.683 -5.893 -10.790 1.00 20.40 C ATOM 690 CG LYS A 42 -0.283 -5.697 -11.987 1.00 34.44 C ATOM 691 CD LYS A 42 -1.370 -6.804 -12.070 1.00 74.32 C ATOM 692 CE LYS A 42 -2.401 -6.549 -13.187 1.00 15.12 C ATOM 693 NZ LYS A 42 -3.213 -5.322 -12.941 1.00 62.24 N ATOM 0 H LYS A 42 -1.591 -4.416 -9.201 1.00 1.44 H new ATOM 0 HA LYS A 42 -0.859 -6.488 -9.400 1.00 20.22 H new ATOM 0 HB2 LYS A 42 1.470 -5.140 -10.843 1.00 20.40 H new ATOM 0 HB3 LYS A 42 1.166 -6.866 -10.880 1.00 20.40 H new ATOM 0 HG2 LYS A 42 -0.767 -4.724 -11.902 1.00 34.44 H new ATOM 0 HG3 LYS A 42 0.291 -5.687 -12.914 1.00 34.44 H new ATOM 0 HD2 LYS A 42 -0.889 -7.767 -12.240 1.00 74.32 H new ATOM 0 HD3 LYS A 42 -1.887 -6.871 -11.113 1.00 74.32 H new ATOM 0 HE2 LYS A 42 -1.883 -6.453 -14.141 1.00 15.12 H new ATOM 0 HE3 LYS A 42 -3.064 -7.410 -13.269 1.00 15.12 H new ATOM 0 HZ1 LYS A 42 -4.111 -5.390 -13.462 1.00 62.24 H new ATOM 0 HZ2 LYS A 42 -3.409 -5.233 -11.923 1.00 62.24 H new ATOM 0 HZ3 LYS A 42 -2.686 -4.486 -13.266 1.00 62.24 H new ATOM 707 N LEU A 43 0.694 -5.724 -7.050 1.00 22.25 N ATOM 708 CA LEU A 43 1.340 -6.151 -5.791 1.00 24.10 C ATOM 709 C LEU A 43 0.548 -7.305 -5.132 1.00 42.43 C ATOM 710 O LEU A 43 -0.520 -7.702 -5.608 1.00 73.45 O ATOM 711 CB LEU A 43 1.427 -4.940 -4.819 1.00 52.34 C ATOM 712 CG LEU A 43 2.306 -3.752 -5.296 1.00 75.43 C ATOM 713 CD1 LEU A 43 2.179 -2.536 -4.360 1.00 35.43 C ATOM 714 CD2 LEU A 43 3.776 -4.189 -5.454 1.00 23.42 C ATOM 0 H LEU A 43 0.062 -4.933 -6.927 1.00 22.25 H new ATOM 0 HA LEU A 43 2.344 -6.512 -6.015 1.00 24.10 H new ATOM 0 HB2 LEU A 43 0.418 -4.571 -4.638 1.00 52.34 H new ATOM 0 HB3 LEU A 43 1.814 -5.293 -3.863 1.00 52.34 H new ATOM 0 HG LEU A 43 1.939 -3.441 -6.274 1.00 75.43 H new ATOM 0 HD11 LEU A 43 2.809 -1.726 -4.728 1.00 35.43 H new ATOM 0 HD12 LEU A 43 1.141 -2.205 -4.333 1.00 35.43 H new ATOM 0 HD13 LEU A 43 2.497 -2.815 -3.356 1.00 35.43 H new ATOM 0 HD21 LEU A 43 4.374 -3.341 -5.789 1.00 23.42 H new ATOM 0 HD22 LEU A 43 4.155 -4.544 -4.496 1.00 23.42 H new ATOM 0 HD23 LEU A 43 3.840 -4.991 -6.189 1.00 23.42 H new ATOM 726 N THR A 44 1.082 -7.836 -4.032 1.00 62.40 N ATOM 727 CA THR A 44 0.380 -8.814 -3.172 1.00 54.13 C ATOM 728 C THR A 44 0.023 -8.148 -1.837 1.00 32.14 C ATOM 729 O THR A 44 0.546 -7.070 -1.522 1.00 41.40 O ATOM 730 CB THR A 44 1.264 -10.073 -2.890 1.00 43.14 C ATOM 731 OG1 THR A 44 2.438 -9.694 -2.148 1.00 44.11 O ATOM 732 CG2 THR A 44 1.687 -10.777 -4.192 1.00 40.01 C ATOM 0 H THR A 44 2.019 -7.604 -3.703 1.00 62.40 H new ATOM 0 HA THR A 44 -0.520 -9.138 -3.695 1.00 54.13 H new ATOM 0 HB THR A 44 0.664 -10.771 -2.306 1.00 43.14 H new ATOM 0 HG1 THR A 44 3.212 -10.192 -2.484 1.00 44.11 H new ATOM 0 HG21 THR A 44 2.300 -11.646 -3.953 1.00 40.01 H new ATOM 0 HG22 THR A 44 0.799 -11.097 -4.737 1.00 40.01 H new ATOM 0 HG23 THR A 44 2.262 -10.086 -4.809 1.00 40.01 H new ATOM 740 N GLU A 45 -0.849 -8.792 -1.044 1.00 35.41 N ATOM 741 CA GLU A 45 -1.173 -8.322 0.325 1.00 72.25 C ATOM 742 C GLU A 45 0.064 -8.350 1.256 1.00 52.55 C ATOM 743 O GLU A 45 0.073 -7.686 2.288 1.00 51.53 O ATOM 744 CB GLU A 45 -2.329 -9.152 0.934 1.00 24.52 C ATOM 745 CG GLU A 45 -3.665 -9.038 0.172 1.00 65.21 C ATOM 746 CD GLU A 45 -4.829 -9.695 0.924 1.00 20.42 C ATOM 747 OE1 GLU A 45 -5.030 -10.920 0.785 1.00 34.21 O ATOM 748 OE2 GLU A 45 -5.528 -8.991 1.687 1.00 12.14 O ATOM 0 H GLU A 45 -1.345 -9.639 -1.321 1.00 35.41 H new ATOM 0 HA GLU A 45 -1.495 -7.284 0.240 1.00 72.25 H new ATOM 0 HB2 GLU A 45 -2.031 -10.200 0.965 1.00 24.52 H new ATOM 0 HB3 GLU A 45 -2.484 -8.834 1.965 1.00 24.52 H new ATOM 0 HG2 GLU A 45 -3.894 -7.986 0.003 1.00 65.21 H new ATOM 0 HG3 GLU A 45 -3.561 -9.503 -0.808 1.00 65.21 H new ATOM 755 N THR A 46 1.097 -9.130 0.877 1.00 60.21 N ATOM 756 CA THR A 46 2.411 -9.122 1.548 1.00 64.13 C ATOM 757 C THR A 46 3.149 -7.798 1.252 1.00 10.32 C ATOM 758 O THR A 46 3.543 -7.088 2.171 1.00 15.30 O ATOM 759 CB THR A 46 3.302 -10.338 1.097 1.00 0.34 C ATOM 760 OG1 THR A 46 2.643 -11.582 1.412 1.00 61.55 O ATOM 761 CG2 THR A 46 4.685 -10.326 1.767 1.00 35.01 C ATOM 0 H THR A 46 1.042 -9.784 0.096 1.00 60.21 H new ATOM 0 HA THR A 46 2.235 -9.213 2.620 1.00 64.13 H new ATOM 0 HB THR A 46 3.443 -10.244 0.020 1.00 0.34 H new ATOM 0 HG1 THR A 46 3.205 -12.332 1.126 1.00 61.55 H new ATOM 0 HG21 THR A 46 5.263 -11.184 1.424 1.00 35.01 H new ATOM 0 HG22 THR A 46 5.209 -9.407 1.504 1.00 35.01 H new ATOM 0 HG23 THR A 46 4.565 -10.378 2.849 1.00 35.01 H new ATOM 769 N GLN A 47 3.292 -7.483 -0.050 1.00 51.14 N ATOM 770 CA GLN A 47 4.026 -6.292 -0.538 1.00 55.24 C ATOM 771 C GLN A 47 3.404 -4.969 -0.030 1.00 45.42 C ATOM 772 O GLN A 47 4.120 -4.088 0.457 1.00 62.14 O ATOM 773 CB GLN A 47 4.064 -6.316 -2.089 1.00 65.50 C ATOM 774 CG GLN A 47 4.816 -7.529 -2.674 1.00 50.01 C ATOM 775 CD GLN A 47 4.747 -7.610 -4.199 1.00 0.01 C ATOM 776 OE1 GLN A 47 3.861 -8.235 -4.758 1.00 44.21 O ATOM 777 NE2 GLN A 47 5.652 -6.946 -4.884 1.00 21.34 N ATOM 0 H GLN A 47 2.899 -8.051 -0.801 1.00 51.14 H new ATOM 0 HA GLN A 47 5.040 -6.333 -0.141 1.00 55.24 H new ATOM 0 HB2 GLN A 47 3.042 -6.316 -2.468 1.00 65.50 H new ATOM 0 HB3 GLN A 47 4.536 -5.401 -2.446 1.00 65.50 H new ATOM 0 HG2 GLN A 47 5.861 -7.481 -2.367 1.00 50.01 H new ATOM 0 HG3 GLN A 47 4.401 -8.443 -2.250 1.00 50.01 H new ATOM 0 HE21 GLN A 47 6.384 -6.430 -4.396 1.00 21.34 H new ATOM 0 HE22 GLN A 47 5.622 -6.947 -5.904 1.00 21.34 H new ATOM 786 N VAL A 48 2.065 -4.859 -0.147 1.00 12.40 N ATOM 787 CA VAL A 48 1.294 -3.697 0.345 1.00 3.42 C ATOM 788 C VAL A 48 1.435 -3.548 1.887 1.00 1.21 C ATOM 789 O VAL A 48 1.793 -2.479 2.369 1.00 62.32 O ATOM 790 CB VAL A 48 -0.228 -3.820 -0.066 1.00 75.41 C ATOM 791 CG1 VAL A 48 -1.075 -2.648 0.476 1.00 30.22 C ATOM 792 CG2 VAL A 48 -0.380 -3.932 -1.602 1.00 22.22 C ATOM 0 H VAL A 48 1.486 -5.575 -0.586 1.00 12.40 H new ATOM 0 HA VAL A 48 1.703 -2.800 -0.121 1.00 3.42 H new ATOM 0 HB VAL A 48 -0.606 -4.735 0.391 1.00 75.41 H new ATOM 0 HG11 VAL A 48 -2.113 -2.776 0.168 1.00 30.22 H new ATOM 0 HG12 VAL A 48 -1.019 -2.631 1.564 1.00 30.22 H new ATOM 0 HG13 VAL A 48 -0.692 -1.708 0.078 1.00 30.22 H new ATOM 0 HG21 VAL A 48 -1.436 -4.015 -1.858 1.00 22.22 H new ATOM 0 HG22 VAL A 48 0.039 -3.044 -2.075 1.00 22.22 H new ATOM 0 HG23 VAL A 48 0.150 -4.816 -1.957 1.00 22.22 H new ATOM 802 N LYS A 49 1.201 -4.650 2.641 1.00 61.24 N ATOM 803 CA LYS A 49 1.286 -4.654 4.128 1.00 34.34 C ATOM 804 C LYS A 49 2.686 -4.231 4.644 1.00 23.43 C ATOM 805 O LYS A 49 2.787 -3.405 5.557 1.00 75.31 O ATOM 806 CB LYS A 49 0.923 -6.054 4.678 1.00 63.25 C ATOM 807 CG LYS A 49 0.902 -6.181 6.221 1.00 13.50 C ATOM 808 CD LYS A 49 0.426 -7.570 6.730 1.00 61.13 C ATOM 809 CE LYS A 49 1.391 -8.737 6.408 1.00 22.00 C ATOM 810 NZ LYS A 49 1.460 -9.065 4.954 1.00 1.31 N ATOM 0 H LYS A 49 0.950 -5.555 2.243 1.00 61.24 H new ATOM 0 HA LYS A 49 0.570 -3.917 4.491 1.00 34.34 H new ATOM 0 HB2 LYS A 49 -0.059 -6.332 4.295 1.00 63.25 H new ATOM 0 HB3 LYS A 49 1.636 -6.777 4.281 1.00 63.25 H new ATOM 0 HG2 LYS A 49 1.903 -5.987 6.606 1.00 13.50 H new ATOM 0 HG3 LYS A 49 0.248 -5.411 6.631 1.00 13.50 H new ATOM 0 HD2 LYS A 49 0.286 -7.519 7.810 1.00 61.13 H new ATOM 0 HD3 LYS A 49 -0.548 -7.789 6.292 1.00 61.13 H new ATOM 0 HE2 LYS A 49 2.389 -8.482 6.763 1.00 22.00 H new ATOM 0 HE3 LYS A 49 1.074 -9.623 6.958 1.00 22.00 H new ATOM 0 HZ1 LYS A 49 1.362 -10.092 4.825 1.00 1.31 H new ATOM 0 HZ2 LYS A 49 0.691 -8.578 4.451 1.00 1.31 H new ATOM 0 HZ3 LYS A 49 2.376 -8.754 4.571 1.00 1.31 H new ATOM 824 N ILE A 50 3.752 -4.802 4.036 1.00 13.12 N ATOM 825 CA ILE A 50 5.150 -4.487 4.395 1.00 32.32 C ATOM 826 C ILE A 50 5.485 -3.022 4.059 1.00 61.34 C ATOM 827 O ILE A 50 6.160 -2.366 4.844 1.00 23.24 O ATOM 828 CB ILE A 50 6.181 -5.471 3.702 1.00 2.13 C ATOM 829 CG1 ILE A 50 5.977 -6.924 4.238 1.00 51.51 C ATOM 830 CG2 ILE A 50 7.652 -5.008 3.906 1.00 24.21 C ATOM 831 CD1 ILE A 50 6.891 -7.966 3.620 1.00 21.44 C ATOM 0 H ILE A 50 3.666 -5.490 3.288 1.00 13.12 H new ATOM 0 HA ILE A 50 5.244 -4.627 5.472 1.00 32.32 H new ATOM 0 HB ILE A 50 5.987 -5.457 2.629 1.00 2.13 H new ATOM 0 HG12 ILE A 50 6.129 -6.922 5.317 1.00 51.51 H new ATOM 0 HG13 ILE A 50 4.942 -7.219 4.062 1.00 51.51 H new ATOM 0 HG21 ILE A 50 8.326 -5.710 3.415 1.00 24.21 H new ATOM 0 HG22 ILE A 50 7.784 -4.016 3.474 1.00 24.21 H new ATOM 0 HG23 ILE A 50 7.878 -4.973 4.972 1.00 24.21 H new ATOM 0 HD11 ILE A 50 6.676 -8.942 4.054 1.00 21.44 H new ATOM 0 HD12 ILE A 50 6.725 -8.003 2.543 1.00 21.44 H new ATOM 0 HD13 ILE A 50 7.930 -7.702 3.818 1.00 21.44 H new ATOM 843 N TRP A 51 5.004 -2.505 2.903 1.00 13.13 N ATOM 844 CA TRP A 51 5.212 -1.083 2.541 1.00 62.31 C ATOM 845 C TRP A 51 4.587 -0.144 3.603 1.00 72.32 C ATOM 846 O TRP A 51 5.278 0.713 4.125 1.00 25.43 O ATOM 847 CB TRP A 51 4.649 -0.746 1.131 1.00 64.31 C ATOM 848 CG TRP A 51 4.974 0.677 0.672 1.00 70.13 C ATOM 849 CD1 TRP A 51 6.073 1.092 -0.026 1.00 64.10 C ATOM 850 CD2 TRP A 51 4.212 1.868 0.922 1.00 20.11 C ATOM 851 NE1 TRP A 51 6.024 2.438 -0.245 1.00 63.35 N ATOM 852 CE2 TRP A 51 4.898 2.937 0.333 1.00 14.42 C ATOM 853 CE3 TRP A 51 3.015 2.126 1.585 1.00 23.34 C ATOM 854 CZ2 TRP A 51 4.429 4.232 0.387 1.00 43.43 C ATOM 855 CZ3 TRP A 51 2.546 3.414 1.642 1.00 62.01 C ATOM 856 CH2 TRP A 51 3.255 4.457 1.050 1.00 3.01 C ATOM 0 H TRP A 51 4.477 -3.042 2.215 1.00 13.13 H new ATOM 0 HA TRP A 51 6.289 -0.920 2.514 1.00 62.31 H new ATOM 0 HB2 TRP A 51 5.053 -1.454 0.408 1.00 64.31 H new ATOM 0 HB3 TRP A 51 3.567 -0.880 1.138 1.00 64.31 H new ATOM 0 HD1 TRP A 51 6.870 0.444 -0.359 1.00 64.10 H new ATOM 0 HE1 TRP A 51 6.718 2.981 -0.758 1.00 63.35 H new ATOM 0 HE3 TRP A 51 2.463 1.322 2.049 1.00 23.34 H new ATOM 0 HZ2 TRP A 51 4.971 5.042 -0.079 1.00 43.43 H new ATOM 0 HZ3 TRP A 51 1.617 3.622 2.152 1.00 62.01 H new ATOM 0 HH2 TRP A 51 2.869 5.464 1.116 1.00 3.01 H new ATOM 867 N PHE A 52 3.282 -0.323 3.904 1.00 61.31 N ATOM 868 CA PHE A 52 2.550 0.517 4.900 1.00 61.42 C ATOM 869 C PHE A 52 3.151 0.422 6.329 1.00 14.54 C ATOM 870 O PHE A 52 3.117 1.392 7.090 1.00 73.33 O ATOM 871 CB PHE A 52 1.038 0.152 4.903 1.00 31.51 C ATOM 872 CG PHE A 52 0.247 0.774 3.738 1.00 52.51 C ATOM 873 CD1 PHE A 52 0.227 0.185 2.474 1.00 4.25 C ATOM 874 CD2 PHE A 52 -0.466 1.963 3.903 1.00 11.02 C ATOM 875 CE1 PHE A 52 -0.468 0.757 1.429 1.00 21.35 C ATOM 876 CE2 PHE A 52 -1.164 2.531 2.859 1.00 22.15 C ATOM 877 CZ PHE A 52 -1.164 1.927 1.621 1.00 61.30 C ATOM 0 H PHE A 52 2.704 -1.044 3.473 1.00 61.31 H new ATOM 0 HA PHE A 52 2.665 1.556 4.591 1.00 61.42 H new ATOM 0 HB2 PHE A 52 0.935 -0.932 4.862 1.00 31.51 H new ATOM 0 HB3 PHE A 52 0.597 0.478 5.845 1.00 31.51 H new ATOM 0 HD1 PHE A 52 0.766 -0.736 2.310 1.00 4.25 H new ATOM 0 HD2 PHE A 52 -0.471 2.447 4.868 1.00 11.02 H new ATOM 0 HE1 PHE A 52 -0.465 0.285 0.458 1.00 21.35 H new ATOM 0 HE2 PHE A 52 -1.711 3.450 3.012 1.00 22.15 H new ATOM 0 HZ PHE A 52 -1.710 2.372 0.802 1.00 61.30 H new ATOM 887 N GLN A 53 3.688 -0.757 6.670 1.00 72.41 N ATOM 888 CA GLN A 53 4.419 -1.006 7.938 1.00 22.13 C ATOM 889 C GLN A 53 5.771 -0.233 7.989 1.00 45.04 C ATOM 890 O GLN A 53 6.013 0.579 8.895 1.00 0.01 O ATOM 891 CB GLN A 53 4.651 -2.546 8.061 1.00 13.12 C ATOM 892 CG GLN A 53 5.682 -3.003 9.109 1.00 61.14 C ATOM 893 CD GLN A 53 5.942 -4.510 9.054 1.00 21.50 C ATOM 894 OE1 GLN A 53 5.329 -5.292 9.770 1.00 62.25 O ATOM 895 NE2 GLN A 53 6.817 -4.933 8.166 1.00 0.25 N ATOM 0 H GLN A 53 3.631 -1.581 6.071 1.00 72.41 H new ATOM 0 HA GLN A 53 3.827 -0.642 8.778 1.00 22.13 H new ATOM 0 HB2 GLN A 53 3.696 -3.018 8.293 1.00 13.12 H new ATOM 0 HB3 GLN A 53 4.964 -2.923 7.087 1.00 13.12 H new ATOM 0 HG2 GLN A 53 6.619 -2.469 8.949 1.00 61.14 H new ATOM 0 HG3 GLN A 53 5.328 -2.734 10.104 1.00 61.14 H new ATOM 0 HE21 GLN A 53 7.315 -4.262 7.581 1.00 0.25 H new ATOM 0 HE22 GLN A 53 6.997 -5.932 8.063 1.00 0.25 H new ATOM 904 N ASN A 54 6.634 -0.513 6.996 1.00 73.24 N ATOM 905 CA ASN A 54 7.992 0.061 6.886 1.00 54.23 C ATOM 906 C ASN A 54 7.961 1.585 6.713 1.00 32.12 C ATOM 907 O ASN A 54 8.777 2.275 7.297 1.00 64.33 O ATOM 908 CB ASN A 54 8.747 -0.584 5.694 1.00 21.31 C ATOM 909 CG ASN A 54 9.060 -2.072 5.887 1.00 15.43 C ATOM 910 OD1 ASN A 54 8.443 -2.774 6.687 1.00 52.41 O ATOM 911 ND2 ASN A 54 9.999 -2.579 5.116 1.00 55.20 N ATOM 0 H ASN A 54 6.407 -1.153 6.235 1.00 73.24 H new ATOM 0 HA ASN A 54 8.514 -0.158 7.818 1.00 54.23 H new ATOM 0 HB2 ASN A 54 8.150 -0.463 4.790 1.00 21.31 H new ATOM 0 HB3 ASN A 54 9.680 -0.045 5.534 1.00 21.31 H new ATOM 0 HD21 ASN A 54 10.227 -3.571 5.175 1.00 55.20 H new ATOM 0 HD22 ASN A 54 10.499 -1.979 4.459 1.00 55.20 H new ATOM 918 N ARG A 55 7.026 2.079 5.887 1.00 62.40 N ATOM 919 CA ARG A 55 6.858 3.520 5.595 1.00 1.24 C ATOM 920 C ARG A 55 6.704 4.353 6.885 1.00 63.21 C ATOM 921 O ARG A 55 7.332 5.403 7.024 1.00 52.44 O ATOM 922 CB ARG A 55 5.641 3.758 4.651 1.00 21.12 C ATOM 923 CG ARG A 55 5.767 5.014 3.769 1.00 33.00 C ATOM 924 CD ARG A 55 6.936 4.893 2.763 1.00 0.33 C ATOM 925 NE ARG A 55 7.085 6.087 1.920 1.00 44.53 N ATOM 926 CZ ARG A 55 7.990 6.232 0.968 1.00 40.11 C ATOM 927 NH1 ARG A 55 8.786 5.249 0.629 1.00 32.23 N ATOM 928 NH2 ARG A 55 8.080 7.350 0.337 1.00 22.41 N ATOM 0 H ARG A 55 6.356 1.487 5.396 1.00 62.40 H new ATOM 0 HA ARG A 55 7.765 3.852 5.090 1.00 1.24 H new ATOM 0 HB2 ARG A 55 5.517 2.886 4.008 1.00 21.12 H new ATOM 0 HB3 ARG A 55 4.737 3.840 5.254 1.00 21.12 H new ATOM 0 HG2 ARG A 55 4.835 5.172 3.226 1.00 33.00 H new ATOM 0 HG3 ARG A 55 5.920 5.889 4.401 1.00 33.00 H new ATOM 0 HD2 ARG A 55 7.863 4.721 3.309 1.00 0.33 H new ATOM 0 HD3 ARG A 55 6.774 4.022 2.127 1.00 0.33 H new ATOM 0 HE ARG A 55 6.442 6.862 2.082 1.00 44.53 H new ATOM 0 HH11 ARG A 55 8.715 4.349 1.103 1.00 32.23 H new ATOM 0 HH12 ARG A 55 9.477 5.384 -0.109 1.00 32.23 H new ATOM 0 HH21 ARG A 55 7.454 8.120 0.572 1.00 22.41 H new ATOM 0 HH22 ARG A 55 8.777 7.466 -0.398 1.00 22.41 H new ATOM 942 N ARG A 56 5.877 3.845 7.824 1.00 51.34 N ATOM 943 CA ARG A 56 5.705 4.455 9.156 1.00 50.12 C ATOM 944 C ARG A 56 7.022 4.415 9.972 1.00 4.23 C ATOM 945 O ARG A 56 7.344 5.359 10.699 1.00 12.21 O ATOM 946 CB ARG A 56 4.577 3.746 9.936 1.00 41.11 C ATOM 947 CG ARG A 56 3.191 3.775 9.257 1.00 71.40 C ATOM 948 CD ARG A 56 2.033 3.560 10.247 1.00 42.30 C ATOM 949 NE ARG A 56 1.837 4.738 11.114 1.00 73.01 N ATOM 950 CZ ARG A 56 0.819 4.948 11.922 1.00 20.53 C ATOM 951 NH1 ARG A 56 -0.066 4.029 12.161 1.00 24.33 N ATOM 952 NH2 ARG A 56 0.712 6.086 12.522 1.00 2.42 N ATOM 0 H ARG A 56 5.314 3.006 7.680 1.00 51.34 H new ATOM 0 HA ARG A 56 5.431 5.499 9.006 1.00 50.12 H new ATOM 0 HB2 ARG A 56 4.864 2.707 10.095 1.00 41.11 H new ATOM 0 HB3 ARG A 56 4.492 4.207 10.920 1.00 41.11 H new ATOM 0 HG2 ARG A 56 3.059 4.733 8.754 1.00 71.40 H new ATOM 0 HG3 ARG A 56 3.153 3.003 8.488 1.00 71.40 H new ATOM 0 HD2 ARG A 56 1.115 3.356 9.696 1.00 42.30 H new ATOM 0 HD3 ARG A 56 2.237 2.684 10.862 1.00 42.30 H new ATOM 0 HE ARG A 56 2.559 5.458 11.084 1.00 73.01 H new ATOM 0 HH11 ARG A 56 0.016 3.114 11.718 1.00 24.33 H new ATOM 0 HH12 ARG A 56 -0.844 4.222 12.792 1.00 24.33 H new ATOM 0 HH21 ARG A 56 1.412 6.812 12.368 1.00 2.42 H new ATOM 0 HH22 ARG A 56 -0.073 6.260 13.150 1.00 2.42 H new ATOM 966 N TYR A 57 7.774 3.302 9.840 1.00 3.41 N ATOM 967 CA TYR A 57 9.111 3.135 10.465 1.00 13.42 C ATOM 968 C TYR A 57 10.165 4.114 9.856 1.00 20.14 C ATOM 969 O TYR A 57 11.145 4.470 10.525 1.00 2.34 O ATOM 970 CB TYR A 57 9.568 1.657 10.307 1.00 52.41 C ATOM 971 CG TYR A 57 10.904 1.299 10.996 1.00 34.50 C ATOM 972 CD1 TYR A 57 10.956 1.026 12.366 1.00 60.20 C ATOM 973 CD2 TYR A 57 12.107 1.229 10.279 1.00 73.53 C ATOM 974 CE1 TYR A 57 12.141 0.704 12.994 1.00 44.45 C ATOM 975 CE2 TYR A 57 13.295 0.906 10.905 1.00 21.11 C ATOM 976 CZ TYR A 57 13.310 0.646 12.263 1.00 1.12 C ATOM 977 OH TYR A 57 14.497 0.317 12.891 1.00 13.50 O ATOM 0 H TYR A 57 7.475 2.492 9.298 1.00 3.41 H new ATOM 0 HA TYR A 57 9.032 3.380 11.524 1.00 13.42 H new ATOM 0 HB2 TYR A 57 8.788 1.009 10.706 1.00 52.41 H new ATOM 0 HB3 TYR A 57 9.656 1.433 9.244 1.00 52.41 H new ATOM 0 HD1 TYR A 57 10.046 1.068 12.947 1.00 60.20 H new ATOM 0 HD2 TYR A 57 12.105 1.431 9.218 1.00 73.53 H new ATOM 0 HE1 TYR A 57 12.154 0.498 14.054 1.00 44.45 H new ATOM 0 HE2 TYR A 57 14.211 0.857 10.335 1.00 21.11 H new ATOM 0 HH TYR A 57 15.225 0.319 12.235 1.00 13.50 H new ATOM 987 N LYS A 58 9.970 4.522 8.579 1.00 42.40 N ATOM 988 CA LYS A 58 10.867 5.495 7.893 1.00 54.12 C ATOM 989 C LYS A 58 10.548 6.951 8.309 1.00 74.44 C ATOM 990 O LYS A 58 11.447 7.796 8.397 1.00 14.50 O ATOM 991 CB LYS A 58 10.771 5.380 6.337 1.00 33.12 C ATOM 992 CG LYS A 58 10.875 3.952 5.762 1.00 24.14 C ATOM 993 CD LYS A 58 12.111 3.167 6.254 1.00 41.32 C ATOM 994 CE LYS A 58 12.089 1.698 5.786 1.00 11.42 C ATOM 995 NZ LYS A 58 12.083 1.572 4.303 1.00 65.34 N ATOM 0 H LYS A 58 9.198 4.194 7.998 1.00 42.40 H new ATOM 0 HA LYS A 58 11.881 5.245 8.204 1.00 54.12 H new ATOM 0 HB2 LYS A 58 9.823 5.812 6.017 1.00 33.12 H new ATOM 0 HB3 LYS A 58 11.562 5.987 5.897 1.00 33.12 H new ATOM 0 HG2 LYS A 58 9.975 3.397 6.028 1.00 24.14 H new ATOM 0 HG3 LYS A 58 10.903 4.010 4.674 1.00 24.14 H new ATOM 0 HD2 LYS A 58 13.017 3.650 5.887 1.00 41.32 H new ATOM 0 HD3 LYS A 58 12.151 3.200 7.343 1.00 41.32 H new ATOM 0 HE2 LYS A 58 12.959 1.179 6.188 1.00 11.42 H new ATOM 0 HE3 LYS A 58 11.207 1.204 6.193 1.00 11.42 H new ATOM 0 HZ1 LYS A 58 12.119 0.566 4.040 1.00 65.34 H new ATOM 0 HZ2 LYS A 58 11.214 1.998 3.922 1.00 65.34 H new ATOM 0 HZ3 LYS A 58 12.911 2.063 3.910 1.00 65.34 H new ATOM 1009 N THR A 59 9.261 7.227 8.582 1.00 54.30 N ATOM 1010 CA THR A 59 8.765 8.601 8.852 1.00 4.43 C ATOM 1011 C THR A 59 8.391 8.762 10.348 1.00 35.22 C ATOM 1012 O THR A 59 8.630 7.856 11.157 1.00 54.41 O ATOM 1013 CB THR A 59 7.532 8.956 7.929 1.00 61.31 C ATOM 1014 OG1 THR A 59 7.235 10.359 8.021 1.00 40.01 O ATOM 1015 CG2 THR A 59 6.263 8.148 8.279 1.00 64.21 C ATOM 0 H THR A 59 8.534 6.513 8.623 1.00 54.30 H new ATOM 0 HA THR A 59 9.569 9.299 8.619 1.00 4.43 H new ATOM 0 HB THR A 59 7.821 8.690 6.912 1.00 61.31 H new ATOM 0 HG1 THR A 59 6.471 10.570 7.445 1.00 40.01 H new ATOM 0 HG21 THR A 59 5.452 8.437 7.611 1.00 64.21 H new ATOM 0 HG22 THR A 59 6.466 7.083 8.164 1.00 64.21 H new ATOM 0 HG23 THR A 59 5.974 8.353 9.310 1.00 64.21 H new ATOM 1023 N LYS A 60 7.854 9.937 10.714 1.00 21.51 N ATOM 1024 CA LYS A 60 7.279 10.190 12.054 1.00 0.30 C ATOM 1025 C LYS A 60 6.117 9.201 12.371 1.00 21.13 C ATOM 1026 O LYS A 60 5.265 8.934 11.519 1.00 32.42 O ATOM 1027 CB LYS A 60 6.786 11.661 12.135 1.00 54.50 C ATOM 1028 CG LYS A 60 5.711 12.024 11.087 1.00 52.35 C ATOM 1029 CD LYS A 60 5.274 13.498 11.169 1.00 74.01 C ATOM 1030 CE LYS A 60 4.154 13.845 10.178 1.00 2.02 C ATOM 1031 NZ LYS A 60 3.745 15.270 10.284 1.00 3.24 N ATOM 0 H LYS A 60 7.804 10.743 10.091 1.00 21.51 H new ATOM 0 HA LYS A 60 8.055 10.027 12.802 1.00 0.30 H new ATOM 0 HB2 LYS A 60 6.383 11.844 13.131 1.00 54.50 H new ATOM 0 HB3 LYS A 60 7.640 12.327 12.009 1.00 54.50 H new ATOM 0 HG2 LYS A 60 6.099 11.819 10.089 1.00 52.35 H new ATOM 0 HG3 LYS A 60 4.841 11.383 11.228 1.00 52.35 H new ATOM 0 HD2 LYS A 60 4.936 13.716 12.182 1.00 74.01 H new ATOM 0 HD3 LYS A 60 6.135 14.138 10.976 1.00 74.01 H new ATOM 0 HE2 LYS A 60 4.491 13.638 9.162 1.00 2.02 H new ATOM 0 HE3 LYS A 60 3.292 13.205 10.365 1.00 2.02 H new ATOM 0 HZ1 LYS A 60 2.987 15.465 9.599 1.00 3.24 H new ATOM 0 HZ2 LYS A 60 3.400 15.462 11.246 1.00 3.24 H new ATOM 0 HZ3 LYS A 60 4.561 15.882 10.081 1.00 3.24 H new ATOM 1045 N ARG A 61 6.090 8.666 13.600 1.00 22.43 N ATOM 1046 CA ARG A 61 5.124 7.615 14.002 1.00 4.14 C ATOM 1047 C ARG A 61 4.663 7.798 15.472 1.00 12.11 C ATOM 1048 O ARG A 61 5.291 7.289 16.406 1.00 43.11 O ATOM 1049 CB ARG A 61 5.747 6.204 13.740 1.00 43.30 C ATOM 1050 CG ARG A 61 7.212 6.045 14.240 1.00 13.55 C ATOM 1051 CD ARG A 61 7.835 4.679 13.919 1.00 23.21 C ATOM 1052 NE ARG A 61 9.247 4.606 14.343 1.00 25.23 N ATOM 1053 CZ ARG A 61 9.885 3.517 14.725 1.00 11.14 C ATOM 1054 NH1 ARG A 61 9.268 2.389 14.865 1.00 54.31 N ATOM 1055 NH2 ARG A 61 11.137 3.586 15.005 1.00 64.21 N ATOM 0 H ARG A 61 6.730 8.943 14.345 1.00 22.43 H new ATOM 0 HA ARG A 61 4.224 7.705 13.393 1.00 4.14 H new ATOM 0 HB2 ARG A 61 5.127 5.451 14.225 1.00 43.30 H new ATOM 0 HB3 ARG A 61 5.717 6.000 12.670 1.00 43.30 H new ATOM 0 HG2 ARG A 61 7.825 6.827 13.792 1.00 13.55 H new ATOM 0 HG3 ARG A 61 7.236 6.200 15.319 1.00 13.55 H new ATOM 0 HD2 ARG A 61 7.265 3.894 14.416 1.00 23.21 H new ATOM 0 HD3 ARG A 61 7.767 4.492 12.847 1.00 23.21 H new ATOM 0 HE ARG A 61 9.777 5.477 14.340 1.00 25.23 H new ATOM 0 HH11 ARG A 61 8.267 2.329 14.679 1.00 54.31 H new ATOM 0 HH12 ARG A 61 9.782 1.560 15.162 1.00 54.31 H new ATOM 0 HH21 ARG A 61 11.628 4.477 14.931 1.00 64.21 H new ATOM 0 HH22 ARG A 61 11.640 2.750 15.301 1.00 64.21 H new ATOM 1069 N LYS A 62 3.567 8.570 15.657 1.00 31.34 N ATOM 1070 CA LYS A 62 2.946 8.822 16.990 1.00 64.32 C ATOM 1071 C LYS A 62 2.390 7.507 17.602 1.00 43.04 C ATOM 1072 O LYS A 62 2.462 7.278 18.819 1.00 11.24 O ATOM 1073 CB LYS A 62 1.817 9.889 16.863 1.00 63.25 C ATOM 1074 CG LYS A 62 1.207 10.358 18.210 1.00 45.33 C ATOM 1075 CD LYS A 62 0.080 11.421 18.064 1.00 22.13 C ATOM 1076 CE LYS A 62 0.571 12.825 17.618 1.00 71.01 C ATOM 1077 NZ LYS A 62 1.016 12.885 16.190 1.00 33.32 N ATOM 0 H LYS A 62 3.084 9.038 14.890 1.00 31.34 H new ATOM 0 HA LYS A 62 3.715 9.204 17.661 1.00 64.32 H new ATOM 0 HB2 LYS A 62 2.216 10.758 16.339 1.00 63.25 H new ATOM 0 HB3 LYS A 62 1.019 9.481 16.242 1.00 63.25 H new ATOM 0 HG2 LYS A 62 0.807 9.491 18.736 1.00 45.33 H new ATOM 0 HG3 LYS A 62 2.002 10.770 18.832 1.00 45.33 H new ATOM 0 HD2 LYS A 62 -0.651 11.059 17.341 1.00 22.13 H new ATOM 0 HD3 LYS A 62 -0.437 11.517 19.019 1.00 22.13 H new ATOM 0 HE2 LYS A 62 -0.233 13.545 17.769 1.00 71.01 H new ATOM 0 HE3 LYS A 62 1.397 13.131 18.259 1.00 71.01 H new ATOM 0 HZ1 LYS A 62 0.665 13.761 15.754 1.00 33.32 H new ATOM 0 HZ2 LYS A 62 2.055 12.870 16.149 1.00 33.32 H new ATOM 0 HZ3 LYS A 62 0.637 12.065 15.674 1.00 33.32 H new ATOM 1091 N GLN A 63 1.840 6.654 16.726 1.00 11.04 N ATOM 1092 CA GLN A 63 1.429 5.275 17.062 1.00 64.13 C ATOM 1093 C GLN A 63 2.672 4.335 17.067 1.00 34.43 C ATOM 1094 O GLN A 63 3.723 4.692 16.517 1.00 61.33 O ATOM 1095 CB GLN A 63 0.356 4.778 16.046 1.00 52.44 C ATOM 1096 CG GLN A 63 -1.012 5.515 16.102 1.00 72.25 C ATOM 1097 CD GLN A 63 -0.990 6.989 15.652 1.00 1.32 C ATOM 1098 OE1 GLN A 63 -0.195 7.394 14.810 1.00 3.32 O ATOM 1099 NE2 GLN A 63 -1.873 7.800 16.200 1.00 23.53 N ATOM 0 H GLN A 63 1.664 6.901 15.752 1.00 11.04 H new ATOM 0 HA GLN A 63 0.988 5.262 18.059 1.00 64.13 H new ATOM 0 HB2 GLN A 63 0.761 4.877 15.039 1.00 52.44 H new ATOM 0 HB3 GLN A 63 0.184 3.715 16.217 1.00 52.44 H new ATOM 0 HG2 GLN A 63 -1.723 4.973 15.478 1.00 72.25 H new ATOM 0 HG3 GLN A 63 -1.387 5.471 17.124 1.00 72.25 H new ATOM 0 HE21 GLN A 63 -2.526 7.446 16.899 1.00 23.53 H new ATOM 0 HE22 GLN A 63 -1.903 8.782 15.925 1.00 23.53 H new ATOM 1108 N LEU A 64 2.538 3.130 17.668 1.00 41.42 N ATOM 1109 CA LEU A 64 3.671 2.184 17.898 1.00 75.42 C ATOM 1110 C LEU A 64 3.951 1.327 16.634 1.00 73.22 C ATOM 1111 O LEU A 64 3.857 0.095 16.638 1.00 62.14 O ATOM 1112 CB LEU A 64 3.405 1.283 19.152 1.00 5.12 C ATOM 1113 CG LEU A 64 3.290 2.003 20.550 1.00 1.40 C ATOM 1114 CD1 LEU A 64 4.494 2.928 20.814 1.00 4.54 C ATOM 1115 CD2 LEU A 64 1.947 2.762 20.707 1.00 75.24 C ATOM 0 H LEU A 64 1.643 2.780 18.010 1.00 41.42 H new ATOM 0 HA LEU A 64 4.565 2.774 18.099 1.00 75.42 H new ATOM 0 HB2 LEU A 64 2.481 0.731 18.980 1.00 5.12 H new ATOM 0 HB3 LEU A 64 4.208 0.549 19.216 1.00 5.12 H new ATOM 0 HG LEU A 64 3.305 1.221 21.309 1.00 1.40 H new ATOM 0 HD11 LEU A 64 4.379 3.406 21.787 1.00 4.54 H new ATOM 0 HD12 LEU A 64 5.413 2.341 20.805 1.00 4.54 H new ATOM 0 HD13 LEU A 64 4.543 3.692 20.038 1.00 4.54 H new ATOM 0 HD21 LEU A 64 1.913 3.242 21.685 1.00 75.24 H new ATOM 0 HD22 LEU A 64 1.864 3.520 19.928 1.00 75.24 H new ATOM 0 HD23 LEU A 64 1.119 2.059 20.619 1.00 75.24 H new ATOM 1127 N SER A 65 4.297 2.024 15.560 1.00 60.44 N ATOM 1128 CA SER A 65 4.476 1.459 14.213 1.00 30.12 C ATOM 1129 C SER A 65 5.891 0.873 14.010 1.00 21.34 C ATOM 1130 O SER A 65 6.835 1.628 13.772 1.00 43.52 O ATOM 1131 CB SER A 65 4.208 2.569 13.191 1.00 50.45 C ATOM 1132 OG SER A 65 2.971 3.219 13.446 1.00 63.44 O ATOM 0 H SER A 65 4.468 3.029 15.594 1.00 60.44 H new ATOM 0 HA SER A 65 3.775 0.635 14.081 1.00 30.12 H new ATOM 0 HB2 SER A 65 5.018 3.298 13.223 1.00 50.45 H new ATOM 0 HB3 SER A 65 4.199 2.146 12.186 1.00 50.45 H new ATOM 0 HG SER A 65 3.072 4.183 13.301 1.00 63.44 H new ATOM 1138 N SER A 66 6.007 -0.477 14.079 1.00 10.12 N ATOM 1139 CA SER A 66 7.312 -1.200 14.076 1.00 30.14 C ATOM 1140 C SER A 66 8.237 -0.669 15.197 1.00 61.21 C ATOM 1141 O SER A 66 9.446 -0.476 15.004 1.00 31.44 O ATOM 1142 CB SER A 66 7.999 -1.130 12.682 1.00 50.01 C ATOM 1143 OG SER A 66 7.198 -1.736 11.676 1.00 13.24 O ATOM 0 H SER A 66 5.200 -1.099 14.138 1.00 10.12 H new ATOM 0 HA SER A 66 7.113 -2.252 14.280 1.00 30.14 H new ATOM 0 HB2 SER A 66 8.188 -0.089 12.420 1.00 50.01 H new ATOM 0 HB3 SER A 66 8.967 -1.628 12.727 1.00 50.01 H new ATOM 0 HG SER A 66 7.656 -1.674 10.812 1.00 13.24 H new ATOM 1149 N GLU A 67 7.636 -0.441 16.374 1.00 54.42 N ATOM 1150 CA GLU A 67 8.329 0.100 17.565 1.00 50.03 C ATOM 1151 C GLU A 67 9.392 -0.893 18.112 1.00 71.34 C ATOM 1152 O GLU A 67 9.183 -2.116 18.101 1.00 75.24 O ATOM 1153 CB GLU A 67 7.276 0.434 18.659 1.00 3.11 C ATOM 1154 CG GLU A 67 7.836 1.024 19.978 1.00 54.12 C ATOM 1155 CD GLU A 67 8.570 2.367 19.793 1.00 1.34 C ATOM 1156 OE1 GLU A 67 7.897 3.416 19.668 1.00 32.52 O ATOM 1157 OE2 GLU A 67 9.822 2.380 19.759 1.00 51.01 O ATOM 0 H GLU A 67 6.646 -0.627 16.533 1.00 54.42 H new ATOM 0 HA GLU A 67 8.859 1.008 17.276 1.00 50.03 H new ATOM 0 HB2 GLU A 67 6.559 1.142 18.242 1.00 3.11 H new ATOM 0 HB3 GLU A 67 6.725 -0.476 18.896 1.00 3.11 H new ATOM 0 HG2 GLU A 67 7.015 1.163 20.681 1.00 54.12 H new ATOM 0 HG3 GLU A 67 8.521 0.304 20.426 1.00 54.12 H new ATOM 1164 N LEU A 68 10.527 -0.344 18.591 1.00 75.05 N ATOM 1165 CA LEU A 68 11.644 -1.135 19.146 1.00 41.32 C ATOM 1166 C LEU A 68 11.246 -1.834 20.471 1.00 52.11 C ATOM 1167 O LEU A 68 10.744 -1.196 21.403 1.00 63.31 O ATOM 1168 CB LEU A 68 12.879 -0.222 19.366 1.00 71.33 C ATOM 1169 CG LEU A 68 13.474 0.436 18.088 1.00 53.32 C ATOM 1170 CD1 LEU A 68 14.691 1.318 18.432 1.00 74.30 C ATOM 1171 CD2 LEU A 68 13.825 -0.621 17.020 1.00 64.14 C ATOM 0 H LEU A 68 10.695 0.662 18.604 1.00 75.05 H new ATOM 0 HA LEU A 68 11.895 -1.915 18.427 1.00 41.32 H new ATOM 0 HB2 LEU A 68 12.602 0.569 20.063 1.00 71.33 H new ATOM 0 HB3 LEU A 68 13.661 -0.811 19.846 1.00 71.33 H new ATOM 0 HG LEU A 68 12.708 1.084 17.662 1.00 53.32 H new ATOM 0 HD11 LEU A 68 15.086 1.765 17.520 1.00 74.30 H new ATOM 0 HD12 LEU A 68 14.386 2.107 19.120 1.00 74.30 H new ATOM 0 HD13 LEU A 68 15.463 0.707 18.900 1.00 74.30 H new ATOM 0 HD21 LEU A 68 14.238 -0.127 16.141 1.00 64.14 H new ATOM 0 HD22 LEU A 68 14.560 -1.316 17.424 1.00 64.14 H new ATOM 0 HD23 LEU A 68 12.925 -1.168 16.739 1.00 64.14 H new ATOM 1183 N GLY A 69 11.476 -3.153 20.526 1.00 74.45 N ATOM 1184 CA GLY A 69 11.140 -3.972 21.699 1.00 62.53 C ATOM 1185 C GLY A 69 11.901 -5.293 21.736 1.00 5.22 C ATOM 1186 O GLY A 69 12.795 -5.537 20.923 1.00 14.33 O ATOM 0 H GLY A 69 11.898 -3.681 19.762 1.00 74.45 H new ATOM 0 HA2 GLY A 69 11.358 -3.407 22.605 1.00 62.53 H new ATOM 0 HA3 GLY A 69 10.069 -4.175 21.700 1.00 62.53 H new TER 1190 GLY A 69