USER MOD reduce.3.24.130724 H: found=0, std=0, add=849, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 848 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 129 LYS NZ :NH3+ 160:sc= 1.12 (180deg=0) USER MOD Set 1.2: A 219 THR OG1 : rot 120:sc= 0.959 USER MOD Set 2.1: A 140 SER OG : rot 81:sc= 0.732 USER MOD Set 2.2: A 171 MET CE :methyl 142:sc= -0.299 (180deg=-0.819) USER MOD Set 3.1: A 153 THR OG1 : rot 180:sc= 0.00646 USER MOD Set 3.2: A 166 LYS NZ :NH3+ -167:sc=-0.00523 (180deg=-0.147) USER MOD Set 3.3: A 168 THR OG1 : rot -110:sc= -0.294 USER MOD Set 4.1: A 150 SER OG : rot -129:sc= 1.3 USER MOD Set 4.2: A 169 HIS : no HD1:sc= 1.74 K(o=3,f=-9.3!) USER MOD Set 5.1: A 134 SER OG : rot -150:sc= 0.543 USER MOD Set 5.2: A 214 GLN : amide:sc= -1.16! X(o=-0.62!,f=-0.69) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.00279 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 114 HIS : no HD1:sc= -0.249 K(o=-0.25,f=-5.3!) USER MOD Single : A 116 HIS : no HD1:sc= 0 X(o=0,f=-0.004) USER MOD Single : A 118 SER OG : rot -95:sc= 0.661 USER MOD Single : A 120 LYS NZ :NH3+ 139:sc= 1.26 (180deg=0.961) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 THR OG1 : rot 98:sc= 1.24 USER MOD Single : A 131 LYS NZ :NH3+ -166:sc= -0.0074 (180deg=-0.175) USER MOD Single : A 132 HIS : no HE2:sc= 1.21 K(o=1.2,f=-5.2!) USER MOD Single : A 141 GLN : amide:sc= -1.06 X(o=-1.1,f=-1.1) USER MOD Single : A 142 SER OG : rot 180:sc= 0 USER MOD Single : A 143 HIS : no HD1:sc=-0.00337 X(o=-0.0034,f=-0.0065) USER MOD Single : A 174 CYS SG : rot 99:sc= 0.625 USER MOD Single : A 175 GLN : amide:sc= 0.0257 K(o=0.026,f=-3.7!) USER MOD Single : A 178 LYS NZ :NH3+ -155:sc= 1.12 (180deg=0.611) USER MOD Single : A 179 TYR OH : rot 110:sc= -0.372 USER MOD Single : A 189 SER OG : rot 180:sc= 0 USER MOD Single : A 191 THR OG1 : rot 180:sc= 0.0086 USER MOD Single : A 196 HIS : no HE2:sc= 0.0133 X(o=0.013,f=-0.11) USER MOD Single : A 197 TYR OH : rot -150:sc= 1.37 USER MOD Single : A 198 LYS NZ :NH3+ 151:sc= 1.21 (180deg=0.907) USER MOD Single : A 199 LYS NZ :NH3+ -172:sc= -0.0037 (180deg=-0.0989) USER MOD Single : A 200 ASN : amide:sc= 0.725 K(o=0.73,f=0) USER MOD Single : A 202 MET CE :methyl 173:sc= -5.28! (180deg=-5.77!) USER MOD Single : A 205 THR OG1 : rot -31:sc= 0.0825 USER MOD Single : A 208 THR OG1 : rot 180:sc= 0 USER MOD Single : A 211 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 213 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 217 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 218 THR OG1 : rot 180:sc= 0.0506 USER MOD Single : B 1 ALA N :NH3+ -135:sc= 1.09 (180deg=-0.827) USER MOD Single : B 2 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 63 N PRO A 107 -15.072 4.627 3.536 1.00 0.00 N ATOM 64 CA PRO A 107 -14.203 3.759 4.330 1.00 0.00 C ATOM 65 C PRO A 107 -12.752 4.171 4.154 1.00 0.00 C ATOM 66 O PRO A 107 -11.847 3.657 4.807 1.00 0.00 O ATOM 67 CB PRO A 107 -14.444 2.354 3.758 1.00 0.00 C ATOM 68 CG PRO A 107 -15.453 2.508 2.660 1.00 0.00 C ATOM 69 CD PRO A 107 -15.491 3.966 2.295 1.00 0.00 C ATOM 0 HA PRO A 107 -14.415 3.811 5.398 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -13.517 1.927 3.376 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -14.812 1.679 4.531 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -15.178 1.902 1.797 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -16.435 2.168 2.989 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -14.817 4.193 1.469 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -16.489 4.279 1.988 1.00 0.00 H new ATOM 77 N THR A 108 -12.561 5.098 3.234 1.00 0.00 N ATOM 78 CA THR A 108 -11.259 5.606 2.881 1.00 0.00 C ATOM 79 C THR A 108 -10.986 6.926 3.595 1.00 0.00 C ATOM 80 O THR A 108 -10.001 7.604 3.316 1.00 0.00 O ATOM 81 CB THR A 108 -11.165 5.801 1.361 1.00 0.00 C ATOM 82 OG1 THR A 108 -12.242 6.634 0.913 1.00 0.00 O ATOM 83 CG2 THR A 108 -11.228 4.461 0.642 1.00 0.00 C ATOM 0 H THR A 108 -13.323 5.523 2.705 1.00 0.00 H new ATOM 0 HA THR A 108 -10.508 4.881 3.195 1.00 0.00 H new ATOM 0 HB THR A 108 -10.211 6.277 1.132 1.00 0.00 H new ATOM 0 HG1 THR A 108 -12.178 6.758 -0.057 1.00 0.00 H new ATOM 0 HG21 THR A 108 -11.160 4.622 -0.434 1.00 0.00 H new ATOM 0 HG22 THR A 108 -10.399 3.834 0.968 1.00 0.00 H new ATOM 0 HG23 THR A 108 -12.171 3.967 0.876 1.00 0.00 H new ATOM 91 N SER A 109 -11.872 7.294 4.516 1.00 0.00 N ATOM 92 CA SER A 109 -11.750 8.551 5.248 1.00 0.00 C ATOM 93 C SER A 109 -10.649 8.479 6.311 1.00 0.00 C ATOM 94 O SER A 109 -10.758 9.085 7.377 1.00 0.00 O ATOM 95 CB SER A 109 -13.087 8.901 5.896 1.00 0.00 C ATOM 96 OG SER A 109 -13.522 7.857 6.750 1.00 0.00 O ATOM 0 H SER A 109 -12.686 6.736 4.774 1.00 0.00 H new ATOM 0 HA SER A 109 -11.473 9.331 4.539 1.00 0.00 H new ATOM 0 HB2 SER A 109 -12.989 9.825 6.465 1.00 0.00 H new ATOM 0 HB3 SER A 109 -13.835 9.080 5.123 1.00 0.00 H new ATOM 0 HG SER A 109 -14.379 8.102 7.156 1.00 0.00 H new ATOM 102 N GLU A 110 -9.589 7.749 6.006 1.00 0.00 N ATOM 103 CA GLU A 110 -8.462 7.601 6.906 1.00 0.00 C ATOM 104 C GLU A 110 -7.224 8.219 6.268 1.00 0.00 C ATOM 105 O GLU A 110 -7.151 8.347 5.047 1.00 0.00 O ATOM 106 CB GLU A 110 -8.227 6.125 7.217 1.00 0.00 C ATOM 107 CG GLU A 110 -9.424 5.429 7.853 1.00 0.00 C ATOM 108 CD GLU A 110 -9.866 6.088 9.144 1.00 0.00 C ATOM 109 OE1 GLU A 110 -11.023 6.548 9.212 1.00 0.00 O ATOM 110 OE2 GLU A 110 -9.057 6.149 10.097 1.00 0.00 O1- ATOM 0 H GLU A 110 -9.487 7.243 5.126 1.00 0.00 H new ATOM 0 HA GLU A 110 -8.674 8.116 7.843 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -7.966 5.607 6.294 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -7.371 6.037 7.885 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -10.255 5.427 7.148 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -9.171 4.387 8.050 1.00 0.00 H new ATOM 117 N ARG A 111 -6.252 8.591 7.092 1.00 0.00 N ATOM 118 CA ARG A 111 -5.141 9.428 6.640 1.00 0.00 C ATOM 119 C ARG A 111 -4.116 8.663 5.805 1.00 0.00 C ATOM 120 O ARG A 111 -3.256 9.276 5.174 1.00 0.00 O ATOM 121 CB ARG A 111 -4.452 10.093 7.832 1.00 0.00 C ATOM 122 CG ARG A 111 -5.386 10.944 8.679 1.00 0.00 C ATOM 123 CD ARG A 111 -6.086 12.013 7.850 1.00 0.00 C ATOM 124 NE ARG A 111 -7.016 12.799 8.657 1.00 0.00 N ATOM 125 CZ ARG A 111 -7.627 13.907 8.239 1.00 0.00 C ATOM 126 NH1 ARG A 111 -7.422 14.365 7.012 1.00 0.00 N1+ ATOM 127 NH2 ARG A 111 -8.455 14.547 9.051 1.00 0.00 N ATOM 0 H ARG A 111 -6.208 8.328 8.077 1.00 0.00 H new ATOM 0 HA ARG A 111 -5.574 10.191 5.992 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -4.007 9.322 8.460 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -3.636 10.717 7.467 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -6.132 10.305 9.152 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -4.819 11.419 9.480 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -5.342 12.674 7.405 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -6.626 11.541 7.029 1.00 0.00 H new ATOM 0 HE ARG A 111 -7.211 12.478 9.605 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -6.793 13.869 6.381 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -7.893 15.214 6.699 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -8.623 14.191 9.992 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -8.925 15.395 8.735 1.00 0.00 H new ATOM 141 N TRP A 112 -4.199 7.339 5.795 1.00 0.00 N ATOM 142 CA TRP A 112 -3.306 6.541 4.960 1.00 0.00 C ATOM 143 C TRP A 112 -3.861 6.409 3.543 1.00 0.00 C ATOM 144 O TRP A 112 -3.153 6.007 2.624 1.00 0.00 O ATOM 145 CB TRP A 112 -3.035 5.161 5.575 1.00 0.00 C ATOM 146 CG TRP A 112 -4.193 4.577 6.326 1.00 0.00 C ATOM 147 CD1 TRP A 112 -4.369 4.584 7.679 1.00 0.00 C ATOM 148 CD2 TRP A 112 -5.326 3.895 5.780 1.00 0.00 C ATOM 149 NE1 TRP A 112 -5.543 3.956 8.006 1.00 0.00 N ATOM 150 CE2 TRP A 112 -6.148 3.524 6.859 1.00 0.00 C ATOM 151 CE3 TRP A 112 -5.728 3.567 4.486 1.00 0.00 C ATOM 152 CZ2 TRP A 112 -7.345 2.841 6.681 1.00 0.00 C ATOM 153 CZ3 TRP A 112 -6.919 2.888 4.312 1.00 0.00 C ATOM 154 CH2 TRP A 112 -7.715 2.535 5.404 1.00 0.00 C ATOM 0 H TRP A 112 -4.865 6.799 6.347 1.00 0.00 H new ATOM 0 HA TRP A 112 -2.352 7.065 4.906 1.00 0.00 H new ATOM 0 HB2 TRP A 112 -2.750 4.472 4.780 1.00 0.00 H new ATOM 0 HB3 TRP A 112 -2.183 5.239 6.250 1.00 0.00 H new ATOM 0 HD1 TRP A 112 -3.683 5.021 8.389 1.00 0.00 H new ATOM 0 HE1 TRP A 112 -5.906 3.831 8.951 1.00 0.00 H new ATOM 0 HE3 TRP A 112 -5.120 3.838 3.636 1.00 0.00 H new ATOM 0 HZ2 TRP A 112 -7.960 2.562 7.524 1.00 0.00 H new ATOM 0 HZ3 TRP A 112 -7.240 2.626 3.315 1.00 0.00 H new ATOM 0 HH2 TRP A 112 -8.643 2.009 5.234 1.00 0.00 H new ATOM 165 N PHE A 113 -5.131 6.742 3.375 1.00 0.00 N ATOM 166 CA PHE A 113 -5.732 6.832 2.056 1.00 0.00 C ATOM 167 C PHE A 113 -5.322 8.129 1.374 1.00 0.00 C ATOM 168 O PHE A 113 -5.565 9.223 1.887 1.00 0.00 O ATOM 169 CB PHE A 113 -7.256 6.753 2.160 1.00 0.00 C ATOM 170 CG PHE A 113 -7.982 7.080 0.880 1.00 0.00 C ATOM 171 CD1 PHE A 113 -8.580 8.319 0.705 1.00 0.00 C ATOM 172 CD2 PHE A 113 -8.081 6.147 -0.136 1.00 0.00 C ATOM 173 CE1 PHE A 113 -9.263 8.617 -0.458 1.00 0.00 C ATOM 174 CE2 PHE A 113 -8.760 6.440 -1.301 1.00 0.00 C ATOM 175 CZ PHE A 113 -9.353 7.676 -1.462 1.00 0.00 C ATOM 0 H PHE A 113 -5.768 6.956 4.142 1.00 0.00 H new ATOM 0 HA PHE A 113 -5.377 5.994 1.457 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -7.535 5.748 2.476 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -7.591 7.437 2.939 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -8.511 9.060 1.488 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -7.621 5.177 -0.016 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -9.726 9.585 -0.581 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -8.827 5.702 -2.087 1.00 0.00 H new ATOM 0 HZ PHE A 113 -9.886 7.906 -2.373 1.00 0.00 H new ATOM 185 N HIS A 114 -4.676 7.997 0.235 1.00 0.00 N ATOM 186 CA HIS A 114 -4.308 9.136 -0.583 1.00 0.00 C ATOM 187 C HIS A 114 -4.951 8.970 -1.953 1.00 0.00 C ATOM 188 O HIS A 114 -4.516 8.143 -2.748 1.00 0.00 O ATOM 189 CB HIS A 114 -2.787 9.227 -0.741 1.00 0.00 C ATOM 190 CG HIS A 114 -2.012 9.467 0.526 1.00 0.00 C ATOM 191 ND1 HIS A 114 -0.956 10.354 0.596 1.00 0.00 N ATOM 192 CD2 HIS A 114 -2.091 8.890 1.750 1.00 0.00 C ATOM 193 CE1 HIS A 114 -0.416 10.301 1.800 1.00 0.00 C ATOM 194 NE2 HIS A 114 -1.089 9.425 2.520 1.00 0.00 N ATOM 0 H HIS A 114 -4.390 7.097 -0.151 1.00 0.00 H new ATOM 0 HA HIS A 114 -4.655 10.051 -0.102 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -2.431 8.301 -1.193 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -2.560 10.031 -1.441 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -2.810 8.147 2.062 1.00 0.00 H new ATOM 0 HE1 HIS A 114 0.433 10.877 2.138 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -0.896 9.184 3.492 1.00 0.00 H new ATOM 203 N GLY A 115 -5.980 9.751 -2.226 1.00 0.00 N ATOM 204 CA GLY A 115 -6.763 9.548 -3.428 1.00 0.00 C ATOM 205 C GLY A 115 -6.058 9.997 -4.693 1.00 0.00 C ATOM 206 O GLY A 115 -6.039 9.277 -5.692 1.00 0.00 O ATOM 0 H GLY A 115 -6.290 10.524 -1.637 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -7.011 8.490 -3.516 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -7.704 10.090 -3.335 1.00 0.00 H new ATOM 210 N HIS A 116 -5.467 11.179 -4.657 1.00 0.00 N ATOM 211 CA HIS A 116 -4.881 11.758 -5.856 1.00 0.00 C ATOM 212 C HIS A 116 -3.375 11.535 -5.894 1.00 0.00 C ATOM 213 O HIS A 116 -2.594 12.404 -5.504 1.00 0.00 O ATOM 214 CB HIS A 116 -5.202 13.253 -5.938 1.00 0.00 C ATOM 215 CG HIS A 116 -6.673 13.552 -5.936 1.00 0.00 C ATOM 216 ND1 HIS A 116 -7.290 14.286 -4.948 1.00 0.00 N ATOM 217 CD2 HIS A 116 -7.650 13.211 -6.810 1.00 0.00 C ATOM 218 CE1 HIS A 116 -8.578 14.385 -5.214 1.00 0.00 C ATOM 219 NE2 HIS A 116 -8.823 13.741 -6.338 1.00 0.00 N ATOM 0 H HIS A 116 -5.380 11.753 -3.819 1.00 0.00 H new ATOM 0 HA HIS A 116 -5.317 11.257 -6.720 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -4.735 13.763 -5.096 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -4.758 13.662 -6.845 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -7.528 12.629 -7.712 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -9.309 14.906 -4.613 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -9.736 13.652 -6.784 1.00 0.00 H new ATOM 228 N LEU A 117 -2.979 10.361 -6.371 1.00 0.00 N ATOM 229 CA LEU A 117 -1.573 10.008 -6.509 1.00 0.00 C ATOM 230 C LEU A 117 -1.372 9.076 -7.693 1.00 0.00 C ATOM 231 O LEU A 117 -2.169 8.163 -7.914 1.00 0.00 O ATOM 232 CB LEU A 117 -1.043 9.303 -5.253 1.00 0.00 C ATOM 233 CG LEU A 117 -0.789 10.179 -4.026 1.00 0.00 C ATOM 234 CD1 LEU A 117 -0.300 9.324 -2.874 1.00 0.00 C ATOM 235 CD2 LEU A 117 0.232 11.260 -4.330 1.00 0.00 C ATOM 0 H LEU A 117 -3.622 9.629 -6.672 1.00 0.00 H new ATOM 0 HA LEU A 117 -1.026 10.939 -6.660 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -1.754 8.526 -4.974 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -0.110 8.803 -5.512 1.00 0.00 H new ATOM 0 HG LEU A 117 -1.728 10.660 -3.751 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -0.121 9.955 -2.003 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -1.054 8.575 -2.631 1.00 0.00 H new ATOM 0 HD13 LEU A 117 0.627 8.826 -3.158 1.00 0.00 H new ATOM 0 HD21 LEU A 117 0.394 11.868 -3.440 1.00 0.00 H new ATOM 0 HD22 LEU A 117 1.173 10.798 -4.630 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -0.136 11.891 -5.139 1.00 0.00 H new ATOM 247 N SER A 118 -0.320 9.316 -8.454 1.00 0.00 N ATOM 248 CA SER A 118 0.112 8.371 -9.467 1.00 0.00 C ATOM 249 C SER A 118 1.119 7.406 -8.856 1.00 0.00 C ATOM 250 O SER A 118 1.524 7.584 -7.701 1.00 0.00 O ATOM 251 CB SER A 118 0.727 9.102 -10.660 1.00 0.00 C ATOM 252 OG SER A 118 1.714 10.024 -10.236 1.00 0.00 O ATOM 0 H SER A 118 0.252 10.158 -8.390 1.00 0.00 H new ATOM 0 HA SER A 118 -0.752 7.812 -9.826 1.00 0.00 H new ATOM 0 HB2 SER A 118 1.170 8.379 -11.345 1.00 0.00 H new ATOM 0 HB3 SER A 118 -0.053 9.627 -11.211 1.00 0.00 H new ATOM 0 HG SER A 118 1.314 10.915 -10.151 1.00 0.00 H new ATOM 258 N GLY A 119 1.511 6.390 -9.613 1.00 0.00 N ATOM 259 CA GLY A 119 2.464 5.415 -9.118 1.00 0.00 C ATOM 260 C GLY A 119 3.719 6.052 -8.553 1.00 0.00 C ATOM 261 O GLY A 119 4.129 5.735 -7.436 1.00 0.00 O ATOM 0 H GLY A 119 1.185 6.223 -10.565 1.00 0.00 H new ATOM 0 HA2 GLY A 119 1.990 4.810 -8.345 1.00 0.00 H new ATOM 0 HA3 GLY A 119 2.738 4.739 -9.928 1.00 0.00 H new ATOM 265 N LYS A 120 4.308 6.973 -9.308 1.00 0.00 N ATOM 266 CA LYS A 120 5.560 7.608 -8.907 1.00 0.00 C ATOM 267 C LYS A 120 5.355 8.661 -7.825 1.00 0.00 C ATOM 268 O LYS A 120 6.224 8.854 -6.980 1.00 0.00 O ATOM 269 CB LYS A 120 6.261 8.215 -10.120 1.00 0.00 C ATOM 270 CG LYS A 120 6.712 7.174 -11.129 1.00 0.00 C ATOM 271 CD LYS A 120 7.715 6.210 -10.515 1.00 0.00 C ATOM 272 CE LYS A 120 8.039 5.065 -11.453 1.00 0.00 C ATOM 273 NZ LYS A 120 9.023 4.131 -10.854 1.00 0.00 N1+ ATOM 0 H LYS A 120 3.939 7.297 -10.202 1.00 0.00 H new ATOM 0 HA LYS A 120 6.194 6.831 -8.480 1.00 0.00 H new ATOM 0 HB2 LYS A 120 5.586 8.918 -10.609 1.00 0.00 H new ATOM 0 HB3 LYS A 120 7.127 8.786 -9.784 1.00 0.00 H new ATOM 0 HG2 LYS A 120 5.848 6.619 -11.494 1.00 0.00 H new ATOM 0 HG3 LYS A 120 7.160 7.669 -11.990 1.00 0.00 H new ATOM 0 HD2 LYS A 120 8.630 6.747 -10.266 1.00 0.00 H new ATOM 0 HD3 LYS A 120 7.315 5.814 -9.582 1.00 0.00 H new ATOM 0 HE2 LYS A 120 7.125 4.524 -11.697 1.00 0.00 H new ATOM 0 HE3 LYS A 120 8.435 5.461 -12.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 8.749 3.152 -11.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 9.967 4.321 -11.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 9.045 4.264 -9.823 1.00 0.00 H new ATOM 287 N GLU A 121 4.215 9.341 -7.836 1.00 0.00 N ATOM 288 CA GLU A 121 3.917 10.307 -6.784 1.00 0.00 C ATOM 289 C GLU A 121 3.800 9.597 -5.442 1.00 0.00 C ATOM 290 O GLU A 121 4.387 10.020 -4.451 1.00 0.00 O ATOM 291 CB GLU A 121 2.632 11.076 -7.086 1.00 0.00 C ATOM 292 CG GLU A 121 2.764 12.056 -8.236 1.00 0.00 C ATOM 293 CD GLU A 121 1.465 12.770 -8.537 1.00 0.00 C ATOM 294 OE1 GLU A 121 0.587 12.161 -9.183 1.00 0.00 O ATOM 295 OE2 GLU A 121 1.315 13.943 -8.133 1.00 0.00 O1- ATOM 0 H GLU A 121 3.492 9.245 -8.549 1.00 0.00 H new ATOM 0 HA GLU A 121 4.736 11.025 -6.741 1.00 0.00 H new ATOM 0 HB2 GLU A 121 1.839 10.365 -7.316 1.00 0.00 H new ATOM 0 HB3 GLU A 121 2.325 11.618 -6.192 1.00 0.00 H new ATOM 0 HG2 GLU A 121 3.533 12.791 -7.997 1.00 0.00 H new ATOM 0 HG3 GLU A 121 3.098 11.524 -9.127 1.00 0.00 H new ATOM 302 N ALA A 122 3.059 8.497 -5.431 1.00 0.00 N ATOM 303 CA ALA A 122 2.901 7.687 -4.231 1.00 0.00 C ATOM 304 C ALA A 122 4.220 7.037 -3.844 1.00 0.00 C ATOM 305 O ALA A 122 4.507 6.828 -2.665 1.00 0.00 O ATOM 306 CB ALA A 122 1.838 6.634 -4.455 1.00 0.00 C ATOM 0 H ALA A 122 2.555 8.144 -6.245 1.00 0.00 H new ATOM 0 HA ALA A 122 2.589 8.335 -3.412 1.00 0.00 H new ATOM 0 HB1 ALA A 122 1.726 6.032 -3.553 1.00 0.00 H new ATOM 0 HB2 ALA A 122 0.890 7.118 -4.688 1.00 0.00 H new ATOM 0 HB3 ALA A 122 2.131 5.992 -5.285 1.00 0.00 H new ATOM 312 N GLU A 123 5.002 6.700 -4.856 1.00 0.00 N ATOM 313 CA GLU A 123 6.325 6.135 -4.658 1.00 0.00 C ATOM 314 C GLU A 123 7.203 7.153 -3.933 1.00 0.00 C ATOM 315 O GLU A 123 7.809 6.852 -2.905 1.00 0.00 O ATOM 316 CB GLU A 123 6.908 5.768 -6.027 1.00 0.00 C ATOM 317 CG GLU A 123 8.027 4.747 -5.995 1.00 0.00 C ATOM 318 CD GLU A 123 7.974 3.823 -7.199 1.00 0.00 C ATOM 319 OE1 GLU A 123 8.720 4.059 -8.172 1.00 0.00 O ATOM 320 OE2 GLU A 123 7.162 2.868 -7.185 1.00 0.00 O1- ATOM 0 H GLU A 123 4.738 6.810 -5.835 1.00 0.00 H new ATOM 0 HA GLU A 123 6.276 5.235 -4.046 1.00 0.00 H new ATOM 0 HB2 GLU A 123 6.105 5.384 -6.656 1.00 0.00 H new ATOM 0 HB3 GLU A 123 7.279 6.676 -6.502 1.00 0.00 H new ATOM 0 HG2 GLU A 123 8.988 5.260 -5.971 1.00 0.00 H new ATOM 0 HG3 GLU A 123 7.957 4.158 -5.080 1.00 0.00 H new ATOM 327 N LYS A 124 7.217 8.372 -4.457 1.00 0.00 N ATOM 328 CA LYS A 124 7.939 9.488 -3.855 1.00 0.00 C ATOM 329 C LYS A 124 7.435 9.774 -2.436 1.00 0.00 C ATOM 330 O LYS A 124 8.215 10.142 -1.555 1.00 0.00 O ATOM 331 CB LYS A 124 7.787 10.734 -4.735 1.00 0.00 C ATOM 332 CG LYS A 124 8.556 11.947 -4.237 1.00 0.00 C ATOM 333 CD LYS A 124 8.331 13.151 -5.138 1.00 0.00 C ATOM 334 CE LYS A 124 9.035 14.390 -4.607 1.00 0.00 C ATOM 335 NZ LYS A 124 8.765 15.587 -5.445 1.00 0.00 N1+ ATOM 0 H LYS A 124 6.725 8.617 -5.316 1.00 0.00 H new ATOM 0 HA LYS A 124 8.993 9.220 -3.785 1.00 0.00 H new ATOM 0 HB2 LYS A 124 8.122 10.495 -5.744 1.00 0.00 H new ATOM 0 HB3 LYS A 124 6.730 10.991 -4.802 1.00 0.00 H new ATOM 0 HG2 LYS A 124 8.243 12.187 -3.221 1.00 0.00 H new ATOM 0 HG3 LYS A 124 9.620 11.714 -4.196 1.00 0.00 H new ATOM 0 HD2 LYS A 124 8.694 12.928 -6.141 1.00 0.00 H new ATOM 0 HD3 LYS A 124 7.262 13.348 -5.222 1.00 0.00 H new ATOM 0 HE2 LYS A 124 8.709 14.582 -3.585 1.00 0.00 H new ATOM 0 HE3 LYS A 124 10.109 14.208 -4.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 9.264 16.409 -5.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 9.099 15.415 -6.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 7.743 15.777 -5.460 1.00 0.00 H new ATOM 349 N LEU A 125 6.134 9.578 -2.222 1.00 0.00 N ATOM 350 CA LEU A 125 5.503 9.849 -0.929 1.00 0.00 C ATOM 351 C LEU A 125 6.198 9.065 0.179 1.00 0.00 C ATOM 352 O LEU A 125 6.636 9.627 1.183 1.00 0.00 O ATOM 353 CB LEU A 125 4.031 9.398 -0.985 1.00 0.00 C ATOM 354 CG LEU A 125 2.950 10.476 -0.929 1.00 0.00 C ATOM 355 CD1 LEU A 125 2.912 11.151 0.418 1.00 0.00 C ATOM 356 CD2 LEU A 125 3.142 11.487 -2.025 1.00 0.00 C ATOM 0 H LEU A 125 5.491 9.230 -2.934 1.00 0.00 H new ATOM 0 HA LEU A 125 5.577 10.916 -0.721 1.00 0.00 H new ATOM 0 HB2 LEU A 125 3.890 8.831 -1.905 1.00 0.00 H new ATOM 0 HB3 LEU A 125 3.860 8.710 -0.157 1.00 0.00 H new ATOM 0 HG LEU A 125 1.989 9.984 -1.081 1.00 0.00 H new ATOM 0 HD11 LEU A 125 2.132 11.912 0.422 1.00 0.00 H new ATOM 0 HD12 LEU A 125 2.701 10.411 1.190 1.00 0.00 H new ATOM 0 HD13 LEU A 125 3.876 11.619 0.618 1.00 0.00 H new ATOM 0 HD21 LEU A 125 2.360 12.244 -1.963 1.00 0.00 H new ATOM 0 HD22 LEU A 125 4.116 11.963 -1.915 1.00 0.00 H new ATOM 0 HD23 LEU A 125 3.089 10.989 -2.993 1.00 0.00 H new ATOM 368 N LEU A 126 6.315 7.766 -0.026 1.00 0.00 N ATOM 369 CA LEU A 126 6.920 6.883 0.957 1.00 0.00 C ATOM 370 C LEU A 126 8.436 7.000 0.990 1.00 0.00 C ATOM 371 O LEU A 126 9.035 7.082 2.061 1.00 0.00 O ATOM 372 CB LEU A 126 6.522 5.446 0.676 1.00 0.00 C ATOM 373 CG LEU A 126 5.037 5.165 0.825 1.00 0.00 C ATOM 374 CD1 LEU A 126 4.695 3.850 0.172 1.00 0.00 C ATOM 375 CD2 LEU A 126 4.641 5.145 2.293 1.00 0.00 C ATOM 0 H LEU A 126 5.996 7.295 -0.872 1.00 0.00 H new ATOM 0 HA LEU A 126 6.549 7.189 1.935 1.00 0.00 H new ATOM 0 HB2 LEU A 126 6.828 5.189 -0.338 1.00 0.00 H new ATOM 0 HB3 LEU A 126 7.073 4.791 1.351 1.00 0.00 H new ATOM 0 HG LEU A 126 4.479 5.961 0.332 1.00 0.00 H new ATOM 0 HD11 LEU A 126 3.628 3.655 0.283 1.00 0.00 H new ATOM 0 HD12 LEU A 126 4.948 3.893 -0.887 1.00 0.00 H new ATOM 0 HD13 LEU A 126 5.261 3.049 0.648 1.00 0.00 H new ATOM 0 HD21 LEU A 126 3.573 4.942 2.379 1.00 0.00 H new ATOM 0 HD22 LEU A 126 5.201 4.366 2.810 1.00 0.00 H new ATOM 0 HD23 LEU A 126 4.864 6.112 2.743 1.00 0.00 H new ATOM 387 N THR A 127 9.053 6.984 -0.185 1.00 0.00 N ATOM 388 CA THR A 127 10.506 6.935 -0.286 1.00 0.00 C ATOM 389 C THR A 127 11.152 8.163 0.365 1.00 0.00 C ATOM 390 O THR A 127 12.250 8.076 0.915 1.00 0.00 O ATOM 391 CB THR A 127 10.952 6.812 -1.762 1.00 0.00 C ATOM 392 OG1 THR A 127 10.118 5.869 -2.438 1.00 0.00 O ATOM 393 CG2 THR A 127 12.390 6.331 -1.874 1.00 0.00 C ATOM 0 H THR A 127 8.569 7.004 -1.083 1.00 0.00 H new ATOM 0 HA THR A 127 10.843 6.050 0.253 1.00 0.00 H new ATOM 0 HB THR A 127 10.871 7.802 -2.212 1.00 0.00 H new ATOM 0 HG1 THR A 127 9.420 6.346 -2.934 1.00 0.00 H new ATOM 0 HG21 THR A 127 12.668 6.257 -2.925 1.00 0.00 H new ATOM 0 HG22 THR A 127 13.050 7.039 -1.373 1.00 0.00 H new ATOM 0 HG23 THR A 127 12.484 5.352 -1.404 1.00 0.00 H new ATOM 401 N GLU A 128 10.473 9.305 0.305 1.00 0.00 N ATOM 402 CA GLU A 128 10.992 10.515 0.930 1.00 0.00 C ATOM 403 C GLU A 128 10.388 10.757 2.318 1.00 0.00 C ATOM 404 O GLU A 128 11.119 10.902 3.298 1.00 0.00 O ATOM 405 CB GLU A 128 10.750 11.725 0.029 1.00 0.00 C ATOM 406 CG GLU A 128 11.308 11.546 -1.373 1.00 0.00 C ATOM 407 CD GLU A 128 11.389 12.843 -2.143 1.00 0.00 C ATOM 408 OE1 GLU A 128 10.500 13.705 -1.972 1.00 0.00 O ATOM 409 OE2 GLU A 128 12.347 13.008 -2.927 1.00 0.00 O1- ATOM 0 H GLU A 128 9.574 9.417 -0.164 1.00 0.00 H new ATOM 0 HA GLU A 128 12.065 10.374 1.064 1.00 0.00 H new ATOM 0 HB2 GLU A 128 9.678 11.915 -0.034 1.00 0.00 H new ATOM 0 HB3 GLU A 128 11.203 12.606 0.484 1.00 0.00 H new ATOM 0 HG2 GLU A 128 12.302 11.104 -1.309 1.00 0.00 H new ATOM 0 HG3 GLU A 128 10.681 10.842 -1.921 1.00 0.00 H new ATOM 416 N LYS A 129 9.060 10.776 2.408 1.00 0.00 N ATOM 417 CA LYS A 129 8.387 11.201 3.640 1.00 0.00 C ATOM 418 C LYS A 129 8.062 10.036 4.569 1.00 0.00 C ATOM 419 O LYS A 129 7.863 10.231 5.771 1.00 0.00 O ATOM 420 CB LYS A 129 7.107 11.968 3.310 1.00 0.00 C ATOM 421 CG LYS A 129 7.363 13.270 2.572 1.00 0.00 C ATOM 422 CD LYS A 129 6.081 14.053 2.359 1.00 0.00 C ATOM 423 CE LYS A 129 6.364 15.399 1.717 1.00 0.00 C ATOM 424 NZ LYS A 129 5.127 16.202 1.520 1.00 0.00 N1+ ATOM 0 H LYS A 129 8.431 10.505 1.652 1.00 0.00 H new ATOM 0 HA LYS A 129 9.085 11.852 4.167 1.00 0.00 H new ATOM 0 HB2 LYS A 129 6.458 11.336 2.704 1.00 0.00 H new ATOM 0 HB3 LYS A 129 6.570 12.181 4.234 1.00 0.00 H new ATOM 0 HG2 LYS A 129 8.071 13.876 3.138 1.00 0.00 H new ATOM 0 HG3 LYS A 129 7.825 13.058 1.608 1.00 0.00 H new ATOM 0 HD2 LYS A 129 5.402 13.481 1.727 1.00 0.00 H new ATOM 0 HD3 LYS A 129 5.578 14.201 3.315 1.00 0.00 H new ATOM 0 HE2 LYS A 129 7.061 15.957 2.341 1.00 0.00 H new ATOM 0 HE3 LYS A 129 6.851 15.245 0.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 5.378 17.205 1.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 4.630 15.871 0.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 4.506 16.092 2.347 1.00 0.00 H new ATOM 438 N GLY A 130 8.001 8.834 4.026 1.00 0.00 N ATOM 439 CA GLY A 130 7.698 7.675 4.844 1.00 0.00 C ATOM 440 C GLY A 130 8.948 7.054 5.430 1.00 0.00 C ATOM 441 O GLY A 130 9.989 7.702 5.503 1.00 0.00 O ATOM 0 H GLY A 130 8.155 8.636 3.037 1.00 0.00 H new ATOM 0 HA2 GLY A 130 7.025 7.966 5.651 1.00 0.00 H new ATOM 0 HA3 GLY A 130 7.172 6.934 4.242 1.00 0.00 H new ATOM 445 N LYS A 131 8.841 5.807 5.859 1.00 0.00 N ATOM 446 CA LYS A 131 9.987 5.047 6.337 1.00 0.00 C ATOM 447 C LYS A 131 9.728 3.560 6.145 1.00 0.00 C ATOM 448 O LYS A 131 8.652 3.182 5.681 1.00 0.00 O ATOM 449 CB LYS A 131 10.299 5.359 7.805 1.00 0.00 C ATOM 450 CG LYS A 131 9.128 5.155 8.752 1.00 0.00 C ATOM 451 CD LYS A 131 9.542 5.401 10.193 1.00 0.00 C ATOM 452 CE LYS A 131 8.359 5.302 11.142 1.00 0.00 C ATOM 453 NZ LYS A 131 7.370 6.388 10.916 1.00 0.00 N1+ ATOM 0 H LYS A 131 7.960 5.293 5.886 1.00 0.00 H new ATOM 0 HA LYS A 131 10.861 5.339 5.754 1.00 0.00 H new ATOM 0 HB2 LYS A 131 11.127 4.729 8.130 1.00 0.00 H new ATOM 0 HB3 LYS A 131 10.636 6.393 7.881 1.00 0.00 H new ATOM 0 HG2 LYS A 131 8.316 5.831 8.483 1.00 0.00 H new ATOM 0 HG3 LYS A 131 8.745 4.140 8.648 1.00 0.00 H new ATOM 0 HD2 LYS A 131 10.302 4.675 10.482 1.00 0.00 H new ATOM 0 HD3 LYS A 131 9.995 6.389 10.278 1.00 0.00 H new ATOM 0 HE2 LYS A 131 7.872 4.336 11.014 1.00 0.00 H new ATOM 0 HE3 LYS A 131 8.716 5.345 12.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 6.711 6.430 11.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 7.867 7.297 10.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 6.839 6.198 10.042 1.00 0.00 H new ATOM 467 N HIS A 132 10.715 2.728 6.449 1.00 0.00 N ATOM 468 CA HIS A 132 10.568 1.280 6.317 1.00 0.00 C ATOM 469 C HIS A 132 9.301 0.794 7.022 1.00 0.00 C ATOM 470 O HIS A 132 9.154 0.946 8.236 1.00 0.00 O ATOM 471 CB HIS A 132 11.797 0.564 6.894 1.00 0.00 C ATOM 472 CG HIS A 132 11.750 -0.931 6.778 1.00 0.00 C ATOM 473 ND1 HIS A 132 12.299 -1.619 5.721 1.00 0.00 N ATOM 474 CD2 HIS A 132 11.225 -1.870 7.600 1.00 0.00 C ATOM 475 CE1 HIS A 132 12.112 -2.914 5.895 1.00 0.00 C ATOM 476 NE2 HIS A 132 11.464 -3.095 7.027 1.00 0.00 N ATOM 0 H HIS A 132 11.628 3.029 6.789 1.00 0.00 H new ATOM 0 HA HIS A 132 10.485 1.044 5.256 1.00 0.00 H new ATOM 0 HB2 HIS A 132 12.689 0.929 6.384 1.00 0.00 H new ATOM 0 HB3 HIS A 132 11.899 0.832 7.945 1.00 0.00 H new ATOM 0 HD1 HIS A 132 12.777 -1.194 4.926 1.00 0.00 H new ATOM 0 HD2 HIS A 132 10.713 -1.689 8.534 1.00 0.00 H new ATOM 0 HE1 HIS A 132 12.436 -3.694 5.222 1.00 0.00 H new ATOM 485 N GLY A 133 8.384 0.227 6.252 1.00 0.00 N ATOM 486 CA GLY A 133 7.167 -0.307 6.826 1.00 0.00 C ATOM 487 C GLY A 133 5.982 0.626 6.675 1.00 0.00 C ATOM 488 O GLY A 133 4.868 0.287 7.067 1.00 0.00 O ATOM 0 H GLY A 133 8.461 0.127 5.240 1.00 0.00 H new ATOM 0 HA2 GLY A 133 6.935 -1.260 6.350 1.00 0.00 H new ATOM 0 HA3 GLY A 133 7.330 -0.510 7.884 1.00 0.00 H new ATOM 492 N SER A 134 6.214 1.808 6.126 1.00 0.00 N ATOM 493 CA SER A 134 5.132 2.756 5.908 1.00 0.00 C ATOM 494 C SER A 134 4.287 2.341 4.708 1.00 0.00 C ATOM 495 O SER A 134 4.817 1.888 3.691 1.00 0.00 O ATOM 496 CB SER A 134 5.683 4.168 5.709 1.00 0.00 C ATOM 497 OG SER A 134 6.378 4.610 6.864 1.00 0.00 O ATOM 0 H SER A 134 7.133 2.132 5.825 1.00 0.00 H new ATOM 0 HA SER A 134 4.497 2.756 6.794 1.00 0.00 H new ATOM 0 HB2 SER A 134 6.353 4.183 4.849 1.00 0.00 H new ATOM 0 HB3 SER A 134 4.865 4.854 5.488 1.00 0.00 H new ATOM 0 HG SER A 134 6.306 5.585 6.936 1.00 0.00 H new ATOM 503 N PHE A 135 2.976 2.494 4.839 1.00 0.00 N ATOM 504 CA PHE A 135 2.049 2.118 3.788 1.00 0.00 C ATOM 505 C PHE A 135 0.964 3.176 3.620 1.00 0.00 C ATOM 506 O PHE A 135 0.624 3.891 4.566 1.00 0.00 O ATOM 507 CB PHE A 135 1.412 0.754 4.098 1.00 0.00 C ATOM 508 CG PHE A 135 0.537 0.731 5.324 1.00 0.00 C ATOM 509 CD1 PHE A 135 1.074 0.447 6.568 1.00 0.00 C ATOM 510 CD2 PHE A 135 -0.824 0.977 5.228 1.00 0.00 C ATOM 511 CE1 PHE A 135 0.273 0.412 7.693 1.00 0.00 C ATOM 512 CE2 PHE A 135 -1.629 0.946 6.349 1.00 0.00 C ATOM 513 CZ PHE A 135 -1.079 0.662 7.582 1.00 0.00 C ATOM 0 H PHE A 135 2.531 2.880 5.672 1.00 0.00 H new ATOM 0 HA PHE A 135 2.606 2.043 2.854 1.00 0.00 H new ATOM 0 HB2 PHE A 135 0.818 0.442 3.239 1.00 0.00 H new ATOM 0 HB3 PHE A 135 2.206 0.017 4.221 1.00 0.00 H new ATOM 0 HD1 PHE A 135 2.132 0.250 6.660 1.00 0.00 H new ATOM 0 HD2 PHE A 135 -1.260 1.196 4.264 1.00 0.00 H new ATOM 0 HE1 PHE A 135 0.705 0.189 8.658 1.00 0.00 H new ATOM 0 HE2 PHE A 135 -2.687 1.144 6.261 1.00 0.00 H new ATOM 0 HZ PHE A 135 -1.707 0.635 8.460 1.00 0.00 H new ATOM 523 N LEU A 136 0.448 3.280 2.408 1.00 0.00 N ATOM 524 CA LEU A 136 -0.658 4.171 2.108 1.00 0.00 C ATOM 525 C LEU A 136 -1.451 3.599 0.939 1.00 0.00 C ATOM 526 O LEU A 136 -0.870 3.082 -0.019 1.00 0.00 O ATOM 527 CB LEU A 136 -0.147 5.593 1.779 1.00 0.00 C ATOM 528 CG LEU A 136 0.470 5.800 0.384 1.00 0.00 C ATOM 529 CD1 LEU A 136 0.987 7.212 0.221 1.00 0.00 C ATOM 530 CD2 LEU A 136 1.611 4.852 0.143 1.00 0.00 C ATOM 0 H LEU A 136 0.784 2.749 1.604 1.00 0.00 H new ATOM 0 HA LEU A 136 -1.305 4.250 2.982 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -0.980 6.288 1.889 1.00 0.00 H new ATOM 0 HB3 LEU A 136 0.599 5.868 2.525 1.00 0.00 H new ATOM 0 HG LEU A 136 -0.323 5.609 -0.339 1.00 0.00 H new ATOM 0 HD11 LEU A 136 1.417 7.329 -0.774 1.00 0.00 H new ATOM 0 HD12 LEU A 136 0.165 7.917 0.346 1.00 0.00 H new ATOM 0 HD13 LEU A 136 1.752 7.409 0.973 1.00 0.00 H new ATOM 0 HD21 LEU A 136 2.024 5.025 -0.851 1.00 0.00 H new ATOM 0 HD22 LEU A 136 2.386 5.017 0.892 1.00 0.00 H new ATOM 0 HD23 LEU A 136 1.252 3.825 0.213 1.00 0.00 H new ATOM 542 N VAL A 137 -2.765 3.653 1.013 1.00 0.00 N ATOM 543 CA VAL A 137 -3.573 3.188 -0.095 1.00 0.00 C ATOM 544 C VAL A 137 -3.989 4.375 -0.946 1.00 0.00 C ATOM 545 O VAL A 137 -4.324 5.441 -0.433 1.00 0.00 O ATOM 546 CB VAL A 137 -4.815 2.375 0.342 1.00 0.00 C ATOM 547 CG1 VAL A 137 -4.428 1.224 1.260 1.00 0.00 C ATOM 548 CG2 VAL A 137 -5.859 3.259 0.984 1.00 0.00 C ATOM 0 H VAL A 137 -3.289 4.007 1.813 1.00 0.00 H new ATOM 0 HA VAL A 137 -2.956 2.501 -0.675 1.00 0.00 H new ATOM 0 HB VAL A 137 -5.257 1.947 -0.558 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -5.323 0.673 1.549 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -3.743 0.556 0.737 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -3.941 1.618 2.152 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -6.717 2.654 1.278 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -5.436 3.741 1.865 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -6.179 4.020 0.272 1.00 0.00 H new ATOM 558 N ARG A 138 -3.927 4.195 -2.242 1.00 0.00 N ATOM 559 CA ARG A 138 -4.185 5.270 -3.180 1.00 0.00 C ATOM 560 C ARG A 138 -5.032 4.764 -4.330 1.00 0.00 C ATOM 561 O ARG A 138 -5.121 3.560 -4.547 1.00 0.00 O ATOM 562 CB ARG A 138 -2.860 5.814 -3.714 1.00 0.00 C ATOM 563 CG ARG A 138 -1.903 4.718 -4.132 1.00 0.00 C ATOM 564 CD ARG A 138 -0.953 5.184 -5.213 1.00 0.00 C ATOM 565 NE ARG A 138 -1.651 5.387 -6.481 1.00 0.00 N ATOM 566 CZ ARG A 138 -1.289 4.863 -7.656 1.00 0.00 C ATOM 567 NH1 ARG A 138 -0.243 4.052 -7.748 1.00 0.00 N1+ ATOM 568 NH2 ARG A 138 -1.995 5.140 -8.738 1.00 0.00 N ATOM 0 H ARG A 138 -3.697 3.303 -2.680 1.00 0.00 H new ATOM 0 HA ARG A 138 -4.724 6.068 -2.669 1.00 0.00 H new ATOM 0 HB2 ARG A 138 -3.056 6.464 -4.567 1.00 0.00 H new ATOM 0 HB3 ARG A 138 -2.389 6.429 -2.947 1.00 0.00 H new ATOM 0 HG2 ARG A 138 -1.332 4.384 -3.266 1.00 0.00 H new ATOM 0 HG3 ARG A 138 -2.469 3.859 -4.491 1.00 0.00 H new ATOM 0 HD2 ARG A 138 -0.476 6.114 -4.905 1.00 0.00 H new ATOM 0 HD3 ARG A 138 -0.160 4.448 -5.346 1.00 0.00 H new ATOM 0 HE ARG A 138 -2.483 5.977 -6.468 1.00 0.00 H new ATOM 0 HH11 ARG A 138 0.298 3.820 -6.915 1.00 0.00 H new ATOM 0 HH12 ARG A 138 0.021 3.660 -8.652 1.00 0.00 H new ATOM 0 HH21 ARG A 138 -2.810 5.750 -8.673 1.00 0.00 H new ATOM 0 HH22 ARG A 138 -1.725 4.744 -9.638 1.00 0.00 H new ATOM 582 N GLU A 139 -5.648 5.676 -5.061 1.00 0.00 N ATOM 583 CA GLU A 139 -6.450 5.297 -6.211 1.00 0.00 C ATOM 584 C GLU A 139 -5.547 4.945 -7.390 1.00 0.00 C ATOM 585 O GLU A 139 -4.583 5.660 -7.682 1.00 0.00 O ATOM 586 CB GLU A 139 -7.417 6.419 -6.590 1.00 0.00 C ATOM 587 CG GLU A 139 -8.450 6.713 -5.515 1.00 0.00 C ATOM 588 CD GLU A 139 -9.483 7.728 -5.955 1.00 0.00 C ATOM 589 OE1 GLU A 139 -9.331 8.925 -5.632 1.00 0.00 O ATOM 590 OE2 GLU A 139 -10.467 7.331 -6.620 1.00 0.00 O1- ATOM 0 H GLU A 139 -5.609 6.679 -4.880 1.00 0.00 H new ATOM 0 HA GLU A 139 -7.038 4.418 -5.948 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -6.848 7.326 -6.794 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -7.930 6.150 -7.513 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -8.953 5.786 -5.238 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -7.944 7.080 -4.622 1.00 0.00 H new ATOM 597 N SER A 140 -5.858 3.837 -8.050 1.00 0.00 N ATOM 598 CA SER A 140 -5.040 3.326 -9.141 1.00 0.00 C ATOM 599 C SER A 140 -5.338 4.060 -10.443 1.00 0.00 C ATOM 600 O SER A 140 -6.484 4.430 -10.716 1.00 0.00 O ATOM 601 CB SER A 140 -5.301 1.828 -9.327 1.00 0.00 C ATOM 602 OG SER A 140 -4.462 1.265 -10.327 1.00 0.00 O ATOM 0 H SER A 140 -6.681 3.270 -7.845 1.00 0.00 H new ATOM 0 HA SER A 140 -3.993 3.490 -8.885 1.00 0.00 H new ATOM 0 HB2 SER A 140 -5.137 1.311 -8.382 1.00 0.00 H new ATOM 0 HB3 SER A 140 -6.345 1.672 -9.599 1.00 0.00 H new ATOM 0 HG SER A 140 -3.579 1.078 -9.946 1.00 0.00 H new ATOM 608 N GLN A 141 -4.300 4.273 -11.238 1.00 0.00 N ATOM 609 CA GLN A 141 -4.461 4.847 -12.560 1.00 0.00 C ATOM 610 C GLN A 141 -4.395 3.749 -13.614 1.00 0.00 C ATOM 611 O GLN A 141 -4.893 3.918 -14.727 1.00 0.00 O ATOM 612 CB GLN A 141 -3.414 5.926 -12.823 1.00 0.00 C ATOM 613 CG GLN A 141 -3.654 7.198 -12.024 1.00 0.00 C ATOM 614 CD GLN A 141 -2.717 8.321 -12.415 1.00 0.00 C ATOM 615 OE1 GLN A 141 -2.258 8.395 -13.554 1.00 0.00 O ATOM 616 NE2 GLN A 141 -2.443 9.214 -11.480 1.00 0.00 N ATOM 0 H GLN A 141 -3.336 4.055 -10.987 1.00 0.00 H new ATOM 0 HA GLN A 141 -5.440 5.324 -12.615 1.00 0.00 H new ATOM 0 HB2 GLN A 141 -2.427 5.533 -12.581 1.00 0.00 H new ATOM 0 HB3 GLN A 141 -3.409 6.167 -13.886 1.00 0.00 H new ATOM 0 HG2 GLN A 141 -4.684 7.523 -12.168 1.00 0.00 H new ATOM 0 HG3 GLN A 141 -3.533 6.983 -10.962 1.00 0.00 H new ATOM 0 HE21 GLN A 141 -2.845 9.116 -10.548 1.00 0.00 H new ATOM 0 HE22 GLN A 141 -1.830 10.002 -11.691 1.00 0.00 H new ATOM 625 N SER A 142 -3.765 2.630 -13.262 1.00 0.00 N ATOM 626 CA SER A 142 -3.816 1.433 -14.093 1.00 0.00 C ATOM 627 C SER A 142 -5.216 0.847 -14.046 1.00 0.00 C ATOM 628 O SER A 142 -5.754 0.389 -15.053 1.00 0.00 O ATOM 629 CB SER A 142 -2.807 0.389 -13.611 1.00 0.00 C ATOM 630 OG SER A 142 -1.476 0.832 -13.791 1.00 0.00 O ATOM 0 H SER A 142 -3.215 2.529 -12.409 1.00 0.00 H new ATOM 0 HA SER A 142 -3.562 1.709 -15.116 1.00 0.00 H new ATOM 0 HB2 SER A 142 -2.980 0.174 -12.557 1.00 0.00 H new ATOM 0 HB3 SER A 142 -2.958 -0.543 -14.156 1.00 0.00 H new ATOM 0 HG SER A 142 -0.856 0.143 -13.472 1.00 0.00 H new ATOM 636 N HIS A 143 -5.796 0.867 -12.857 1.00 0.00 N ATOM 637 CA HIS A 143 -7.163 0.424 -12.656 1.00 0.00 C ATOM 638 C HIS A 143 -7.994 1.551 -12.059 1.00 0.00 C ATOM 639 O HIS A 143 -8.177 1.620 -10.844 1.00 0.00 O ATOM 640 CB HIS A 143 -7.205 -0.805 -11.741 1.00 0.00 C ATOM 641 CG HIS A 143 -6.908 -2.091 -12.445 1.00 0.00 C ATOM 642 ND1 HIS A 143 -7.873 -3.035 -12.724 1.00 0.00 N ATOM 643 CD2 HIS A 143 -5.746 -2.592 -12.924 1.00 0.00 C ATOM 644 CE1 HIS A 143 -7.318 -4.058 -13.343 1.00 0.00 C ATOM 645 NE2 HIS A 143 -6.030 -3.814 -13.476 1.00 0.00 N ATOM 0 H HIS A 143 -5.333 1.190 -12.007 1.00 0.00 H new ATOM 0 HA HIS A 143 -7.582 0.147 -13.623 1.00 0.00 H new ATOM 0 HB2 HIS A 143 -6.486 -0.670 -10.933 1.00 0.00 H new ATOM 0 HB3 HIS A 143 -8.192 -0.872 -11.283 1.00 0.00 H new ATOM 0 HD2 HIS A 143 -4.777 -2.118 -12.880 1.00 0.00 H new ATOM 0 HE1 HIS A 143 -7.832 -4.945 -13.683 1.00 0.00 H new ATOM 0 HE2 HIS A 143 -5.353 -4.435 -13.919 1.00 0.00 H new ATOM 654 N PRO A 144 -8.496 2.463 -12.911 1.00 0.00 N ATOM 655 CA PRO A 144 -9.304 3.598 -12.462 1.00 0.00 C ATOM 656 C PRO A 144 -10.507 3.141 -11.648 1.00 0.00 C ATOM 657 O PRO A 144 -11.315 2.331 -12.111 1.00 0.00 O ATOM 658 CB PRO A 144 -9.759 4.264 -13.765 1.00 0.00 C ATOM 659 CG PRO A 144 -8.761 3.832 -14.783 1.00 0.00 C ATOM 660 CD PRO A 144 -8.323 2.455 -14.374 1.00 0.00 C ATOM 0 HA PRO A 144 -8.744 4.269 -11.810 1.00 0.00 H new ATOM 0 HB2 PRO A 144 -10.766 3.949 -14.040 1.00 0.00 H new ATOM 0 HB3 PRO A 144 -9.780 5.349 -13.668 1.00 0.00 H new ATOM 0 HG2 PRO A 144 -9.200 3.822 -15.780 1.00 0.00 H new ATOM 0 HG3 PRO A 144 -7.914 4.518 -14.815 1.00 0.00 H new ATOM 0 HD2 PRO A 144 -8.931 1.683 -14.846 1.00 0.00 H new ATOM 0 HD3 PRO A 144 -7.288 2.262 -14.655 1.00 0.00 H new ATOM 668 N GLY A 145 -10.609 3.650 -10.432 1.00 0.00 N ATOM 669 CA GLY A 145 -11.679 3.248 -9.549 1.00 0.00 C ATOM 670 C GLY A 145 -11.186 2.346 -8.439 1.00 0.00 C ATOM 671 O GLY A 145 -11.707 2.376 -7.324 1.00 0.00 O ATOM 0 H GLY A 145 -9.966 4.338 -10.040 1.00 0.00 H new ATOM 0 HA2 GLY A 145 -12.145 4.134 -9.117 1.00 0.00 H new ATOM 0 HA3 GLY A 145 -12.448 2.731 -10.123 1.00 0.00 H new ATOM 675 N ASP A 146 -10.169 1.552 -8.740 1.00 0.00 N ATOM 676 CA ASP A 146 -9.605 0.626 -7.769 1.00 0.00 C ATOM 677 C ASP A 146 -8.516 1.307 -6.957 1.00 0.00 C ATOM 678 O ASP A 146 -8.091 2.418 -7.276 1.00 0.00 O ATOM 679 CB ASP A 146 -9.041 -0.612 -8.467 1.00 0.00 C ATOM 680 CG ASP A 146 -10.123 -1.472 -9.087 1.00 0.00 C ATOM 681 OD1 ASP A 146 -10.447 -1.265 -10.276 1.00 0.00 O ATOM 682 OD2 ASP A 146 -10.653 -2.366 -8.390 1.00 0.00 O1- ATOM 0 H ASP A 146 -9.716 1.531 -9.653 1.00 0.00 H new ATOM 0 HA ASP A 146 -10.403 0.312 -7.096 1.00 0.00 H new ATOM 0 HB2 ASP A 146 -8.340 -0.301 -9.242 1.00 0.00 H new ATOM 0 HB3 ASP A 146 -8.477 -1.206 -7.747 1.00 0.00 H new ATOM 687 N PHE A 147 -8.063 0.637 -5.911 1.00 0.00 N ATOM 688 CA PHE A 147 -7.088 1.215 -5.003 1.00 0.00 C ATOM 689 C PHE A 147 -5.844 0.344 -4.947 1.00 0.00 C ATOM 690 O PHE A 147 -5.907 -0.852 -5.211 1.00 0.00 O ATOM 691 CB PHE A 147 -7.690 1.360 -3.601 1.00 0.00 C ATOM 692 CG PHE A 147 -8.978 2.136 -3.578 1.00 0.00 C ATOM 693 CD1 PHE A 147 -10.197 1.479 -3.623 1.00 0.00 C ATOM 694 CD2 PHE A 147 -8.969 3.518 -3.521 1.00 0.00 C ATOM 695 CE1 PHE A 147 -11.383 2.188 -3.608 1.00 0.00 C ATOM 696 CE2 PHE A 147 -10.153 4.232 -3.504 1.00 0.00 C ATOM 697 CZ PHE A 147 -11.360 3.566 -3.549 1.00 0.00 C ATOM 0 H PHE A 147 -8.356 -0.310 -5.670 1.00 0.00 H new ATOM 0 HA PHE A 147 -6.811 2.203 -5.371 1.00 0.00 H new ATOM 0 HB2 PHE A 147 -7.865 0.368 -3.185 1.00 0.00 H new ATOM 0 HB3 PHE A 147 -6.966 1.854 -2.953 1.00 0.00 H new ATOM 0 HD1 PHE A 147 -10.221 0.400 -3.670 1.00 0.00 H new ATOM 0 HD2 PHE A 147 -8.027 4.045 -3.489 1.00 0.00 H new ATOM 0 HE1 PHE A 147 -12.327 1.664 -3.642 1.00 0.00 H new ATOM 0 HE2 PHE A 147 -10.133 5.311 -3.456 1.00 0.00 H new ATOM 0 HZ PHE A 147 -12.286 4.122 -3.538 1.00 0.00 H new ATOM 707 N VAL A 148 -4.713 0.948 -4.625 1.00 0.00 N ATOM 708 CA VAL A 148 -3.473 0.207 -4.475 1.00 0.00 C ATOM 709 C VAL A 148 -2.804 0.548 -3.149 1.00 0.00 C ATOM 710 O VAL A 148 -2.779 1.704 -2.727 1.00 0.00 O ATOM 711 CB VAL A 148 -2.483 0.465 -5.639 1.00 0.00 C ATOM 712 CG1 VAL A 148 -3.097 0.080 -6.966 1.00 0.00 C ATOM 713 CG2 VAL A 148 -2.041 1.906 -5.684 1.00 0.00 C ATOM 0 H VAL A 148 -4.628 1.951 -4.462 1.00 0.00 H new ATOM 0 HA VAL A 148 -3.736 -0.851 -4.494 1.00 0.00 H new ATOM 0 HB VAL A 148 -1.607 -0.158 -5.457 1.00 0.00 H new ATOM 0 HG11 VAL A 148 -2.382 0.271 -7.767 1.00 0.00 H new ATOM 0 HG12 VAL A 148 -3.355 -0.979 -6.954 1.00 0.00 H new ATOM 0 HG13 VAL A 148 -3.997 0.671 -7.135 1.00 0.00 H new ATOM 0 HG21 VAL A 148 -1.348 2.048 -6.513 1.00 0.00 H new ATOM 0 HG22 VAL A 148 -2.910 2.549 -5.823 1.00 0.00 H new ATOM 0 HG23 VAL A 148 -1.545 2.164 -4.748 1.00 0.00 H new ATOM 723 N LEU A 149 -2.275 -0.470 -2.500 1.00 0.00 N ATOM 724 CA LEU A 149 -1.565 -0.305 -1.247 1.00 0.00 C ATOM 725 C LEU A 149 -0.087 -0.123 -1.533 1.00 0.00 C ATOM 726 O LEU A 149 0.584 -1.053 -1.949 1.00 0.00 O ATOM 727 CB LEU A 149 -1.765 -1.547 -0.375 1.00 0.00 C ATOM 728 CG LEU A 149 -1.088 -1.504 0.990 1.00 0.00 C ATOM 729 CD1 LEU A 149 -2.123 -1.467 2.097 1.00 0.00 C ATOM 730 CD2 LEU A 149 -0.176 -2.702 1.168 1.00 0.00 C ATOM 0 H LEU A 149 -2.325 -1.435 -2.826 1.00 0.00 H new ATOM 0 HA LEU A 149 -1.950 0.569 -0.722 1.00 0.00 H new ATOM 0 HB2 LEU A 149 -2.834 -1.697 -0.227 1.00 0.00 H new ATOM 0 HB3 LEU A 149 -1.393 -2.415 -0.919 1.00 0.00 H new ATOM 0 HG LEU A 149 -0.487 -0.596 1.045 1.00 0.00 H new ATOM 0 HD11 LEU A 149 -1.621 -1.437 3.064 1.00 0.00 H new ATOM 0 HD12 LEU A 149 -2.746 -0.580 1.983 1.00 0.00 H new ATOM 0 HD13 LEU A 149 -2.748 -2.358 2.041 1.00 0.00 H new ATOM 0 HD21 LEU A 149 0.299 -2.655 2.148 1.00 0.00 H new ATOM 0 HD22 LEU A 149 -0.761 -3.619 1.092 1.00 0.00 H new ATOM 0 HD23 LEU A 149 0.590 -2.694 0.393 1.00 0.00 H new ATOM 742 N SER A 150 0.431 1.059 -1.316 1.00 0.00 N ATOM 743 CA SER A 150 1.831 1.294 -1.583 1.00 0.00 C ATOM 744 C SER A 150 2.606 1.266 -0.276 1.00 0.00 C ATOM 745 O SER A 150 2.192 1.871 0.711 1.00 0.00 O ATOM 746 CB SER A 150 2.012 2.613 -2.329 1.00 0.00 C ATOM 747 OG SER A 150 1.023 2.753 -3.342 1.00 0.00 O ATOM 0 H SER A 150 -0.084 1.864 -0.961 1.00 0.00 H new ATOM 0 HA SER A 150 2.224 0.506 -2.225 1.00 0.00 H new ATOM 0 HB2 SER A 150 1.944 3.446 -1.629 1.00 0.00 H new ATOM 0 HB3 SER A 150 3.006 2.652 -2.775 1.00 0.00 H new ATOM 0 HG SER A 150 1.456 2.973 -4.193 1.00 0.00 H new ATOM 753 N VAL A 151 3.703 0.531 -0.265 1.00 0.00 N ATOM 754 CA VAL A 151 4.470 0.317 0.949 1.00 0.00 C ATOM 755 C VAL A 151 5.955 0.548 0.703 1.00 0.00 C ATOM 756 O VAL A 151 6.450 0.330 -0.401 1.00 0.00 O ATOM 757 CB VAL A 151 4.269 -1.117 1.475 1.00 0.00 C ATOM 758 CG1 VAL A 151 2.812 -1.386 1.774 1.00 0.00 C ATOM 759 CG2 VAL A 151 4.791 -2.129 0.485 1.00 0.00 C ATOM 0 H VAL A 151 4.085 0.069 -1.090 1.00 0.00 H new ATOM 0 HA VAL A 151 4.112 1.031 1.691 1.00 0.00 H new ATOM 0 HB VAL A 151 4.834 -1.212 2.402 1.00 0.00 H new ATOM 0 HG11 VAL A 151 2.699 -2.405 2.144 1.00 0.00 H new ATOM 0 HG12 VAL A 151 2.460 -0.684 2.530 1.00 0.00 H new ATOM 0 HG13 VAL A 151 2.225 -1.263 0.864 1.00 0.00 H new ATOM 0 HG21 VAL A 151 4.638 -3.134 0.878 1.00 0.00 H new ATOM 0 HG22 VAL A 151 4.257 -2.023 -0.459 1.00 0.00 H new ATOM 0 HG23 VAL A 151 5.855 -1.961 0.320 1.00 0.00 H new ATOM 769 N ARG A 152 6.657 0.997 1.727 1.00 0.00 N ATOM 770 CA ARG A 152 8.094 1.187 1.630 1.00 0.00 C ATOM 771 C ARG A 152 8.817 -0.035 2.182 1.00 0.00 C ATOM 772 O ARG A 152 8.902 -0.229 3.400 1.00 0.00 O ATOM 773 CB ARG A 152 8.510 2.453 2.381 1.00 0.00 C ATOM 774 CG ARG A 152 9.989 2.783 2.267 1.00 0.00 C ATOM 775 CD ARG A 152 10.289 4.157 2.841 1.00 0.00 C ATOM 776 NE ARG A 152 11.721 4.428 2.919 1.00 0.00 N ATOM 777 CZ ARG A 152 12.242 5.610 3.243 1.00 0.00 C ATOM 778 NH1 ARG A 152 11.461 6.660 3.423 1.00 0.00 N1+ ATOM 779 NH2 ARG A 152 13.552 5.745 3.354 1.00 0.00 N ATOM 0 H ARG A 152 6.257 1.237 2.634 1.00 0.00 H new ATOM 0 HA ARG A 152 8.370 1.307 0.582 1.00 0.00 H new ATOM 0 HB2 ARG A 152 7.930 3.295 2.002 1.00 0.00 H new ATOM 0 HB3 ARG A 152 8.254 2.339 3.434 1.00 0.00 H new ATOM 0 HG2 ARG A 152 10.574 2.030 2.794 1.00 0.00 H new ATOM 0 HG3 ARG A 152 10.293 2.748 1.221 1.00 0.00 H new ATOM 0 HD2 ARG A 152 9.811 4.918 2.223 1.00 0.00 H new ATOM 0 HD3 ARG A 152 9.853 4.235 3.837 1.00 0.00 H new ATOM 0 HE ARG A 152 12.364 3.663 2.712 1.00 0.00 H new ATOM 0 HH11 ARG A 152 10.451 6.569 3.314 1.00 0.00 H new ATOM 0 HH12 ARG A 152 11.868 7.562 3.671 1.00 0.00 H new ATOM 0 HH21 ARG A 152 14.163 4.944 3.192 1.00 0.00 H new ATOM 0 HH22 ARG A 152 13.952 6.650 3.602 1.00 0.00 H new ATOM 793 N THR A 153 9.337 -0.847 1.278 1.00 0.00 N ATOM 794 CA THR A 153 10.006 -2.082 1.633 1.00 0.00 C ATOM 795 C THR A 153 11.517 -1.970 1.433 1.00 0.00 C ATOM 796 O THR A 153 11.990 -1.250 0.549 1.00 0.00 O ATOM 797 CB THR A 153 9.438 -3.256 0.808 1.00 0.00 C ATOM 798 OG1 THR A 153 9.067 -2.802 -0.501 1.00 0.00 O ATOM 799 CG2 THR A 153 8.229 -3.861 1.504 1.00 0.00 C ATOM 0 H THR A 153 9.306 -0.666 0.275 1.00 0.00 H new ATOM 0 HA THR A 153 9.822 -2.274 2.690 1.00 0.00 H new ATOM 0 HB THR A 153 10.210 -4.021 0.718 1.00 0.00 H new ATOM 0 HG1 THR A 153 8.709 -3.553 -1.019 1.00 0.00 H new ATOM 0 HG21 THR A 153 7.842 -4.687 0.908 1.00 0.00 H new ATOM 0 HG22 THR A 153 8.522 -4.229 2.487 1.00 0.00 H new ATOM 0 HG23 THR A 153 7.456 -3.101 1.616 1.00 0.00 H new ATOM 807 N GLY A 154 12.271 -2.661 2.278 1.00 0.00 N ATOM 808 CA GLY A 154 13.714 -2.607 2.197 1.00 0.00 C ATOM 809 C GLY A 154 14.291 -1.427 2.952 1.00 0.00 C ATOM 810 O GLY A 154 13.554 -0.660 3.580 1.00 0.00 O ATOM 0 H GLY A 154 11.906 -3.259 3.019 1.00 0.00 H new ATOM 0 HA2 GLY A 154 14.132 -3.531 2.597 1.00 0.00 H new ATOM 0 HA3 GLY A 154 14.015 -2.548 1.151 1.00 0.00 H new ATOM 959 N LYS A 166 12.717 0.689 -1.640 1.00 0.00 N ATOM 960 CA LYS A 166 11.888 0.289 -2.749 1.00 0.00 C ATOM 961 C LYS A 166 10.434 0.339 -2.313 1.00 0.00 C ATOM 962 O LYS A 166 10.067 -0.240 -1.298 1.00 0.00 O ATOM 963 CB LYS A 166 12.254 -1.126 -3.211 1.00 0.00 C ATOM 964 CG LYS A 166 12.230 -1.305 -4.723 1.00 0.00 C ATOM 965 CD LYS A 166 10.904 -0.869 -5.322 1.00 0.00 C ATOM 966 CE LYS A 166 9.775 -1.838 -4.980 1.00 0.00 C ATOM 967 NZ LYS A 166 9.954 -3.170 -5.617 1.00 0.00 N1+ ATOM 0 HA LYS A 166 12.047 0.968 -3.586 1.00 0.00 H new ATOM 0 HB2 LYS A 166 13.249 -1.373 -2.841 1.00 0.00 H new ATOM 0 HB3 LYS A 166 11.561 -1.836 -2.760 1.00 0.00 H new ATOM 0 HG2 LYS A 166 13.038 -0.727 -5.170 1.00 0.00 H new ATOM 0 HG3 LYS A 166 12.413 -2.351 -4.968 1.00 0.00 H new ATOM 0 HD2 LYS A 166 10.651 0.126 -4.956 1.00 0.00 H new ATOM 0 HD3 LYS A 166 11.002 -0.795 -6.405 1.00 0.00 H new ATOM 0 HE2 LYS A 166 9.721 -1.961 -3.898 1.00 0.00 H new ATOM 0 HE3 LYS A 166 8.825 -1.411 -5.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 166 9.070 -3.713 -5.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 166 10.198 -3.045 -6.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 166 10.719 -3.685 -5.136 1.00 0.00 H new ATOM 981 N VAL A 167 9.609 1.048 -3.056 1.00 0.00 N ATOM 982 CA VAL A 167 8.198 1.109 -2.735 1.00 0.00 C ATOM 983 C VAL A 167 7.411 0.161 -3.619 1.00 0.00 C ATOM 984 O VAL A 167 7.308 0.351 -4.833 1.00 0.00 O ATOM 985 CB VAL A 167 7.638 2.534 -2.877 1.00 0.00 C ATOM 986 CG1 VAL A 167 6.126 2.550 -2.733 1.00 0.00 C ATOM 987 CG2 VAL A 167 8.260 3.457 -1.850 1.00 0.00 C ATOM 0 H VAL A 167 9.887 1.585 -3.878 1.00 0.00 H new ATOM 0 HA VAL A 167 8.092 0.808 -1.693 1.00 0.00 H new ATOM 0 HB VAL A 167 7.893 2.888 -3.876 1.00 0.00 H new ATOM 0 HG11 VAL A 167 5.761 3.572 -2.838 1.00 0.00 H new ATOM 0 HG12 VAL A 167 5.680 1.924 -3.506 1.00 0.00 H new ATOM 0 HG13 VAL A 167 5.850 2.166 -1.751 1.00 0.00 H new ATOM 0 HG21 VAL A 167 7.851 4.460 -1.967 1.00 0.00 H new ATOM 0 HG22 VAL A 167 8.038 3.089 -0.848 1.00 0.00 H new ATOM 0 HG23 VAL A 167 9.340 3.487 -1.994 1.00 0.00 H new ATOM 997 N THR A 168 6.869 -0.863 -2.997 1.00 0.00 N ATOM 998 CA THR A 168 6.020 -1.799 -3.672 1.00 0.00 C ATOM 999 C THR A 168 4.575 -1.359 -3.546 1.00 0.00 C ATOM 1000 O THR A 168 4.157 -0.849 -2.513 1.00 0.00 O ATOM 1001 CB THR A 168 6.198 -3.222 -3.113 1.00 0.00 C ATOM 1002 OG1 THR A 168 7.438 -3.772 -3.573 1.00 0.00 O ATOM 1003 CG2 THR A 168 5.037 -4.125 -3.509 1.00 0.00 C ATOM 0 H THR A 168 7.010 -1.064 -2.007 1.00 0.00 H new ATOM 0 HA THR A 168 6.301 -1.821 -4.725 1.00 0.00 H new ATOM 0 HB THR A 168 6.212 -3.162 -2.025 1.00 0.00 H new ATOM 0 HG1 THR A 168 7.259 -4.490 -4.216 1.00 0.00 H new ATOM 0 HG21 THR A 168 5.195 -5.122 -3.098 1.00 0.00 H new ATOM 0 HG22 THR A 168 4.106 -3.714 -3.117 1.00 0.00 H new ATOM 0 HG23 THR A 168 4.978 -4.186 -4.596 1.00 0.00 H new ATOM 1011 N HIS A 169 3.822 -1.518 -4.612 1.00 0.00 N ATOM 1012 CA HIS A 169 2.431 -1.126 -4.608 1.00 0.00 C ATOM 1013 C HIS A 169 1.580 -2.355 -4.856 1.00 0.00 C ATOM 1014 O HIS A 169 1.715 -2.991 -5.882 1.00 0.00 O ATOM 1015 CB HIS A 169 2.163 -0.066 -5.684 1.00 0.00 C ATOM 1016 CG HIS A 169 3.143 1.076 -5.696 1.00 0.00 C ATOM 1017 ND1 HIS A 169 2.793 2.381 -5.427 1.00 0.00 N ATOM 1018 CD2 HIS A 169 4.464 1.102 -5.990 1.00 0.00 C ATOM 1019 CE1 HIS A 169 3.854 3.158 -5.568 1.00 0.00 C ATOM 1020 NE2 HIS A 169 4.880 2.404 -5.908 1.00 0.00 N ATOM 0 H HIS A 169 4.150 -1.916 -5.492 1.00 0.00 H new ATOM 0 HA HIS A 169 2.179 -0.690 -3.641 1.00 0.00 H new ATOM 0 HB2 HIS A 169 2.175 -0.548 -6.661 1.00 0.00 H new ATOM 0 HB3 HIS A 169 1.160 0.335 -5.539 1.00 0.00 H new ATOM 0 HD2 HIS A 169 5.078 0.251 -6.243 1.00 0.00 H new ATOM 0 HE1 HIS A 169 3.876 4.229 -5.428 1.00 0.00 H new ATOM 0 HE2 HIS A 169 5.829 2.736 -6.082 1.00 0.00 H new ATOM 1029 N VAL A 170 0.712 -2.684 -3.925 1.00 0.00 N ATOM 1030 CA VAL A 170 -0.112 -3.877 -4.038 1.00 0.00 C ATOM 1031 C VAL A 170 -1.481 -3.467 -4.567 1.00 0.00 C ATOM 1032 O VAL A 170 -2.005 -2.423 -4.195 1.00 0.00 O ATOM 1033 CB VAL A 170 -0.251 -4.614 -2.669 1.00 0.00 C ATOM 1034 CG1 VAL A 170 0.811 -4.166 -1.676 1.00 0.00 C ATOM 1035 CG2 VAL A 170 -1.643 -4.466 -2.078 1.00 0.00 C ATOM 0 H VAL A 170 0.555 -2.142 -3.075 1.00 0.00 H new ATOM 0 HA VAL A 170 0.364 -4.576 -4.726 1.00 0.00 H new ATOM 0 HB VAL A 170 -0.093 -5.673 -2.871 1.00 0.00 H new ATOM 0 HG11 VAL A 170 0.680 -4.702 -0.736 1.00 0.00 H new ATOM 0 HG12 VAL A 170 1.800 -4.379 -2.080 1.00 0.00 H new ATOM 0 HG13 VAL A 170 0.715 -3.095 -1.499 1.00 0.00 H new ATOM 0 HG21 VAL A 170 -1.692 -4.995 -1.126 1.00 0.00 H new ATOM 0 HG22 VAL A 170 -1.860 -3.410 -1.918 1.00 0.00 H new ATOM 0 HG23 VAL A 170 -2.377 -4.887 -2.765 1.00 0.00 H new ATOM 1045 N MET A 171 -2.039 -4.246 -5.469 1.00 0.00 N ATOM 1046 CA MET A 171 -3.283 -3.865 -6.098 1.00 0.00 C ATOM 1047 C MET A 171 -4.477 -4.401 -5.314 1.00 0.00 C ATOM 1048 O MET A 171 -4.637 -5.610 -5.149 1.00 0.00 O ATOM 1049 CB MET A 171 -3.306 -4.344 -7.548 1.00 0.00 C ATOM 1050 CG MET A 171 -4.429 -3.741 -8.374 1.00 0.00 C ATOM 1051 SD MET A 171 -3.910 -3.362 -10.062 1.00 0.00 S ATOM 1052 CE MET A 171 -2.781 -1.993 -9.779 1.00 0.00 C ATOM 0 H MET A 171 -1.655 -5.138 -5.780 1.00 0.00 H new ATOM 0 HA MET A 171 -3.357 -2.778 -6.098 1.00 0.00 H new ATOM 0 HB2 MET A 171 -2.352 -4.101 -8.016 1.00 0.00 H new ATOM 0 HB3 MET A 171 -3.400 -5.430 -7.561 1.00 0.00 H new ATOM 0 HG2 MET A 171 -5.270 -4.434 -8.402 1.00 0.00 H new ATOM 0 HG3 MET A 171 -4.783 -2.830 -7.892 1.00 0.00 H new ATOM 0 HE1 MET A 171 -1.935 -2.072 -10.462 1.00 0.00 H new ATOM 0 HE2 MET A 171 -3.301 -1.051 -9.953 1.00 0.00 H new ATOM 0 HE3 MET A 171 -2.421 -2.025 -8.751 1.00 0.00 H new ATOM 1062 N ILE A 172 -5.303 -3.484 -4.828 1.00 0.00 N ATOM 1063 CA ILE A 172 -6.468 -3.837 -4.034 1.00 0.00 C ATOM 1064 C ILE A 172 -7.687 -3.956 -4.938 1.00 0.00 C ATOM 1065 O ILE A 172 -7.981 -3.053 -5.723 1.00 0.00 O ATOM 1066 CB ILE A 172 -6.769 -2.776 -2.943 1.00 0.00 C ATOM 1067 CG1 ILE A 172 -5.502 -2.423 -2.156 1.00 0.00 C ATOM 1068 CG2 ILE A 172 -7.856 -3.275 -1.999 1.00 0.00 C ATOM 1069 CD1 ILE A 172 -5.725 -1.378 -1.074 1.00 0.00 C ATOM 0 H ILE A 172 -5.184 -2.481 -4.973 1.00 0.00 H new ATOM 0 HA ILE A 172 -6.252 -4.787 -3.545 1.00 0.00 H new ATOM 0 HB ILE A 172 -7.124 -1.873 -3.440 1.00 0.00 H new ATOM 0 HG12 ILE A 172 -5.106 -3.329 -1.697 1.00 0.00 H new ATOM 0 HG13 ILE A 172 -4.744 -2.059 -2.849 1.00 0.00 H new ATOM 0 HG21 ILE A 172 -8.054 -2.518 -1.240 1.00 0.00 H new ATOM 0 HG22 ILE A 172 -8.767 -3.470 -2.564 1.00 0.00 H new ATOM 0 HG23 ILE A 172 -7.525 -4.195 -1.516 1.00 0.00 H new ATOM 0 HD11 ILE A 172 -4.784 -1.180 -0.560 1.00 0.00 H new ATOM 0 HD12 ILE A 172 -6.092 -0.457 -1.528 1.00 0.00 H new ATOM 0 HD13 ILE A 172 -6.459 -1.747 -0.358 1.00 0.00 H new ATOM 1081 N ARG A 173 -8.383 -5.071 -4.842 1.00 0.00 N ATOM 1082 CA ARG A 173 -9.592 -5.272 -5.615 1.00 0.00 C ATOM 1083 C ARG A 173 -10.790 -4.721 -4.857 1.00 0.00 C ATOM 1084 O ARG A 173 -11.155 -5.224 -3.795 1.00 0.00 O ATOM 1085 CB ARG A 173 -9.791 -6.756 -5.949 1.00 0.00 C ATOM 1086 CG ARG A 173 -9.775 -7.676 -4.740 1.00 0.00 C ATOM 1087 CD ARG A 173 -9.899 -9.138 -5.136 1.00 0.00 C ATOM 1088 NE ARG A 173 -8.820 -9.560 -6.028 1.00 0.00 N ATOM 1089 CZ ARG A 173 -8.073 -10.647 -5.837 1.00 0.00 C ATOM 1090 NH1 ARG A 173 -8.203 -11.368 -4.728 1.00 0.00 N1+ ATOM 1091 NH2 ARG A 173 -7.161 -10.991 -6.737 1.00 0.00 N ATOM 0 H ARG A 173 -8.132 -5.852 -4.236 1.00 0.00 H new ATOM 0 HA ARG A 173 -9.496 -4.732 -6.557 1.00 0.00 H new ATOM 0 HB2 ARG A 173 -10.741 -6.875 -6.469 1.00 0.00 H new ATOM 0 HB3 ARG A 173 -9.008 -7.069 -6.640 1.00 0.00 H new ATOM 0 HG2 ARG A 173 -8.849 -7.528 -4.184 1.00 0.00 H new ATOM 0 HG3 ARG A 173 -10.594 -7.411 -4.072 1.00 0.00 H new ATOM 0 HD2 ARG A 173 -9.891 -9.758 -4.239 1.00 0.00 H new ATOM 0 HD3 ARG A 173 -10.859 -9.300 -5.627 1.00 0.00 H new ATOM 0 HE ARG A 173 -8.627 -8.986 -6.849 1.00 0.00 H new ATOM 0 HH11 ARG A 173 -8.878 -11.091 -4.016 1.00 0.00 H new ATOM 0 HH12 ARG A 173 -7.628 -12.199 -4.589 1.00 0.00 H new ATOM 0 HH21 ARG A 173 -7.032 -10.424 -7.575 1.00 0.00 H new ATOM 0 HH22 ARG A 173 -6.589 -11.823 -6.591 1.00 0.00 H new ATOM 1105 N CYS A 174 -11.374 -3.659 -5.384 1.00 0.00 N ATOM 1106 CA CYS A 174 -12.563 -3.086 -4.789 1.00 0.00 C ATOM 1107 C CYS A 174 -13.788 -3.617 -5.516 1.00 0.00 C ATOM 1108 O CYS A 174 -14.220 -3.062 -6.525 1.00 0.00 O ATOM 1109 CB CYS A 174 -12.516 -1.558 -4.849 1.00 0.00 C ATOM 1110 SG CYS A 174 -13.922 -0.740 -4.060 1.00 0.00 S ATOM 0 H CYS A 174 -11.043 -3.179 -6.221 1.00 0.00 H new ATOM 0 HA CYS A 174 -12.615 -3.373 -3.739 1.00 0.00 H new ATOM 0 HB2 CYS A 174 -11.597 -1.215 -4.373 1.00 0.00 H new ATOM 0 HB3 CYS A 174 -12.469 -1.248 -5.893 1.00 0.00 H new ATOM 0 HG CYS A 174 -13.583 -0.347 -2.868 1.00 0.00 H new ATOM 1116 N GLN A 175 -14.338 -4.697 -4.996 1.00 0.00 N ATOM 1117 CA GLN A 175 -15.456 -5.368 -5.630 1.00 0.00 C ATOM 1118 C GLN A 175 -16.701 -5.256 -4.768 1.00 0.00 C ATOM 1119 O GLN A 175 -16.750 -5.795 -3.660 1.00 0.00 O ATOM 1120 CB GLN A 175 -15.115 -6.837 -5.884 1.00 0.00 C ATOM 1121 CG GLN A 175 -14.052 -7.035 -6.953 1.00 0.00 C ATOM 1122 CD GLN A 175 -13.618 -8.480 -7.089 1.00 0.00 C ATOM 1123 OE1 GLN A 175 -14.386 -9.404 -6.815 1.00 0.00 O ATOM 1124 NE2 GLN A 175 -12.389 -8.687 -7.531 1.00 0.00 N ATOM 0 H GLN A 175 -14.025 -5.132 -4.128 1.00 0.00 H new ATOM 0 HA GLN A 175 -15.655 -4.885 -6.587 1.00 0.00 H new ATOM 0 HB2 GLN A 175 -14.772 -7.289 -4.953 1.00 0.00 H new ATOM 0 HB3 GLN A 175 -16.021 -7.366 -6.180 1.00 0.00 H new ATOM 0 HG2 GLN A 175 -14.437 -6.684 -7.911 1.00 0.00 H new ATOM 0 HG3 GLN A 175 -13.184 -6.421 -6.714 1.00 0.00 H new ATOM 0 HE21 GLN A 175 -11.784 -7.894 -7.747 1.00 0.00 H new ATOM 0 HE22 GLN A 175 -12.046 -9.639 -7.656 1.00 0.00 H new ATOM 1133 N GLU A 176 -17.691 -4.533 -5.282 1.00 0.00 N ATOM 1134 CA GLU A 176 -18.948 -4.301 -4.576 1.00 0.00 C ATOM 1135 C GLU A 176 -18.700 -3.617 -3.237 1.00 0.00 C ATOM 1136 O GLU A 176 -19.318 -3.960 -2.227 1.00 0.00 O ATOM 1137 CB GLU A 176 -19.703 -5.617 -4.371 1.00 0.00 C ATOM 1138 CG GLU A 176 -20.011 -6.346 -5.667 1.00 0.00 C ATOM 1139 CD GLU A 176 -20.801 -7.616 -5.441 1.00 0.00 C ATOM 1140 OE1 GLU A 176 -22.028 -7.605 -5.660 1.00 0.00 O ATOM 1141 OE2 GLU A 176 -20.202 -8.632 -5.039 1.00 0.00 O1- ATOM 0 H GLU A 176 -17.645 -4.091 -6.200 1.00 0.00 H new ATOM 0 HA GLU A 176 -19.562 -3.641 -5.189 1.00 0.00 H new ATOM 0 HB2 GLU A 176 -19.112 -6.269 -3.728 1.00 0.00 H new ATOM 0 HB3 GLU A 176 -20.637 -5.413 -3.847 1.00 0.00 H new ATOM 0 HG2 GLU A 176 -20.572 -5.685 -6.328 1.00 0.00 H new ATOM 0 HG3 GLU A 176 -19.078 -6.588 -6.175 1.00 0.00 H new ATOM 1148 N LEU A 177 -17.779 -2.655 -3.243 1.00 0.00 N ATOM 1149 CA LEU A 177 -17.417 -1.891 -2.046 1.00 0.00 C ATOM 1150 C LEU A 177 -16.720 -2.766 -1.002 1.00 0.00 C ATOM 1151 O LEU A 177 -16.664 -2.411 0.177 1.00 0.00 O ATOM 1152 CB LEU A 177 -18.649 -1.209 -1.434 1.00 0.00 C ATOM 1153 CG LEU A 177 -19.345 -0.186 -2.333 1.00 0.00 C ATOM 1154 CD1 LEU A 177 -20.617 0.324 -1.674 1.00 0.00 C ATOM 1155 CD2 LEU A 177 -18.408 0.971 -2.641 1.00 0.00 C ATOM 0 H LEU A 177 -17.261 -2.381 -4.078 1.00 0.00 H new ATOM 0 HA LEU A 177 -16.712 -1.121 -2.359 1.00 0.00 H new ATOM 0 HB2 LEU A 177 -19.371 -1.978 -1.161 1.00 0.00 H new ATOM 0 HB3 LEU A 177 -18.348 -0.712 -0.512 1.00 0.00 H new ATOM 0 HG LEU A 177 -19.614 -0.675 -3.269 1.00 0.00 H new ATOM 0 HD11 LEU A 177 -21.099 1.051 -2.328 1.00 0.00 H new ATOM 0 HD12 LEU A 177 -21.295 -0.511 -1.497 1.00 0.00 H new ATOM 0 HD13 LEU A 177 -20.370 0.798 -0.724 1.00 0.00 H new ATOM 0 HD21 LEU A 177 -18.917 1.691 -3.282 1.00 0.00 H new ATOM 0 HD22 LEU A 177 -18.113 1.458 -1.711 1.00 0.00 H new ATOM 0 HD23 LEU A 177 -17.521 0.595 -3.151 1.00 0.00 H new ATOM 1167 N LYS A 178 -16.204 -3.911 -1.432 1.00 0.00 N ATOM 1168 CA LYS A 178 -15.373 -4.746 -0.574 1.00 0.00 C ATOM 1169 C LYS A 178 -13.933 -4.709 -1.060 1.00 0.00 C ATOM 1170 O LYS A 178 -13.676 -4.745 -2.263 1.00 0.00 O ATOM 1171 CB LYS A 178 -15.872 -6.193 -0.535 1.00 0.00 C ATOM 1172 CG LYS A 178 -16.719 -6.523 0.687 1.00 0.00 C ATOM 1173 CD LYS A 178 -18.081 -5.847 0.646 1.00 0.00 C ATOM 1174 CE LYS A 178 -18.998 -6.501 -0.376 1.00 0.00 C ATOM 1175 NZ LYS A 178 -20.320 -5.825 -0.448 1.00 0.00 N1+ ATOM 0 H LYS A 178 -16.347 -4.283 -2.371 1.00 0.00 H new ATOM 0 HA LYS A 178 -15.432 -4.347 0.439 1.00 0.00 H new ATOM 0 HB2 LYS A 178 -16.457 -6.389 -1.434 1.00 0.00 H new ATOM 0 HB3 LYS A 178 -15.013 -6.864 -0.561 1.00 0.00 H new ATOM 0 HG2 LYS A 178 -16.854 -7.603 0.752 1.00 0.00 H new ATOM 0 HG3 LYS A 178 -16.189 -6.213 1.588 1.00 0.00 H new ATOM 0 HD2 LYS A 178 -18.542 -5.895 1.633 1.00 0.00 H new ATOM 0 HD3 LYS A 178 -17.957 -4.792 0.403 1.00 0.00 H new ATOM 0 HE2 LYS A 178 -18.524 -6.476 -1.357 1.00 0.00 H new ATOM 0 HE3 LYS A 178 -19.140 -7.550 -0.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 178 -21.034 -6.495 -0.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 178 -20.592 -5.492 0.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 178 -20.260 -5.014 -1.096 1.00 0.00 H new ATOM 1189 N TYR A 179 -13.007 -4.637 -0.123 1.00 0.00 N ATOM 1190 CA TYR A 179 -11.599 -4.490 -0.448 1.00 0.00 C ATOM 1191 C TYR A 179 -10.834 -5.769 -0.134 1.00 0.00 C ATOM 1192 O TYR A 179 -11.073 -6.407 0.896 1.00 0.00 O ATOM 1193 CB TYR A 179 -10.999 -3.323 0.337 1.00 0.00 C ATOM 1194 CG TYR A 179 -11.779 -2.035 0.199 1.00 0.00 C ATOM 1195 CD1 TYR A 179 -11.544 -1.167 -0.856 1.00 0.00 C ATOM 1196 CD2 TYR A 179 -12.754 -1.690 1.127 1.00 0.00 C ATOM 1197 CE1 TYR A 179 -12.254 0.011 -0.981 1.00 0.00 C ATOM 1198 CE2 TYR A 179 -13.470 -0.516 1.008 1.00 0.00 C ATOM 1199 CZ TYR A 179 -13.217 0.331 -0.047 1.00 0.00 C ATOM 1200 OH TYR A 179 -13.927 1.503 -0.168 1.00 0.00 O ATOM 0 H TYR A 179 -13.206 -4.678 0.877 1.00 0.00 H new ATOM 0 HA TYR A 179 -11.514 -4.289 -1.516 1.00 0.00 H new ATOM 0 HB2 TYR A 179 -10.946 -3.595 1.391 1.00 0.00 H new ATOM 0 HB3 TYR A 179 -9.976 -3.156 -0.001 1.00 0.00 H new ATOM 0 HD1 TYR A 179 -10.794 -1.416 -1.592 1.00 0.00 H new ATOM 0 HD2 TYR A 179 -12.955 -2.352 1.956 1.00 0.00 H new ATOM 0 HE1 TYR A 179 -12.056 0.679 -1.806 1.00 0.00 H new ATOM 0 HE2 TYR A 179 -14.224 -0.263 1.738 1.00 0.00 H new ATOM 0 HH TYR A 179 -14.855 1.300 -0.411 1.00 0.00 H new ATOM 1210 N ASP A 180 -9.927 -6.139 -1.029 1.00 0.00 N ATOM 1211 CA ASP A 180 -9.080 -7.311 -0.842 1.00 0.00 C ATOM 1212 C ASP A 180 -7.795 -7.163 -1.655 1.00 0.00 C ATOM 1213 O ASP A 180 -7.815 -6.635 -2.762 1.00 0.00 O ATOM 1214 CB ASP A 180 -9.844 -8.573 -1.262 1.00 0.00 C ATOM 1215 CG ASP A 180 -8.981 -9.816 -1.313 1.00 0.00 C ATOM 1216 OD1 ASP A 180 -8.125 -9.994 -0.424 1.00 0.00 O ATOM 1217 OD2 ASP A 180 -9.164 -10.624 -2.252 1.00 0.00 O1- ATOM 0 H ASP A 180 -9.758 -5.638 -1.901 1.00 0.00 H new ATOM 0 HA ASP A 180 -8.812 -7.399 0.211 1.00 0.00 H new ATOM 0 HB2 ASP A 180 -10.665 -8.739 -0.565 1.00 0.00 H new ATOM 0 HB3 ASP A 180 -10.288 -8.409 -2.244 1.00 0.00 H new ATOM 1222 N VAL A 181 -6.677 -7.593 -1.090 1.00 0.00 N ATOM 1223 CA VAL A 181 -5.400 -7.569 -1.798 1.00 0.00 C ATOM 1224 C VAL A 181 -5.159 -8.929 -2.454 1.00 0.00 C ATOM 1225 O VAL A 181 -4.307 -9.082 -3.333 1.00 0.00 O ATOM 1226 CB VAL A 181 -4.236 -7.178 -0.840 1.00 0.00 C ATOM 1227 CG1 VAL A 181 -2.876 -7.560 -1.378 1.00 0.00 C ATOM 1228 CG2 VAL A 181 -4.248 -5.688 -0.572 1.00 0.00 C ATOM 0 H VAL A 181 -6.625 -7.964 -0.141 1.00 0.00 H new ATOM 0 HA VAL A 181 -5.435 -6.808 -2.578 1.00 0.00 H new ATOM 0 HB VAL A 181 -4.404 -7.736 0.082 1.00 0.00 H new ATOM 0 HG11 VAL A 181 -2.106 -7.262 -0.666 1.00 0.00 H new ATOM 0 HG12 VAL A 181 -2.834 -8.639 -1.527 1.00 0.00 H new ATOM 0 HG13 VAL A 181 -2.706 -7.055 -2.329 1.00 0.00 H new ATOM 0 HG21 VAL A 181 -3.428 -5.432 0.099 1.00 0.00 H new ATOM 0 HG22 VAL A 181 -4.129 -5.148 -1.512 1.00 0.00 H new ATOM 0 HG23 VAL A 181 -5.195 -5.409 -0.110 1.00 0.00 H new ATOM 1238 N GLY A 182 -5.968 -9.900 -2.060 1.00 0.00 N ATOM 1239 CA GLY A 182 -5.864 -11.228 -2.616 1.00 0.00 C ATOM 1240 C GLY A 182 -5.643 -12.274 -1.553 1.00 0.00 C ATOM 1241 O GLY A 182 -5.352 -13.433 -1.861 1.00 0.00 O ATOM 0 H GLY A 182 -6.700 -9.788 -1.359 1.00 0.00 H new ATOM 0 HA2 GLY A 182 -6.774 -11.461 -3.169 1.00 0.00 H new ATOM 0 HA3 GLY A 182 -5.041 -11.258 -3.330 1.00 0.00 H new ATOM 1245 N GLY A 183 -5.762 -11.871 -0.296 1.00 0.00 N ATOM 1246 CA GLY A 183 -5.502 -12.789 0.791 1.00 0.00 C ATOM 1247 C GLY A 183 -6.496 -12.687 1.925 1.00 0.00 C ATOM 1248 O GLY A 183 -6.889 -11.587 2.322 1.00 0.00 O ATOM 0 H GLY A 183 -6.033 -10.930 -0.012 1.00 0.00 H new ATOM 0 HA2 GLY A 183 -5.510 -13.808 0.404 1.00 0.00 H new ATOM 0 HA3 GLY A 183 -4.501 -12.603 1.180 1.00 0.00 H new ATOM 1252 N GLY A 184 -6.863 -13.833 2.474 1.00 0.00 N ATOM 1253 CA GLY A 184 -7.698 -13.861 3.651 1.00 0.00 C ATOM 1254 C GLY A 184 -9.157 -13.574 3.360 1.00 0.00 C ATOM 1255 O GLY A 184 -9.805 -14.290 2.592 1.00 0.00 O ATOM 0 H GLY A 184 -6.594 -14.751 2.121 1.00 0.00 H new ATOM 0 HA2 GLY A 184 -7.615 -14.840 4.123 1.00 0.00 H new ATOM 0 HA3 GLY A 184 -7.327 -13.129 4.368 1.00 0.00 H new ATOM 1259 N GLU A 185 -9.667 -12.517 3.971 1.00 0.00 N ATOM 1260 CA GLU A 185 -11.082 -12.188 3.904 1.00 0.00 C ATOM 1261 C GLU A 185 -11.289 -10.861 3.188 1.00 0.00 C ATOM 1262 O GLU A 185 -10.373 -10.044 3.105 1.00 0.00 O ATOM 1263 CB GLU A 185 -11.647 -12.104 5.322 1.00 0.00 C ATOM 1264 CG GLU A 185 -11.480 -13.390 6.115 1.00 0.00 C ATOM 1265 CD GLU A 185 -11.654 -13.181 7.603 1.00 0.00 C ATOM 1266 OE1 GLU A 185 -12.804 -13.210 8.089 1.00 0.00 O ATOM 1267 OE2 GLU A 185 -10.637 -12.985 8.298 1.00 0.00 O1- ATOM 0 H GLU A 185 -9.114 -11.864 4.526 1.00 0.00 H new ATOM 0 HA GLU A 185 -11.601 -12.966 3.345 1.00 0.00 H new ATOM 0 HB2 GLU A 185 -11.153 -11.291 5.854 1.00 0.00 H new ATOM 0 HB3 GLU A 185 -12.706 -11.853 5.269 1.00 0.00 H new ATOM 0 HG2 GLU A 185 -12.207 -14.124 5.767 1.00 0.00 H new ATOM 0 HG3 GLU A 185 -10.491 -13.805 5.923 1.00 0.00 H new ATOM 1274 N ARG A 186 -12.492 -10.652 2.676 1.00 0.00 N ATOM 1275 CA ARG A 186 -12.837 -9.400 2.025 1.00 0.00 C ATOM 1276 C ARG A 186 -13.521 -8.483 3.021 1.00 0.00 C ATOM 1277 O ARG A 186 -14.474 -8.883 3.689 1.00 0.00 O ATOM 1278 CB ARG A 186 -13.745 -9.639 0.821 1.00 0.00 C ATOM 1279 CG ARG A 186 -13.095 -10.474 -0.264 1.00 0.00 C ATOM 1280 CD ARG A 186 -13.970 -10.562 -1.499 1.00 0.00 C ATOM 1281 NE ARG A 186 -13.317 -11.317 -2.563 1.00 0.00 N ATOM 1282 CZ ARG A 186 -13.619 -11.201 -3.853 1.00 0.00 C ATOM 1283 NH1 ARG A 186 -14.583 -10.377 -4.243 1.00 0.00 N1+ ATOM 1284 NH2 ARG A 186 -12.956 -11.915 -4.749 1.00 0.00 N ATOM 0 H ARG A 186 -13.248 -11.337 2.700 1.00 0.00 H new ATOM 0 HA ARG A 186 -11.921 -8.931 1.667 1.00 0.00 H new ATOM 0 HB2 ARG A 186 -14.656 -10.135 1.155 1.00 0.00 H new ATOM 0 HB3 ARG A 186 -14.041 -8.678 0.401 1.00 0.00 H new ATOM 0 HG2 ARG A 186 -12.131 -10.040 -0.530 1.00 0.00 H new ATOM 0 HG3 ARG A 186 -12.899 -11.477 0.116 1.00 0.00 H new ATOM 0 HD2 ARG A 186 -14.917 -11.037 -1.242 1.00 0.00 H new ATOM 0 HD3 ARG A 186 -14.203 -9.558 -1.854 1.00 0.00 H new ATOM 0 HE ARG A 186 -12.583 -11.975 -2.301 1.00 0.00 H new ATOM 0 HH11 ARG A 186 -15.096 -9.829 -3.552 1.00 0.00 H new ATOM 0 HH12 ARG A 186 -14.811 -10.291 -5.233 1.00 0.00 H new ATOM 0 HH21 ARG A 186 -12.217 -12.551 -4.449 1.00 0.00 H new ATOM 0 HH22 ARG A 186 -13.184 -11.829 -5.739 1.00 0.00 H new ATOM 1298 N PHE A 187 -13.034 -7.262 3.123 1.00 0.00 N ATOM 1299 CA PHE A 187 -13.517 -6.341 4.138 1.00 0.00 C ATOM 1300 C PHE A 187 -14.317 -5.209 3.513 1.00 0.00 C ATOM 1301 O PHE A 187 -14.001 -4.744 2.419 1.00 0.00 O ATOM 1302 CB PHE A 187 -12.333 -5.788 4.929 1.00 0.00 C ATOM 1303 CG PHE A 187 -11.495 -6.866 5.553 1.00 0.00 C ATOM 1304 CD1 PHE A 187 -11.944 -7.546 6.674 1.00 0.00 C ATOM 1305 CD2 PHE A 187 -10.267 -7.207 5.014 1.00 0.00 C ATOM 1306 CE1 PHE A 187 -11.181 -8.545 7.245 1.00 0.00 C ATOM 1307 CE2 PHE A 187 -9.499 -8.204 5.582 1.00 0.00 C ATOM 1308 CZ PHE A 187 -9.957 -8.875 6.698 1.00 0.00 C ATOM 0 H PHE A 187 -12.306 -6.883 2.518 1.00 0.00 H new ATOM 0 HA PHE A 187 -14.181 -6.881 4.814 1.00 0.00 H new ATOM 0 HB2 PHE A 187 -11.709 -5.187 4.268 1.00 0.00 H new ATOM 0 HB3 PHE A 187 -12.702 -5.124 5.710 1.00 0.00 H new ATOM 0 HD1 PHE A 187 -12.901 -7.292 7.105 1.00 0.00 H new ATOM 0 HD2 PHE A 187 -9.905 -6.687 4.139 1.00 0.00 H new ATOM 0 HE1 PHE A 187 -11.541 -9.068 8.119 1.00 0.00 H new ATOM 0 HE2 PHE A 187 -8.541 -8.459 5.154 1.00 0.00 H new ATOM 0 HZ PHE A 187 -9.359 -9.657 7.142 1.00 0.00 H new ATOM 1318 N ASP A 188 -15.355 -4.774 4.220 1.00 0.00 N ATOM 1319 CA ASP A 188 -16.242 -3.721 3.729 1.00 0.00 C ATOM 1320 C ASP A 188 -15.610 -2.352 3.942 1.00 0.00 C ATOM 1321 O ASP A 188 -16.119 -1.337 3.469 1.00 0.00 O ATOM 1322 CB ASP A 188 -17.601 -3.779 4.441 1.00 0.00 C ATOM 1323 CG ASP A 188 -17.551 -3.225 5.853 1.00 0.00 C ATOM 1324 OD1 ASP A 188 -17.017 -3.912 6.749 1.00 0.00 O ATOM 1325 OD2 ASP A 188 -18.055 -2.104 6.080 1.00 0.00 O1- ATOM 0 H ASP A 188 -15.605 -5.136 5.140 1.00 0.00 H new ATOM 0 HA ASP A 188 -16.397 -3.881 2.662 1.00 0.00 H new ATOM 0 HB2 ASP A 188 -18.334 -3.217 3.861 1.00 0.00 H new ATOM 0 HB3 ASP A 188 -17.945 -4.813 4.473 1.00 0.00 H new ATOM 1330 N SER A 189 -14.506 -2.335 4.666 1.00 0.00 N ATOM 1331 CA SER A 189 -13.771 -1.111 4.907 1.00 0.00 C ATOM 1332 C SER A 189 -12.299 -1.334 4.597 1.00 0.00 C ATOM 1333 O SER A 189 -11.758 -2.416 4.837 1.00 0.00 O ATOM 1334 CB SER A 189 -13.941 -0.670 6.361 1.00 0.00 C ATOM 1335 OG SER A 189 -13.437 -1.649 7.252 1.00 0.00 O ATOM 0 H SER A 189 -14.098 -3.163 5.100 1.00 0.00 H new ATOM 0 HA SER A 189 -14.161 -0.326 4.259 1.00 0.00 H new ATOM 0 HB2 SER A 189 -13.421 0.274 6.521 1.00 0.00 H new ATOM 0 HB3 SER A 189 -14.996 -0.492 6.570 1.00 0.00 H new ATOM 0 HG SER A 189 -13.556 -1.343 8.175 1.00 0.00 H new ATOM 1341 N LEU A 190 -11.658 -0.311 4.054 1.00 0.00 N ATOM 1342 CA LEU A 190 -10.250 -0.399 3.712 1.00 0.00 C ATOM 1343 C LEU A 190 -9.399 -0.429 4.974 1.00 0.00 C ATOM 1344 O LEU A 190 -8.257 -0.881 4.948 1.00 0.00 O ATOM 1345 CB LEU A 190 -9.834 0.760 2.804 1.00 0.00 C ATOM 1346 CG LEU A 190 -9.341 0.341 1.416 1.00 0.00 C ATOM 1347 CD1 LEU A 190 -9.012 1.552 0.568 1.00 0.00 C ATOM 1348 CD2 LEU A 190 -8.124 -0.556 1.521 1.00 0.00 C ATOM 0 H LEU A 190 -12.091 0.588 3.841 1.00 0.00 H new ATOM 0 HA LEU A 190 -10.088 -1.327 3.164 1.00 0.00 H new ATOM 0 HB2 LEU A 190 -10.683 1.433 2.685 1.00 0.00 H new ATOM 0 HB3 LEU A 190 -9.045 1.326 3.299 1.00 0.00 H new ATOM 0 HG LEU A 190 -10.147 -0.214 0.936 1.00 0.00 H new ATOM 0 HD11 LEU A 190 -8.664 1.226 -0.412 1.00 0.00 H new ATOM 0 HD12 LEU A 190 -9.904 2.167 0.451 1.00 0.00 H new ATOM 0 HD13 LEU A 190 -8.230 2.135 1.055 1.00 0.00 H new ATOM 0 HD21 LEU A 190 -7.794 -0.839 0.522 1.00 0.00 H new ATOM 0 HD22 LEU A 190 -7.322 -0.023 2.031 1.00 0.00 H new ATOM 0 HD23 LEU A 190 -8.380 -1.452 2.086 1.00 0.00 H new ATOM 1360 N THR A 191 -9.959 0.070 6.070 1.00 0.00 N ATOM 1361 CA THR A 191 -9.276 0.047 7.352 1.00 0.00 C ATOM 1362 C THR A 191 -8.973 -1.387 7.774 1.00 0.00 C ATOM 1363 O THR A 191 -7.841 -1.711 8.120 1.00 0.00 O ATOM 1364 CB THR A 191 -10.121 0.727 8.444 1.00 0.00 C ATOM 1365 OG1 THR A 191 -10.723 1.921 7.920 1.00 0.00 O ATOM 1366 CG2 THR A 191 -9.257 1.078 9.647 1.00 0.00 C ATOM 0 H THR A 191 -10.886 0.495 6.093 1.00 0.00 H new ATOM 0 HA THR A 191 -8.342 0.596 7.234 1.00 0.00 H new ATOM 0 HB THR A 191 -10.900 0.034 8.761 1.00 0.00 H new ATOM 0 HG1 THR A 191 -11.261 2.350 8.618 1.00 0.00 H new ATOM 0 HG21 THR A 191 -9.872 1.558 10.409 1.00 0.00 H new ATOM 0 HG22 THR A 191 -8.816 0.169 10.056 1.00 0.00 H new ATOM 0 HG23 THR A 191 -8.464 1.759 9.339 1.00 0.00 H new ATOM 1374 N ASP A 192 -9.977 -2.253 7.710 1.00 0.00 N ATOM 1375 CA ASP A 192 -9.782 -3.656 8.058 1.00 0.00 C ATOM 1376 C ASP A 192 -8.870 -4.334 7.050 1.00 0.00 C ATOM 1377 O ASP A 192 -8.138 -5.261 7.390 1.00 0.00 O ATOM 1378 CB ASP A 192 -11.115 -4.402 8.139 1.00 0.00 C ATOM 1379 CG ASP A 192 -11.879 -4.098 9.409 1.00 0.00 C ATOM 1380 OD1 ASP A 192 -11.329 -4.330 10.509 1.00 0.00 O ATOM 1381 OD2 ASP A 192 -13.041 -3.651 9.318 1.00 0.00 O1- ATOM 0 H ASP A 192 -10.926 -2.012 7.423 1.00 0.00 H new ATOM 0 HA ASP A 192 -9.313 -3.688 9.042 1.00 0.00 H new ATOM 0 HB2 ASP A 192 -11.729 -4.135 7.278 1.00 0.00 H new ATOM 0 HB3 ASP A 192 -10.930 -5.475 8.079 1.00 0.00 H new ATOM 1386 N LEU A 193 -8.915 -3.863 5.810 1.00 0.00 N ATOM 1387 CA LEU A 193 -8.056 -4.389 4.759 1.00 0.00 C ATOM 1388 C LEU A 193 -6.595 -4.147 5.116 1.00 0.00 C ATOM 1389 O LEU A 193 -5.796 -5.084 5.182 1.00 0.00 O ATOM 1390 CB LEU A 193 -8.400 -3.709 3.420 1.00 0.00 C ATOM 1391 CG LEU A 193 -7.719 -4.264 2.154 1.00 0.00 C ATOM 1392 CD1 LEU A 193 -6.233 -3.895 2.087 1.00 0.00 C ATOM 1393 CD2 LEU A 193 -7.901 -5.770 2.080 1.00 0.00 C ATOM 0 H LEU A 193 -9.540 -3.115 5.508 1.00 0.00 H new ATOM 0 HA LEU A 193 -8.219 -5.462 4.662 1.00 0.00 H new ATOM 0 HB2 LEU A 193 -9.479 -3.770 3.278 1.00 0.00 H new ATOM 0 HB3 LEU A 193 -8.148 -2.652 3.503 1.00 0.00 H new ATOM 0 HG LEU A 193 -8.201 -3.802 1.292 1.00 0.00 H new ATOM 0 HD11 LEU A 193 -5.796 -4.308 1.178 1.00 0.00 H new ATOM 0 HD12 LEU A 193 -6.127 -2.810 2.080 1.00 0.00 H new ATOM 0 HD13 LEU A 193 -5.717 -4.304 2.956 1.00 0.00 H new ATOM 0 HD21 LEU A 193 -7.416 -6.151 1.182 1.00 0.00 H new ATOM 0 HD22 LEU A 193 -7.454 -6.234 2.959 1.00 0.00 H new ATOM 0 HD23 LEU A 193 -8.964 -6.007 2.046 1.00 0.00 H new ATOM 1405 N VAL A 194 -6.263 -2.890 5.381 1.00 0.00 N ATOM 1406 CA VAL A 194 -4.884 -2.512 5.639 1.00 0.00 C ATOM 1407 C VAL A 194 -4.402 -3.080 6.966 1.00 0.00 C ATOM 1408 O VAL A 194 -3.271 -3.545 7.069 1.00 0.00 O ATOM 1409 CB VAL A 194 -4.686 -0.978 5.619 1.00 0.00 C ATOM 1410 CG1 VAL A 194 -5.011 -0.408 4.243 1.00 0.00 C ATOM 1411 CG2 VAL A 194 -5.518 -0.288 6.690 1.00 0.00 C ATOM 0 H VAL A 194 -6.929 -2.119 5.422 1.00 0.00 H new ATOM 0 HA VAL A 194 -4.287 -2.936 4.832 1.00 0.00 H new ATOM 0 HB VAL A 194 -3.636 -0.784 5.839 1.00 0.00 H new ATOM 0 HG11 VAL A 194 -4.865 0.672 4.253 1.00 0.00 H new ATOM 0 HG12 VAL A 194 -4.353 -0.857 3.499 1.00 0.00 H new ATOM 0 HG13 VAL A 194 -6.048 -0.631 3.992 1.00 0.00 H new ATOM 0 HG21 VAL A 194 -5.351 0.788 6.643 1.00 0.00 H new ATOM 0 HG22 VAL A 194 -6.574 -0.499 6.522 1.00 0.00 H new ATOM 0 HG23 VAL A 194 -5.225 -0.658 7.673 1.00 0.00 H new ATOM 1421 N GLU A 195 -5.269 -3.061 7.971 1.00 0.00 N ATOM 1422 CA GLU A 195 -4.923 -3.591 9.285 1.00 0.00 C ATOM 1423 C GLU A 195 -4.719 -5.101 9.240 1.00 0.00 C ATOM 1424 O GLU A 195 -3.852 -5.633 9.934 1.00 0.00 O ATOM 1425 CB GLU A 195 -5.979 -3.235 10.333 1.00 0.00 C ATOM 1426 CG GLU A 195 -6.100 -1.744 10.590 1.00 0.00 C ATOM 1427 CD GLU A 195 -6.702 -1.432 11.943 1.00 0.00 C ATOM 1428 OE1 GLU A 195 -5.927 -1.123 12.875 1.00 0.00 O ATOM 1429 OE2 GLU A 195 -7.942 -1.488 12.085 1.00 0.00 O1- ATOM 0 H GLU A 195 -6.215 -2.685 7.902 1.00 0.00 H new ATOM 0 HA GLU A 195 -3.982 -3.123 9.576 1.00 0.00 H new ATOM 0 HB2 GLU A 195 -6.946 -3.619 10.008 1.00 0.00 H new ATOM 0 HB3 GLU A 195 -5.735 -3.738 11.269 1.00 0.00 H new ATOM 0 HG2 GLU A 195 -5.113 -1.286 10.522 1.00 0.00 H new ATOM 0 HG3 GLU A 195 -6.715 -1.294 9.811 1.00 0.00 H new ATOM 1436 N HIS A 196 -5.497 -5.787 8.413 1.00 0.00 N ATOM 1437 CA HIS A 196 -5.350 -7.230 8.264 1.00 0.00 C ATOM 1438 C HIS A 196 -3.952 -7.573 7.766 1.00 0.00 C ATOM 1439 O HIS A 196 -3.321 -8.511 8.254 1.00 0.00 O ATOM 1440 CB HIS A 196 -6.399 -7.795 7.302 1.00 0.00 C ATOM 1441 CG HIS A 196 -6.297 -9.278 7.107 1.00 0.00 C ATOM 1442 ND1 HIS A 196 -5.910 -9.855 5.916 1.00 0.00 N ATOM 1443 CD2 HIS A 196 -6.525 -10.303 7.961 1.00 0.00 C ATOM 1444 CE1 HIS A 196 -5.904 -11.168 6.048 1.00 0.00 C ATOM 1445 NE2 HIS A 196 -6.272 -11.464 7.278 1.00 0.00 N ATOM 0 H HIS A 196 -6.231 -5.372 7.839 1.00 0.00 H new ATOM 0 HA HIS A 196 -5.502 -7.684 9.243 1.00 0.00 H new ATOM 0 HB2 HIS A 196 -7.393 -7.554 7.679 1.00 0.00 H new ATOM 0 HB3 HIS A 196 -6.297 -7.302 6.335 1.00 0.00 H new ATOM 0 HD1 HIS A 196 -5.666 -9.347 5.066 1.00 0.00 H new ATOM 0 HD2 HIS A 196 -6.846 -10.221 8.989 1.00 0.00 H new ATOM 0 HE1 HIS A 196 -5.642 -11.879 5.279 1.00 0.00 H new ATOM 1454 N TYR A 197 -3.467 -6.805 6.800 1.00 0.00 N ATOM 1455 CA TYR A 197 -2.140 -7.033 6.253 1.00 0.00 C ATOM 1456 C TYR A 197 -1.081 -6.327 7.097 1.00 0.00 C ATOM 1457 O TYR A 197 0.116 -6.554 6.942 1.00 0.00 O ATOM 1458 CB TYR A 197 -2.071 -6.576 4.801 1.00 0.00 C ATOM 1459 CG TYR A 197 -3.053 -7.295 3.907 1.00 0.00 C ATOM 1460 CD1 TYR A 197 -3.984 -6.587 3.172 1.00 0.00 C ATOM 1461 CD2 TYR A 197 -3.051 -8.682 3.806 1.00 0.00 C ATOM 1462 CE1 TYR A 197 -4.886 -7.234 2.358 1.00 0.00 C ATOM 1463 CE2 TYR A 197 -3.955 -9.337 2.991 1.00 0.00 C ATOM 1464 CZ TYR A 197 -4.871 -8.605 2.266 1.00 0.00 C ATOM 1465 OH TYR A 197 -5.771 -9.240 1.441 1.00 0.00 O ATOM 0 H TYR A 197 -3.971 -6.023 6.382 1.00 0.00 H new ATOM 0 HA TYR A 197 -1.937 -8.104 6.281 1.00 0.00 H new ATOM 0 HB2 TYR A 197 -2.263 -5.504 4.754 1.00 0.00 H new ATOM 0 HB3 TYR A 197 -1.061 -6.735 4.424 1.00 0.00 H new ATOM 0 HD1 TYR A 197 -4.004 -5.509 3.237 1.00 0.00 H new ATOM 0 HD2 TYR A 197 -2.333 -9.256 4.373 1.00 0.00 H new ATOM 0 HE1 TYR A 197 -5.606 -6.663 1.791 1.00 0.00 H new ATOM 0 HE2 TYR A 197 -3.944 -10.415 2.923 1.00 0.00 H new ATOM 0 HH TYR A 197 -5.979 -10.126 1.804 1.00 0.00 H new ATOM 1475 N LYS A 198 -1.541 -5.464 7.993 1.00 0.00 N ATOM 1476 CA LYS A 198 -0.670 -4.820 8.965 1.00 0.00 C ATOM 1477 C LYS A 198 -0.275 -5.836 10.031 1.00 0.00 C ATOM 1478 O LYS A 198 0.789 -5.744 10.643 1.00 0.00 O ATOM 1479 CB LYS A 198 -1.395 -3.621 9.592 1.00 0.00 C ATOM 1480 CG LYS A 198 -0.528 -2.752 10.488 1.00 0.00 C ATOM 1481 CD LYS A 198 -1.298 -1.535 10.995 1.00 0.00 C ATOM 1482 CE LYS A 198 -2.515 -1.934 11.823 1.00 0.00 C ATOM 1483 NZ LYS A 198 -3.262 -0.748 12.324 1.00 0.00 N1+ ATOM 0 H LYS A 198 -2.521 -5.193 8.066 1.00 0.00 H new ATOM 0 HA LYS A 198 0.233 -4.455 8.476 1.00 0.00 H new ATOM 0 HB2 LYS A 198 -1.803 -3.002 8.793 1.00 0.00 H new ATOM 0 HB3 LYS A 198 -2.241 -3.989 10.173 1.00 0.00 H new ATOM 0 HG2 LYS A 198 -0.174 -3.339 11.335 1.00 0.00 H new ATOM 0 HG3 LYS A 198 0.353 -2.424 9.937 1.00 0.00 H new ATOM 0 HD2 LYS A 198 -0.637 -0.913 11.599 1.00 0.00 H new ATOM 0 HD3 LYS A 198 -1.619 -0.930 10.147 1.00 0.00 H new ATOM 0 HE2 LYS A 198 -3.179 -2.551 11.218 1.00 0.00 H new ATOM 0 HE3 LYS A 198 -2.195 -2.544 12.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 198 -4.267 -0.991 12.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 198 -2.874 -0.457 13.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 198 -3.167 0.034 11.645 1.00 0.00 H new ATOM 1497 N LYS A 199 -1.147 -6.811 10.238 1.00 0.00 N ATOM 1498 CA LYS A 199 -0.867 -7.911 11.146 1.00 0.00 C ATOM 1499 C LYS A 199 -0.196 -9.060 10.400 1.00 0.00 C ATOM 1500 O LYS A 199 0.679 -9.738 10.938 1.00 0.00 O ATOM 1501 CB LYS A 199 -2.162 -8.405 11.797 1.00 0.00 C ATOM 1502 CG LYS A 199 -2.892 -7.347 12.614 1.00 0.00 C ATOM 1503 CD LYS A 199 -2.040 -6.823 13.765 1.00 0.00 C ATOM 1504 CE LYS A 199 -1.667 -7.928 14.744 1.00 0.00 C ATOM 1505 NZ LYS A 199 -2.861 -8.535 15.391 1.00 0.00 N1+ ATOM 0 H LYS A 199 -2.060 -6.862 9.786 1.00 0.00 H new ATOM 0 HA LYS A 199 -0.192 -7.551 11.923 1.00 0.00 H new ATOM 0 HB2 LYS A 199 -2.830 -8.772 11.018 1.00 0.00 H new ATOM 0 HB3 LYS A 199 -1.931 -9.252 12.443 1.00 0.00 H new ATOM 0 HG2 LYS A 199 -3.173 -6.518 11.965 1.00 0.00 H new ATOM 0 HG3 LYS A 199 -3.816 -7.769 13.010 1.00 0.00 H new ATOM 0 HD2 LYS A 199 -1.132 -6.369 13.367 1.00 0.00 H new ATOM 0 HD3 LYS A 199 -2.584 -6.039 14.292 1.00 0.00 H new ATOM 0 HE2 LYS A 199 -1.108 -8.702 14.219 1.00 0.00 H new ATOM 0 HE3 LYS A 199 -1.007 -7.523 15.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 199 -2.556 -9.184 16.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 199 -3.454 -7.784 15.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 199 -3.410 -9.062 14.682 1.00 0.00 H new ATOM 1519 N ASN A 200 -0.609 -9.265 9.157 1.00 0.00 N ATOM 1520 CA ASN A 200 -0.086 -10.356 8.345 1.00 0.00 C ATOM 1521 C ASN A 200 0.657 -9.811 7.135 1.00 0.00 C ATOM 1522 O ASN A 200 0.034 -9.369 6.170 1.00 0.00 O ATOM 1523 CB ASN A 200 -1.221 -11.270 7.872 1.00 0.00 C ATOM 1524 CG ASN A 200 -2.009 -11.870 9.017 1.00 0.00 C ATOM 1525 OD1 ASN A 200 -1.679 -12.943 9.522 1.00 0.00 O ATOM 1526 ND2 ASN A 200 -3.062 -11.182 9.434 1.00 0.00 N ATOM 0 H ASN A 200 -1.307 -8.688 8.687 1.00 0.00 H new ATOM 0 HA ASN A 200 0.604 -10.932 8.962 1.00 0.00 H new ATOM 0 HB2 ASN A 200 -1.896 -10.702 7.232 1.00 0.00 H new ATOM 0 HB3 ASN A 200 -0.805 -12.073 7.264 1.00 0.00 H new ATOM 0 HD21 ASN A 200 -3.633 -11.538 10.201 1.00 0.00 H new ATOM 0 HD22 ASN A 200 -3.302 -10.296 8.988 1.00 0.00 H new ATOM 1533 N PRO A 201 1.998 -9.819 7.178 1.00 0.00 N ATOM 1534 CA PRO A 201 2.826 -9.352 6.064 1.00 0.00 C ATOM 1535 C PRO A 201 2.537 -10.120 4.776 1.00 0.00 C ATOM 1536 O PRO A 201 2.592 -11.351 4.743 1.00 0.00 O ATOM 1537 CB PRO A 201 4.258 -9.621 6.537 1.00 0.00 C ATOM 1538 CG PRO A 201 4.163 -9.693 8.021 1.00 0.00 C ATOM 1539 CD PRO A 201 2.812 -10.274 8.316 1.00 0.00 C ATOM 0 HA PRO A 201 2.637 -8.305 5.827 1.00 0.00 H new ATOM 0 HB2 PRO A 201 4.644 -10.551 6.120 1.00 0.00 H new ATOM 0 HB3 PRO A 201 4.934 -8.826 6.222 1.00 0.00 H new ATOM 0 HG2 PRO A 201 4.956 -10.317 8.434 1.00 0.00 H new ATOM 0 HG3 PRO A 201 4.270 -8.705 8.468 1.00 0.00 H new ATOM 0 HD2 PRO A 201 2.846 -11.362 8.378 1.00 0.00 H new ATOM 0 HD3 PRO A 201 2.416 -9.913 9.265 1.00 0.00 H new ATOM 1547 N MET A 202 2.240 -9.385 3.719 1.00 0.00 N ATOM 1548 CA MET A 202 1.896 -9.983 2.436 1.00 0.00 C ATOM 1549 C MET A 202 3.156 -10.210 1.590 1.00 0.00 C ATOM 1550 O MET A 202 3.884 -9.269 1.280 1.00 0.00 O ATOM 1551 CB MET A 202 0.913 -9.068 1.699 1.00 0.00 C ATOM 1552 CG MET A 202 1.416 -7.642 1.595 1.00 0.00 C ATOM 1553 SD MET A 202 0.545 -6.656 0.369 1.00 0.00 S ATOM 1554 CE MET A 202 -0.825 -5.995 1.296 1.00 0.00 C ATOM 0 H MET A 202 2.230 -8.365 3.722 1.00 0.00 H new ATOM 0 HA MET A 202 1.428 -10.952 2.607 1.00 0.00 H new ATOM 0 HB2 MET A 202 0.736 -9.461 0.698 1.00 0.00 H new ATOM 0 HB3 MET A 202 -0.045 -9.075 2.219 1.00 0.00 H new ATOM 0 HG2 MET A 202 1.322 -7.161 2.569 1.00 0.00 H new ATOM 0 HG3 MET A 202 2.478 -7.658 1.348 1.00 0.00 H new ATOM 0 HE1 MET A 202 -1.364 -5.273 0.683 1.00 0.00 H new ATOM 0 HE2 MET A 202 -1.497 -6.805 1.579 1.00 0.00 H new ATOM 0 HE3 MET A 202 -0.453 -5.502 2.194 1.00 0.00 H new ATOM 1564 N VAL A 203 3.417 -11.458 1.224 1.00 0.00 N ATOM 1565 CA VAL A 203 4.639 -11.799 0.493 1.00 0.00 C ATOM 1566 C VAL A 203 4.388 -11.901 -1.014 1.00 0.00 C ATOM 1567 O VAL A 203 3.388 -12.462 -1.444 1.00 0.00 O ATOM 1568 CB VAL A 203 5.232 -13.145 0.969 1.00 0.00 C ATOM 1569 CG1 VAL A 203 6.573 -13.395 0.307 1.00 0.00 C ATOM 1570 CG2 VAL A 203 5.384 -13.191 2.478 1.00 0.00 C ATOM 0 H VAL A 203 2.805 -12.250 1.418 1.00 0.00 H new ATOM 0 HA VAL A 203 5.343 -10.992 0.696 1.00 0.00 H new ATOM 0 HB VAL A 203 4.534 -13.930 0.679 1.00 0.00 H new ATOM 0 HG11 VAL A 203 6.978 -14.346 0.652 1.00 0.00 H new ATOM 0 HG12 VAL A 203 6.444 -13.427 -0.775 1.00 0.00 H new ATOM 0 HG13 VAL A 203 7.262 -12.592 0.567 1.00 0.00 H new ATOM 0 HG21 VAL A 203 5.804 -14.153 2.772 1.00 0.00 H new ATOM 0 HG22 VAL A 203 6.050 -12.391 2.801 1.00 0.00 H new ATOM 0 HG23 VAL A 203 4.408 -13.063 2.946 1.00 0.00 H new ATOM 1580 N GLU A 204 5.295 -11.339 -1.808 1.00 0.00 N ATOM 1581 CA GLU A 204 5.306 -11.558 -3.252 1.00 0.00 C ATOM 1582 C GLU A 204 6.078 -12.823 -3.581 1.00 0.00 C ATOM 1583 O GLU A 204 6.816 -13.344 -2.751 1.00 0.00 O ATOM 1584 CB GLU A 204 5.977 -10.406 -3.998 1.00 0.00 C ATOM 1585 CG GLU A 204 5.207 -9.107 -4.007 1.00 0.00 C ATOM 1586 CD GLU A 204 5.633 -8.238 -5.169 1.00 0.00 C ATOM 1587 OE1 GLU A 204 5.168 -8.502 -6.298 1.00 0.00 O ATOM 1588 OE2 GLU A 204 6.430 -7.302 -4.966 1.00 0.00 O1- ATOM 0 H GLU A 204 6.037 -10.724 -1.473 1.00 0.00 H new ATOM 0 HA GLU A 204 4.265 -11.636 -3.566 1.00 0.00 H new ATOM 0 HB2 GLU A 204 6.955 -10.226 -3.551 1.00 0.00 H new ATOM 0 HB3 GLU A 204 6.149 -10.714 -5.029 1.00 0.00 H new ATOM 0 HG2 GLU A 204 4.139 -9.313 -4.074 1.00 0.00 H new ATOM 0 HG3 GLU A 204 5.371 -8.575 -3.070 1.00 0.00 H new ATOM 1595 N THR A 205 5.949 -13.288 -4.814 1.00 0.00 N ATOM 1596 CA THR A 205 6.683 -14.461 -5.257 1.00 0.00 C ATOM 1597 C THR A 205 8.146 -14.100 -5.499 1.00 0.00 C ATOM 1598 O THR A 205 9.010 -14.967 -5.587 1.00 0.00 O ATOM 1599 CB THR A 205 6.064 -15.069 -6.538 1.00 0.00 C ATOM 1600 OG1 THR A 205 6.726 -16.289 -6.884 1.00 0.00 O ATOM 1601 CG2 THR A 205 6.144 -14.097 -7.708 1.00 0.00 C ATOM 0 H THR A 205 5.345 -12.872 -5.523 1.00 0.00 H new ATOM 0 HA THR A 205 6.621 -15.213 -4.470 1.00 0.00 H new ATOM 0 HB THR A 205 5.014 -15.274 -6.329 1.00 0.00 H new ATOM 0 HG1 THR A 205 7.662 -16.246 -6.597 1.00 0.00 H new ATOM 0 HG21 THR A 205 5.701 -14.555 -8.592 1.00 0.00 H new ATOM 0 HG22 THR A 205 5.601 -13.185 -7.461 1.00 0.00 H new ATOM 0 HG23 THR A 205 7.188 -13.855 -7.909 1.00 0.00 H new ATOM 1609 N LEU A 206 8.409 -12.800 -5.572 1.00 0.00 N ATOM 1610 CA LEU A 206 9.755 -12.291 -5.795 1.00 0.00 C ATOM 1611 C LEU A 206 10.530 -12.266 -4.485 1.00 0.00 C ATOM 1612 O LEU A 206 11.727 -11.991 -4.461 1.00 0.00 O ATOM 1613 CB LEU A 206 9.711 -10.873 -6.386 1.00 0.00 C ATOM 1614 CG LEU A 206 9.030 -10.729 -7.750 1.00 0.00 C ATOM 1615 CD1 LEU A 206 7.522 -10.782 -7.599 1.00 0.00 C ATOM 1616 CD2 LEU A 206 9.447 -9.429 -8.414 1.00 0.00 C ATOM 0 H LEU A 206 7.699 -12.074 -5.479 1.00 0.00 H new ATOM 0 HA LEU A 206 10.254 -12.954 -6.502 1.00 0.00 H new ATOM 0 HB2 LEU A 206 9.199 -10.222 -5.677 1.00 0.00 H new ATOM 0 HB3 LEU A 206 10.734 -10.507 -6.474 1.00 0.00 H new ATOM 0 HG LEU A 206 9.344 -11.560 -8.382 1.00 0.00 H new ATOM 0 HD11 LEU A 206 7.054 -10.678 -8.578 1.00 0.00 H new ATOM 0 HD12 LEU A 206 7.234 -11.737 -7.159 1.00 0.00 H new ATOM 0 HD13 LEU A 206 7.192 -9.969 -6.952 1.00 0.00 H new ATOM 0 HD21 LEU A 206 8.955 -9.341 -9.383 1.00 0.00 H new ATOM 0 HD22 LEU A 206 9.158 -8.589 -7.782 1.00 0.00 H new ATOM 0 HD23 LEU A 206 10.528 -9.423 -8.554 1.00 0.00 H new ATOM 1628 N GLY A 207 9.832 -12.546 -3.392 1.00 0.00 N ATOM 1629 CA GLY A 207 10.449 -12.504 -2.083 1.00 0.00 C ATOM 1630 C GLY A 207 10.135 -11.219 -1.354 1.00 0.00 C ATOM 1631 O GLY A 207 10.240 -11.153 -0.130 1.00 0.00 O ATOM 0 H GLY A 207 8.845 -12.803 -3.390 1.00 0.00 H new ATOM 0 HA2 GLY A 207 10.103 -13.351 -1.491 1.00 0.00 H new ATOM 0 HA3 GLY A 207 11.529 -12.608 -2.187 1.00 0.00 H new ATOM 1635 N THR A 208 9.761 -10.190 -2.107 1.00 0.00 N ATOM 1636 CA THR A 208 9.331 -8.935 -1.516 1.00 0.00 C ATOM 1637 C THR A 208 8.075 -9.157 -0.692 1.00 0.00 C ATOM 1638 O THR A 208 7.020 -9.465 -1.233 1.00 0.00 O ATOM 1639 CB THR A 208 9.024 -7.887 -2.608 1.00 0.00 C ATOM 1640 OG1 THR A 208 10.211 -7.602 -3.362 1.00 0.00 O ATOM 1641 CG2 THR A 208 8.454 -6.600 -2.013 1.00 0.00 C ATOM 0 H THR A 208 9.748 -10.204 -3.127 1.00 0.00 H new ATOM 0 HA THR A 208 10.139 -8.568 -0.883 1.00 0.00 H new ATOM 0 HB THR A 208 8.267 -8.307 -3.270 1.00 0.00 H new ATOM 0 HG1 THR A 208 10.008 -6.938 -4.053 1.00 0.00 H new ATOM 0 HG21 THR A 208 8.251 -5.888 -2.813 1.00 0.00 H new ATOM 0 HG22 THR A 208 7.528 -6.823 -1.483 1.00 0.00 H new ATOM 0 HG23 THR A 208 9.175 -6.170 -1.318 1.00 0.00 H new ATOM 1649 N VAL A 209 8.187 -9.018 0.609 1.00 0.00 N ATOM 1650 CA VAL A 209 7.026 -9.079 1.455 1.00 0.00 C ATOM 1651 C VAL A 209 6.756 -7.732 2.084 1.00 0.00 C ATOM 1652 O VAL A 209 7.606 -7.155 2.766 1.00 0.00 O ATOM 1653 CB VAL A 209 7.130 -10.200 2.508 1.00 0.00 C ATOM 1654 CG1 VAL A 209 8.513 -10.343 3.077 1.00 0.00 C ATOM 1655 CG2 VAL A 209 6.146 -10.009 3.639 1.00 0.00 C ATOM 0 H VAL A 209 9.068 -8.863 1.099 1.00 0.00 H new ATOM 0 HA VAL A 209 6.171 -9.333 0.828 1.00 0.00 H new ATOM 0 HB VAL A 209 6.886 -11.117 1.971 1.00 0.00 H new ATOM 0 HG11 VAL A 209 8.523 -11.148 3.812 1.00 0.00 H new ATOM 0 HG12 VAL A 209 9.214 -10.576 2.275 1.00 0.00 H new ATOM 0 HG13 VAL A 209 8.807 -9.410 3.557 1.00 0.00 H new ATOM 0 HG21 VAL A 209 6.255 -10.822 4.357 1.00 0.00 H new ATOM 0 HG22 VAL A 209 6.342 -9.058 4.135 1.00 0.00 H new ATOM 0 HG23 VAL A 209 5.131 -10.009 3.242 1.00 0.00 H new ATOM 1665 N LEU A 210 5.565 -7.232 1.819 1.00 0.00 N ATOM 1666 CA LEU A 210 5.180 -5.909 2.243 1.00 0.00 C ATOM 1667 C LEU A 210 4.843 -5.922 3.723 1.00 0.00 C ATOM 1668 O LEU A 210 3.829 -6.484 4.142 1.00 0.00 O ATOM 1669 CB LEU A 210 3.993 -5.399 1.413 1.00 0.00 C ATOM 1670 CG LEU A 210 4.196 -5.368 -0.116 1.00 0.00 C ATOM 1671 CD1 LEU A 210 5.654 -5.205 -0.494 1.00 0.00 C ATOM 1672 CD2 LEU A 210 3.642 -6.609 -0.782 1.00 0.00 C ATOM 0 H LEU A 210 4.841 -7.734 1.304 1.00 0.00 H new ATOM 0 HA LEU A 210 6.015 -5.227 2.082 1.00 0.00 H new ATOM 0 HB2 LEU A 210 3.128 -6.025 1.631 1.00 0.00 H new ATOM 0 HB3 LEU A 210 3.749 -4.390 1.747 1.00 0.00 H new ATOM 0 HG LEU A 210 3.644 -4.499 -0.474 1.00 0.00 H new ATOM 0 HD11 LEU A 210 5.749 -5.188 -1.580 1.00 0.00 H new ATOM 0 HD12 LEU A 210 6.034 -4.270 -0.082 1.00 0.00 H new ATOM 0 HD13 LEU A 210 6.229 -6.039 -0.092 1.00 0.00 H new ATOM 0 HD21 LEU A 210 3.805 -6.548 -1.858 1.00 0.00 H new ATOM 0 HD22 LEU A 210 4.148 -7.490 -0.388 1.00 0.00 H new ATOM 0 HD23 LEU A 210 2.573 -6.684 -0.581 1.00 0.00 H new ATOM 1684 N GLN A 211 5.723 -5.333 4.510 1.00 0.00 N ATOM 1685 CA GLN A 211 5.548 -5.279 5.949 1.00 0.00 C ATOM 1686 C GLN A 211 4.854 -3.982 6.341 1.00 0.00 C ATOM 1687 O GLN A 211 5.498 -2.961 6.582 1.00 0.00 O ATOM 1688 CB GLN A 211 6.907 -5.418 6.639 1.00 0.00 C ATOM 1689 CG GLN A 211 7.616 -6.717 6.283 1.00 0.00 C ATOM 1690 CD GLN A 211 9.041 -6.777 6.792 1.00 0.00 C ATOM 1691 OE1 GLN A 211 9.301 -7.235 7.905 1.00 0.00 O ATOM 1692 NE2 GLN A 211 9.978 -6.322 5.975 1.00 0.00 N ATOM 0 H GLN A 211 6.573 -4.882 4.173 1.00 0.00 H new ATOM 0 HA GLN A 211 4.916 -6.106 6.273 1.00 0.00 H new ATOM 0 HB2 GLN A 211 7.540 -4.575 6.360 1.00 0.00 H new ATOM 0 HB3 GLN A 211 6.768 -5.369 7.719 1.00 0.00 H new ATOM 0 HG2 GLN A 211 7.054 -7.555 6.695 1.00 0.00 H new ATOM 0 HG3 GLN A 211 7.618 -6.837 5.200 1.00 0.00 H new ATOM 0 HE21 GLN A 211 9.721 -5.950 5.061 1.00 0.00 H new ATOM 0 HE22 GLN A 211 10.957 -6.343 6.260 1.00 0.00 H new ATOM 1701 N LEU A 212 3.533 -4.041 6.381 1.00 0.00 N ATOM 1702 CA LEU A 212 2.698 -2.886 6.688 1.00 0.00 C ATOM 1703 C LEU A 212 2.773 -2.561 8.178 1.00 0.00 C ATOM 1704 O LEU A 212 2.190 -3.265 9.003 1.00 0.00 O ATOM 1705 CB LEU A 212 1.242 -3.167 6.286 1.00 0.00 C ATOM 1706 CG LEU A 212 0.908 -3.131 4.781 1.00 0.00 C ATOM 1707 CD1 LEU A 212 1.752 -4.110 3.973 1.00 0.00 C ATOM 1708 CD2 LEU A 212 -0.567 -3.428 4.577 1.00 0.00 C ATOM 0 H LEU A 212 3.005 -4.895 6.201 1.00 0.00 H new ATOM 0 HA LEU A 212 3.064 -2.029 6.122 1.00 0.00 H new ATOM 0 HB2 LEU A 212 0.969 -4.150 6.669 1.00 0.00 H new ATOM 0 HB3 LEU A 212 0.606 -2.440 6.791 1.00 0.00 H new ATOM 0 HG LEU A 212 1.142 -2.130 4.419 1.00 0.00 H new ATOM 0 HD11 LEU A 212 1.477 -4.045 2.920 1.00 0.00 H new ATOM 0 HD12 LEU A 212 2.807 -3.862 4.089 1.00 0.00 H new ATOM 0 HD13 LEU A 212 1.576 -5.124 4.332 1.00 0.00 H new ATOM 0 HD21 LEU A 212 -0.800 -3.402 3.512 1.00 0.00 H new ATOM 0 HD22 LEU A 212 -0.798 -4.416 4.975 1.00 0.00 H new ATOM 0 HD23 LEU A 212 -1.164 -2.679 5.097 1.00 0.00 H new ATOM 1720 N LYS A 213 3.525 -1.524 8.523 1.00 0.00 N ATOM 1721 CA LYS A 213 3.682 -1.125 9.917 1.00 0.00 C ATOM 1722 C LYS A 213 3.096 0.260 10.195 1.00 0.00 C ATOM 1723 O LYS A 213 2.244 0.411 11.073 1.00 0.00 O ATOM 1724 CB LYS A 213 5.157 -1.160 10.321 1.00 0.00 C ATOM 1725 CG LYS A 213 5.742 -2.560 10.371 1.00 0.00 C ATOM 1726 CD LYS A 213 7.178 -2.550 10.868 1.00 0.00 C ATOM 1727 CE LYS A 213 7.705 -3.962 11.055 1.00 0.00 C ATOM 1728 NZ LYS A 213 9.088 -3.975 11.597 1.00 0.00 N1+ ATOM 0 H LYS A 213 4.036 -0.944 7.858 1.00 0.00 H new ATOM 0 HA LYS A 213 3.124 -1.843 10.518 1.00 0.00 H new ATOM 0 HB2 LYS A 213 5.732 -0.560 9.616 1.00 0.00 H new ATOM 0 HB3 LYS A 213 5.268 -0.694 11.300 1.00 0.00 H new ATOM 0 HG2 LYS A 213 5.135 -3.185 11.025 1.00 0.00 H new ATOM 0 HG3 LYS A 213 5.704 -3.006 9.377 1.00 0.00 H new ATOM 0 HD2 LYS A 213 7.808 -2.015 10.157 1.00 0.00 H new ATOM 0 HD3 LYS A 213 7.235 -2.010 11.813 1.00 0.00 H new ATOM 0 HE2 LYS A 213 7.046 -4.508 11.730 1.00 0.00 H new ATOM 0 HE3 LYS A 213 7.686 -4.485 10.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 213 9.408 -4.958 11.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 213 9.723 -3.477 10.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 213 9.103 -3.499 12.522 1.00 0.00 H new ATOM 1742 N GLN A 214 3.546 1.268 9.452 1.00 0.00 N ATOM 1743 CA GLN A 214 3.153 2.651 9.727 1.00 0.00 C ATOM 1744 C GLN A 214 2.333 3.232 8.582 1.00 0.00 C ATOM 1745 O GLN A 214 2.705 3.102 7.424 1.00 0.00 O ATOM 1746 CB GLN A 214 4.379 3.546 9.948 1.00 0.00 C ATOM 1747 CG GLN A 214 5.351 3.045 11.012 1.00 0.00 C ATOM 1748 CD GLN A 214 6.471 2.168 10.466 1.00 0.00 C ATOM 1749 OE1 GLN A 214 6.921 1.244 11.138 1.00 0.00 O ATOM 1750 NE2 GLN A 214 6.970 2.475 9.274 1.00 0.00 N ATOM 0 H GLN A 214 4.179 1.157 8.660 1.00 0.00 H new ATOM 0 HA GLN A 214 2.549 2.628 10.634 1.00 0.00 H new ATOM 0 HB2 GLN A 214 4.915 3.645 9.004 1.00 0.00 H new ATOM 0 HB3 GLN A 214 4.038 4.543 10.227 1.00 0.00 H new ATOM 0 HG2 GLN A 214 5.791 3.903 11.520 1.00 0.00 H new ATOM 0 HG3 GLN A 214 4.795 2.481 11.761 1.00 0.00 H new ATOM 0 HE21 GLN A 214 6.575 3.248 8.739 1.00 0.00 H new ATOM 0 HE22 GLN A 214 7.749 1.937 8.893 1.00 0.00 H new ATOM 1759 N PRO A 215 1.207 3.885 8.886 1.00 0.00 N ATOM 1760 CA PRO A 215 0.405 4.573 7.875 1.00 0.00 C ATOM 1761 C PRO A 215 1.015 5.921 7.486 1.00 0.00 C ATOM 1762 O PRO A 215 1.410 6.705 8.352 1.00 0.00 O ATOM 1763 CB PRO A 215 -0.937 4.769 8.575 1.00 0.00 C ATOM 1764 CG PRO A 215 -0.604 4.855 10.026 1.00 0.00 C ATOM 1765 CD PRO A 215 0.617 3.997 10.235 1.00 0.00 C ATOM 0 HA PRO A 215 0.334 4.012 6.943 1.00 0.00 H new ATOM 0 HB2 PRO A 215 -1.434 5.675 8.229 1.00 0.00 H new ATOM 0 HB3 PRO A 215 -1.613 3.938 8.373 1.00 0.00 H new ATOM 0 HG2 PRO A 215 -0.408 5.887 10.319 1.00 0.00 H new ATOM 0 HG3 PRO A 215 -1.435 4.503 10.637 1.00 0.00 H new ATOM 0 HD2 PRO A 215 1.312 4.456 10.938 1.00 0.00 H new ATOM 0 HD3 PRO A 215 0.354 3.019 10.639 1.00 0.00 H new ATOM 1773 N LEU A 216 1.109 6.185 6.186 1.00 0.00 N ATOM 1774 CA LEU A 216 1.639 7.458 5.708 1.00 0.00 C ATOM 1775 C LEU A 216 0.565 8.534 5.819 1.00 0.00 C ATOM 1776 O LEU A 216 -0.348 8.595 4.992 1.00 0.00 O ATOM 1777 CB LEU A 216 2.100 7.348 4.246 1.00 0.00 C ATOM 1778 CG LEU A 216 3.378 8.127 3.873 1.00 0.00 C ATOM 1779 CD1 LEU A 216 3.545 8.189 2.372 1.00 0.00 C ATOM 1780 CD2 LEU A 216 3.382 9.535 4.424 1.00 0.00 C ATOM 0 H LEU A 216 0.827 5.539 5.449 1.00 0.00 H new ATOM 0 HA LEU A 216 2.498 7.724 6.324 1.00 0.00 H new ATOM 0 HB2 LEU A 216 2.262 6.295 4.016 1.00 0.00 H new ATOM 0 HB3 LEU A 216 1.289 7.693 3.604 1.00 0.00 H new ATOM 0 HG LEU A 216 4.209 7.584 4.323 1.00 0.00 H new ATOM 0 HD11 LEU A 216 4.452 8.743 2.129 1.00 0.00 H new ATOM 0 HD12 LEU A 216 3.619 7.178 1.972 1.00 0.00 H new ATOM 0 HD13 LEU A 216 2.684 8.692 1.931 1.00 0.00 H new ATOM 0 HD21 LEU A 216 4.304 10.038 4.132 1.00 0.00 H new ATOM 0 HD22 LEU A 216 2.528 10.084 4.027 1.00 0.00 H new ATOM 0 HD23 LEU A 216 3.317 9.500 5.512 1.00 0.00 H new ATOM 1792 N ASN A 217 0.674 9.367 6.845 1.00 0.00 N ATOM 1793 CA ASN A 217 -0.263 10.464 7.055 1.00 0.00 C ATOM 1794 C ASN A 217 -0.283 11.394 5.848 1.00 0.00 C ATOM 1795 O ASN A 217 0.758 11.673 5.248 1.00 0.00 O ATOM 1796 CB ASN A 217 0.116 11.256 8.310 1.00 0.00 C ATOM 1797 CG ASN A 217 -0.130 10.485 9.593 1.00 0.00 C ATOM 1798 OD1 ASN A 217 0.734 9.744 10.066 1.00 0.00 O ATOM 1799 ND2 ASN A 217 -1.306 10.667 10.175 1.00 0.00 N ATOM 0 H ASN A 217 1.408 9.303 7.550 1.00 0.00 H new ATOM 0 HA ASN A 217 -1.258 10.039 7.187 1.00 0.00 H new ATOM 0 HB2 ASN A 217 1.169 11.532 8.255 1.00 0.00 H new ATOM 0 HB3 ASN A 217 -0.456 12.184 8.334 1.00 0.00 H new ATOM 0 HD21 ASN A 217 -1.523 10.185 11.047 1.00 0.00 H new ATOM 0 HD22 ASN A 217 -1.994 11.289 9.751 1.00 0.00 H new ATOM 1806 N THR A 218 -1.472 11.859 5.490 1.00 0.00 N ATOM 1807 CA THR A 218 -1.645 12.739 4.346 1.00 0.00 C ATOM 1808 C THR A 218 -0.904 14.053 4.535 1.00 0.00 C ATOM 1809 O THR A 218 -1.089 14.756 5.531 1.00 0.00 O ATOM 1810 CB THR A 218 -3.133 13.022 4.089 1.00 0.00 C ATOM 1811 OG1 THR A 218 -3.837 13.112 5.338 1.00 0.00 O ATOM 1812 CG2 THR A 218 -3.749 11.936 3.223 1.00 0.00 C ATOM 0 H THR A 218 -2.338 11.638 5.982 1.00 0.00 H new ATOM 0 HA THR A 218 -1.224 12.224 3.482 1.00 0.00 H new ATOM 0 HB THR A 218 -3.216 13.971 3.559 1.00 0.00 H new ATOM 0 HG1 THR A 218 -4.785 13.294 5.167 1.00 0.00 H new ATOM 0 HG21 THR A 218 -4.803 12.159 3.055 1.00 0.00 H new ATOM 0 HG22 THR A 218 -3.230 11.896 2.266 1.00 0.00 H new ATOM 0 HG23 THR A 218 -3.657 10.974 3.726 1.00 0.00 H new ATOM 1820 N THR A 219 -0.063 14.372 3.571 1.00 0.00 N ATOM 1821 CA THR A 219 0.720 15.587 3.603 1.00 0.00 C ATOM 1822 C THR A 219 0.357 16.474 2.420 1.00 0.00 C ATOM 1823 O THR A 219 0.530 16.089 1.264 1.00 0.00 O ATOM 1824 CB THR A 219 2.233 15.268 3.598 1.00 0.00 C ATOM 1825 OG1 THR A 219 3.001 16.441 3.298 1.00 0.00 O ATOM 1826 CG2 THR A 219 2.554 14.166 2.601 1.00 0.00 C ATOM 0 H THR A 219 0.095 13.795 2.745 1.00 0.00 H new ATOM 0 HA THR A 219 0.492 16.121 4.526 1.00 0.00 H new ATOM 0 HB THR A 219 2.501 14.921 4.596 1.00 0.00 H new ATOM 0 HG1 THR A 219 3.604 16.637 4.045 1.00 0.00 H new ATOM 0 HG21 THR A 219 3.624 13.961 2.617 1.00 0.00 H new ATOM 0 HG22 THR A 219 2.007 13.262 2.869 1.00 0.00 H new ATOM 0 HG23 THR A 219 2.261 14.484 1.600 1.00 0.00 H new ATOM 1947 N ALA B 1 2.432 -5.301 -6.877 1.00 0.00 N ATOM 1948 CA ALA B 1 2.826 -6.582 -6.286 1.00 0.00 C ATOM 1949 C ALA B 1 1.837 -7.704 -6.577 1.00 0.00 C ATOM 1950 O ALA B 1 0.621 -7.512 -6.581 1.00 0.00 O ATOM 1951 CB ALA B 1 3.001 -6.417 -4.776 1.00 0.00 C ATOM 0 H1 ALA B 1 3.257 -4.860 -7.331 1.00 0.00 H new ATOM 0 H2 ALA B 1 1.690 -5.460 -7.588 1.00 0.00 H new ATOM 0 H3 ALA B 1 2.069 -4.672 -6.132 1.00 0.00 H new ATOM 0 HA ALA B 1 3.770 -6.871 -6.748 1.00 0.00 H new ATOM 0 HB1 ALA B 1 3.294 -7.371 -4.337 1.00 0.00 H new ATOM 0 HB2 ALA B 1 3.774 -5.674 -4.578 1.00 0.00 H new ATOM 0 HB3 ALA B 1 2.060 -6.088 -4.334 1.00 0.00 H new ATOM 1957 N THR B 2 2.399 -8.885 -6.813 1.00 0.00 N ATOM 1958 CA THR B 2 1.629 -10.084 -7.119 1.00 0.00 C ATOM 1959 C THR B 2 0.924 -10.630 -5.877 1.00 0.00 C ATOM 1960 O THR B 2 -0.263 -10.951 -5.927 1.00 0.00 O ATOM 1961 CB THR B 2 2.557 -11.173 -7.689 1.00 0.00 C ATOM 1962 OG1 THR B 2 3.244 -10.671 -8.840 1.00 0.00 O ATOM 1963 CG2 THR B 2 1.775 -12.421 -8.061 1.00 0.00 C ATOM 0 H THR B 2 3.407 -9.037 -6.797 1.00 0.00 H new ATOM 0 HA THR B 2 0.873 -9.811 -7.855 1.00 0.00 H new ATOM 0 HB THR B 2 3.280 -11.441 -6.919 1.00 0.00 H new ATOM 0 HG1 THR B 2 3.834 -11.367 -9.198 1.00 0.00 H new ATOM 0 HG21 THR B 2 2.457 -13.172 -8.460 1.00 0.00 H new ATOM 0 HG22 THR B 2 1.278 -12.817 -7.175 1.00 0.00 H new ATOM 0 HG23 THR B 2 1.028 -12.171 -8.815 1.00 0.00 H new ATOM 1971 N ILE B 3 1.668 -10.728 -4.776 1.00 0.00 N ATOM 1972 CA ILE B 3 1.151 -11.221 -3.502 1.00 0.00 C ATOM 1973 C ILE B 3 0.772 -12.701 -3.582 1.00 0.00 C ATOM 1974 O ILE B 3 -0.250 -13.068 -4.166 1.00 0.00 O ATOM 1975 CB ILE B 3 -0.071 -10.427 -2.997 1.00 0.00 C ATOM 1976 CG1 ILE B 3 0.115 -8.918 -3.206 1.00 0.00 C ATOM 1977 CG2 ILE B 3 -0.275 -10.730 -1.525 1.00 0.00 C ATOM 1978 CD1 ILE B 3 1.122 -8.285 -2.275 1.00 0.00 C ATOM 0 H ILE B 3 2.653 -10.465 -4.744 1.00 0.00 H new ATOM 0 HA ILE B 3 1.967 -11.084 -2.792 1.00 0.00 H new ATOM 0 HB ILE B 3 -0.949 -10.730 -3.568 1.00 0.00 H new ATOM 0 HG12 ILE B 3 0.426 -8.741 -4.235 1.00 0.00 H new ATOM 0 HG13 ILE B 3 -0.847 -8.423 -3.074 1.00 0.00 H new ATOM 0 HG21 ILE B 3 -1.137 -10.174 -1.155 1.00 0.00 H new ATOM 0 HG22 ILE B 3 -0.448 -11.798 -1.394 1.00 0.00 H new ATOM 0 HG23 ILE B 3 0.613 -10.436 -0.966 1.00 0.00 H new ATOM 0 HD11 ILE B 3 1.194 -7.218 -2.488 1.00 0.00 H new ATOM 0 HD12 ILE B 3 0.803 -8.428 -1.243 1.00 0.00 H new ATOM 0 HD13 ILE B 3 2.096 -8.751 -2.422 1.00 0.00 H new ATOM 1990 N VAL B 4 1.605 -13.543 -2.992 1.00 0.00 N ATOM 1991 CA VAL B 4 1.338 -14.970 -2.894 1.00 0.00 C ATOM 1992 C VAL B 4 1.521 -15.444 -1.463 1.00 0.00 C ATOM 1993 O VAL B 4 2.606 -15.877 -1.071 1.00 0.00 O ATOM 1994 CB VAL B 4 2.238 -15.815 -3.819 1.00 0.00 C ATOM 1995 CG1 VAL B 4 1.666 -15.876 -5.219 1.00 0.00 C ATOM 1996 CG2 VAL B 4 3.651 -15.266 -3.854 1.00 0.00 C ATOM 0 H VAL B 4 2.487 -13.256 -2.567 1.00 0.00 H new ATOM 0 HA VAL B 4 0.306 -15.111 -3.214 1.00 0.00 H new ATOM 0 HB VAL B 4 2.272 -16.826 -3.414 1.00 0.00 H new ATOM 0 HG11 VAL B 4 2.318 -16.477 -5.853 1.00 0.00 H new ATOM 0 HG12 VAL B 4 0.674 -16.327 -5.187 1.00 0.00 H new ATOM 0 HG13 VAL B 4 1.593 -14.868 -5.627 1.00 0.00 H new ATOM 0 HG21 VAL B 4 4.264 -15.881 -4.513 1.00 0.00 H new ATOM 0 HG22 VAL B 4 3.634 -14.241 -4.225 1.00 0.00 H new ATOM 0 HG23 VAL B 4 4.072 -15.281 -2.849 1.00 0.00 H new