USER MOD reduce.3.24.130724 H: found=0, std=0, add=849, rem=0, adj=30 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 132 HIS : no HE2:sc= 0.622 K(o=0.62,f=-3.9!) USER MOD Set 1.2: A 211 GLN : amide:sc= 0 X(o=0.62,f=0.62) USER MOD Set 2.1: A 196 HIS : no HD1:sc= -0.129 X(o=-0.3,f=-0.3) USER MOD Set 2.2: A 200 ASN : amide:sc= -0.169 K(o=-0.3,f=-1.1) USER MOD Set 3.1: A 153 THR OG1 : rot 180:sc= 0.0205 USER MOD Set 3.2: A 168 THR OG1 : rot -90:sc= -0.753 USER MOD Set 4.1: A 150 SER OG : rot -126:sc= 1.34 USER MOD Set 4.2: A 169 HIS : no HD1:sc= 1.43 K(o=2.8,f=-9.6!) USER MOD Set 5.1: A 134 SER OG : rot -50:sc= 1.81 USER MOD Set 5.2: A 214 GLN :FLIP amide:sc= -0.133 F(o=-1.1,f=1.7) USER MOD Set 6.1: A 118 SER OG : rot 180:sc= -0.0215 USER MOD Set 6.2: A 141 GLN : amide:sc= -0.448 K(o=-0.47,f=-1.8) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0.00222 USER MOD Single : A 114 HIS : no HD1:sc= 0.309 K(o=0.31,f=-4.6!) USER MOD Single : A 116 HIS : no HD1:sc= 0 X(o=0,f=-0.0053) USER MOD Single : A 120 LYS NZ :NH3+ -165:sc= -0.0365 (180deg=-0.251) USER MOD Single : A 124 LYS NZ :NH3+ -131:sc= -0.0387 (180deg=-0.284) USER MOD Single : A 127 THR OG1 : rot 90:sc= 1.19 USER MOD Single : A 129 LYS NZ :NH3+ -162:sc= -0.114 (180deg=-0.455) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 SER OG : rot 160:sc= 0.545 USER MOD Single : A 142 SER OG : rot 180:sc= 0 USER MOD Single : A 143 HIS : no HE2:sc= 0.518 K(o=0.52,f=-5.3!) USER MOD Single : A 166 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 171 MET CE :methyl 164:sc= -0.0936 (180deg=-0.482) USER MOD Single : A 174 CYS SG : rot 110:sc= 0.49 USER MOD Single : A 175 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 178 LYS NZ :NH3+ -140:sc= 1.22 (180deg=0.683) USER MOD Single : A 179 TYR OH : rot 150:sc= 0 USER MOD Single : A 189 SER OG : rot 120:sc= 1.2 USER MOD Single : A 191 THR OG1 : rot -34:sc= 0.275 USER MOD Single : A 197 TYR OH : rot -117:sc= 1.53 USER MOD Single : A 198 LYS NZ :NH3+ 177:sc= 1.19 (180deg=1.1) USER MOD Single : A 199 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 202 MET CE :methyl 180:sc= -4.46! (180deg=-4.46!) USER MOD Single : A 205 THR OG1 : rot -25:sc= 0.12 USER MOD Single : A 208 THR OG1 : rot 180:sc= 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 39:sc= 0.38 USER MOD Single : A 219 THR OG1 : rot 180:sc= 0 USER MOD Single : B 1 ALA N :NH3+ -130:sc= 1.1 (180deg=-0.387) USER MOD Single : B 2 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 63 N PRO A 107 -14.971 4.466 3.686 1.00 0.00 N ATOM 64 CA PRO A 107 -13.953 3.729 4.432 1.00 0.00 C ATOM 65 C PRO A 107 -12.568 4.287 4.178 1.00 0.00 C ATOM 66 O PRO A 107 -11.586 3.874 4.794 1.00 0.00 O ATOM 67 CB PRO A 107 -14.052 2.297 3.886 1.00 0.00 C ATOM 68 CG PRO A 107 -15.164 2.301 2.881 1.00 0.00 C ATOM 69 CD PRO A 107 -15.383 3.732 2.486 1.00 0.00 C ATOM 0 HA PRO A 107 -14.113 3.791 5.508 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -13.113 1.992 3.424 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -14.257 1.589 4.689 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -14.903 1.695 2.013 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -16.072 1.874 3.307 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -14.785 4.008 1.618 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -16.425 3.926 2.231 1.00 0.00 H new ATOM 77 N THR A 108 -12.502 5.214 3.245 1.00 0.00 N ATOM 78 CA THR A 108 -11.249 5.782 2.825 1.00 0.00 C ATOM 79 C THR A 108 -11.016 7.145 3.475 1.00 0.00 C ATOM 80 O THR A 108 -10.045 7.830 3.177 1.00 0.00 O ATOM 81 CB THR A 108 -11.210 5.890 1.290 1.00 0.00 C ATOM 82 OG1 THR A 108 -12.356 6.605 0.805 1.00 0.00 O ATOM 83 CG2 THR A 108 -11.192 4.502 0.666 1.00 0.00 C ATOM 0 H THR A 108 -13.317 5.591 2.761 1.00 0.00 H new ATOM 0 HA THR A 108 -10.444 5.123 3.150 1.00 0.00 H new ATOM 0 HB THR A 108 -10.305 6.430 1.012 1.00 0.00 H new ATOM 0 HG1 THR A 108 -12.314 6.666 -0.172 1.00 0.00 H new ATOM 0 HG21 THR A 108 -11.164 4.592 -0.420 1.00 0.00 H new ATOM 0 HG22 THR A 108 -10.310 3.961 1.008 1.00 0.00 H new ATOM 0 HG23 THR A 108 -12.089 3.958 0.963 1.00 0.00 H new ATOM 91 N SER A 109 -11.901 7.522 4.391 1.00 0.00 N ATOM 92 CA SER A 109 -11.789 8.803 5.079 1.00 0.00 C ATOM 93 C SER A 109 -10.735 8.742 6.190 1.00 0.00 C ATOM 94 O SER A 109 -10.952 9.222 7.304 1.00 0.00 O ATOM 95 CB SER A 109 -13.152 9.210 5.646 1.00 0.00 C ATOM 96 OG SER A 109 -13.720 8.165 6.423 1.00 0.00 O ATOM 0 H SER A 109 -12.703 6.959 4.674 1.00 0.00 H new ATOM 0 HA SER A 109 -11.467 9.556 4.360 1.00 0.00 H new ATOM 0 HB2 SER A 109 -13.041 10.104 6.260 1.00 0.00 H new ATOM 0 HB3 SER A 109 -13.826 9.467 4.829 1.00 0.00 H new ATOM 0 HG SER A 109 -14.589 8.453 6.774 1.00 0.00 H new ATOM 102 N GLU A 110 -9.589 8.158 5.861 1.00 0.00 N ATOM 103 CA GLU A 110 -8.495 7.979 6.802 1.00 0.00 C ATOM 104 C GLU A 110 -7.212 8.573 6.226 1.00 0.00 C ATOM 105 O GLU A 110 -7.150 8.896 5.040 1.00 0.00 O ATOM 106 CB GLU A 110 -8.301 6.493 7.103 1.00 0.00 C ATOM 107 CG GLU A 110 -9.424 5.875 7.925 1.00 0.00 C ATOM 108 CD GLU A 110 -9.519 6.469 9.316 1.00 0.00 C ATOM 109 OE1 GLU A 110 -8.586 6.265 10.117 1.00 0.00 O ATOM 110 OE2 GLU A 110 -10.527 7.135 9.621 1.00 0.00 O1- ATOM 0 H GLU A 110 -9.394 7.794 4.928 1.00 0.00 H new ATOM 0 HA GLU A 110 -8.736 8.495 7.731 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -8.213 5.951 6.162 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -7.359 6.361 7.636 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -10.372 6.019 7.406 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -9.264 4.800 8.003 1.00 0.00 H new ATOM 117 N ARG A 111 -6.191 8.697 7.068 1.00 0.00 N ATOM 118 CA ARG A 111 -4.983 9.440 6.712 1.00 0.00 C ATOM 119 C ARG A 111 -3.993 8.616 5.896 1.00 0.00 C ATOM 120 O ARG A 111 -3.068 9.172 5.305 1.00 0.00 O ATOM 121 CB ARG A 111 -4.298 9.972 7.969 1.00 0.00 C ATOM 122 CG ARG A 111 -5.131 10.991 8.726 1.00 0.00 C ATOM 123 CD ARG A 111 -5.574 12.127 7.820 1.00 0.00 C ATOM 124 NE ARG A 111 -6.159 13.231 8.572 1.00 0.00 N ATOM 125 CZ ARG A 111 -5.949 14.514 8.288 1.00 0.00 C ATOM 126 NH1 ARG A 111 -5.209 14.853 7.239 1.00 0.00 N1+ ATOM 127 NH2 ARG A 111 -6.484 15.458 9.047 1.00 0.00 N ATOM 0 H ARG A 111 -6.174 8.292 8.004 1.00 0.00 H new ATOM 0 HA ARG A 111 -5.305 10.270 6.082 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -4.071 9.136 8.631 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -3.347 10.426 7.691 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -6.006 10.502 9.154 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -4.551 11.392 9.558 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -4.719 12.490 7.250 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -6.302 11.753 7.100 1.00 0.00 H new ATOM 0 HE ARG A 111 -6.764 13.007 9.362 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -4.800 14.129 6.648 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -5.050 15.837 7.024 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -7.058 15.202 9.850 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -6.322 16.441 8.828 1.00 0.00 H new ATOM 141 N TRP A 112 -4.170 7.304 5.865 1.00 0.00 N ATOM 142 CA TRP A 112 -3.318 6.462 5.033 1.00 0.00 C ATOM 143 C TRP A 112 -3.859 6.403 3.615 1.00 0.00 C ATOM 144 O TRP A 112 -3.148 6.048 2.682 1.00 0.00 O ATOM 145 CB TRP A 112 -3.160 5.054 5.615 1.00 0.00 C ATOM 146 CG TRP A 112 -4.335 4.572 6.413 1.00 0.00 C ATOM 147 CD1 TRP A 112 -4.477 4.621 7.770 1.00 0.00 C ATOM 148 CD2 TRP A 112 -5.523 3.961 5.908 1.00 0.00 C ATOM 149 NE1 TRP A 112 -5.683 4.080 8.136 1.00 0.00 N ATOM 150 CE2 TRP A 112 -6.343 3.667 7.012 1.00 0.00 C ATOM 151 CE3 TRP A 112 -5.975 3.635 4.631 1.00 0.00 C ATOM 152 CZ2 TRP A 112 -7.586 3.064 6.873 1.00 0.00 C ATOM 153 CZ3 TRP A 112 -7.210 3.035 4.494 1.00 0.00 C ATOM 154 CH2 TRP A 112 -8.004 2.757 5.608 1.00 0.00 C ATOM 0 H TRP A 112 -4.883 6.804 6.396 1.00 0.00 H new ATOM 0 HA TRP A 112 -2.326 6.913 5.013 1.00 0.00 H new ATOM 0 HB2 TRP A 112 -2.982 4.355 4.798 1.00 0.00 H new ATOM 0 HB3 TRP A 112 -2.274 5.035 6.250 1.00 0.00 H new ATOM 0 HD1 TRP A 112 -3.747 5.026 8.455 1.00 0.00 H new ATOM 0 HE1 TRP A 112 -6.031 3.999 9.091 1.00 0.00 H new ATOM 0 HE3 TRP A 112 -5.369 3.848 3.763 1.00 0.00 H new ATOM 0 HZ2 TRP A 112 -8.201 2.845 7.734 1.00 0.00 H new ATOM 0 HZ3 TRP A 112 -7.568 2.776 3.509 1.00 0.00 H new ATOM 0 HH2 TRP A 112 -8.968 2.290 5.468 1.00 0.00 H new ATOM 165 N PHE A 113 -5.123 6.755 3.464 1.00 0.00 N ATOM 166 CA PHE A 113 -5.727 6.880 2.154 1.00 0.00 C ATOM 167 C PHE A 113 -5.329 8.201 1.516 1.00 0.00 C ATOM 168 O PHE A 113 -5.613 9.273 2.044 1.00 0.00 O ATOM 169 CB PHE A 113 -7.247 6.790 2.259 1.00 0.00 C ATOM 170 CG PHE A 113 -7.967 7.021 0.958 1.00 0.00 C ATOM 171 CD1 PHE A 113 -8.074 6.010 0.022 1.00 0.00 C ATOM 172 CD2 PHE A 113 -8.558 8.244 0.682 1.00 0.00 C ATOM 173 CE1 PHE A 113 -8.757 6.208 -1.158 1.00 0.00 C ATOM 174 CE2 PHE A 113 -9.240 8.451 -0.500 1.00 0.00 C ATOM 175 CZ PHE A 113 -9.342 7.429 -1.420 1.00 0.00 C ATOM 0 H PHE A 113 -5.753 6.960 4.239 1.00 0.00 H new ATOM 0 HA PHE A 113 -5.369 6.062 1.528 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -7.516 5.805 2.641 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -7.594 7.521 2.989 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -7.616 5.052 0.218 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -8.484 9.046 1.402 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -8.834 5.407 -1.878 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -9.692 9.410 -0.704 1.00 0.00 H new ATOM 0 HZ PHE A 113 -9.879 7.584 -2.344 1.00 0.00 H new ATOM 185 N HIS A 114 -4.645 8.109 0.396 1.00 0.00 N ATOM 186 CA HIS A 114 -4.287 9.278 -0.386 1.00 0.00 C ATOM 187 C HIS A 114 -5.007 9.191 -1.726 1.00 0.00 C ATOM 188 O HIS A 114 -4.733 8.300 -2.525 1.00 0.00 O ATOM 189 CB HIS A 114 -2.771 9.340 -0.605 1.00 0.00 C ATOM 190 CG HIS A 114 -1.944 9.529 0.639 1.00 0.00 C ATOM 191 ND1 HIS A 114 -0.840 10.359 0.686 1.00 0.00 N ATOM 192 CD2 HIS A 114 -2.017 8.945 1.861 1.00 0.00 C ATOM 193 CE1 HIS A 114 -0.270 10.269 1.873 1.00 0.00 C ATOM 194 NE2 HIS A 114 -0.965 9.421 2.605 1.00 0.00 N ATOM 0 H HIS A 114 -4.321 7.226 0.001 1.00 0.00 H new ATOM 0 HA HIS A 114 -4.584 10.182 0.146 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -2.454 8.419 -1.095 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -2.554 10.158 -1.292 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -2.764 8.237 2.188 1.00 0.00 H new ATOM 0 HE1 HIS A 114 0.615 10.800 2.191 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -0.755 9.160 3.569 1.00 0.00 H new ATOM 203 N GLY A 115 -5.938 10.110 -1.949 1.00 0.00 N ATOM 204 CA GLY A 115 -6.785 10.055 -3.129 1.00 0.00 C ATOM 205 C GLY A 115 -6.026 10.221 -4.431 1.00 0.00 C ATOM 206 O GLY A 115 -5.842 9.262 -5.179 1.00 0.00 O ATOM 0 H GLY A 115 -6.124 10.899 -1.330 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -7.311 9.100 -3.144 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -7.543 10.835 -3.058 1.00 0.00 H new ATOM 210 N HIS A 116 -5.579 11.436 -4.705 1.00 0.00 N ATOM 211 CA HIS A 116 -4.941 11.737 -5.979 1.00 0.00 C ATOM 212 C HIS A 116 -3.459 11.379 -5.946 1.00 0.00 C ATOM 213 O HIS A 116 -2.619 12.204 -5.582 1.00 0.00 O ATOM 214 CB HIS A 116 -5.125 13.219 -6.330 1.00 0.00 C ATOM 215 CG HIS A 116 -4.662 13.578 -7.713 1.00 0.00 C ATOM 216 ND1 HIS A 116 -3.497 14.273 -7.967 1.00 0.00 N ATOM 217 CD2 HIS A 116 -5.227 13.347 -8.922 1.00 0.00 C ATOM 218 CE1 HIS A 116 -3.369 14.454 -9.268 1.00 0.00 C ATOM 219 NE2 HIS A 116 -4.404 13.901 -9.870 1.00 0.00 N ATOM 0 H HIS A 116 -5.645 12.228 -4.066 1.00 0.00 H new ATOM 0 HA HIS A 116 -5.418 11.132 -6.749 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -6.179 13.478 -6.232 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -4.580 13.824 -5.606 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -6.154 12.824 -9.106 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -2.555 14.968 -9.757 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -4.566 13.887 -10.877 1.00 0.00 H new ATOM 228 N LEU A 117 -3.150 10.143 -6.310 1.00 0.00 N ATOM 229 CA LEU A 117 -1.769 9.694 -6.435 1.00 0.00 C ATOM 230 C LEU A 117 -1.623 8.727 -7.597 1.00 0.00 C ATOM 231 O LEU A 117 -2.468 7.856 -7.800 1.00 0.00 O ATOM 232 CB LEU A 117 -1.278 8.996 -5.161 1.00 0.00 C ATOM 233 CG LEU A 117 -0.905 9.900 -3.984 1.00 0.00 C ATOM 234 CD1 LEU A 117 -0.378 9.060 -2.835 1.00 0.00 C ATOM 235 CD2 LEU A 117 0.138 10.927 -4.390 1.00 0.00 C ATOM 0 H LEU A 117 -3.843 9.427 -6.526 1.00 0.00 H new ATOM 0 HA LEU A 117 -1.165 10.585 -6.607 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -2.055 8.308 -4.829 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -0.407 8.393 -5.417 1.00 0.00 H new ATOM 0 HG LEU A 117 -1.802 10.432 -3.667 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -0.114 9.710 -2.000 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -1.146 8.355 -2.517 1.00 0.00 H new ATOM 0 HD13 LEU A 117 0.506 8.511 -3.161 1.00 0.00 H new ATOM 0 HD21 LEU A 117 0.383 11.555 -3.533 1.00 0.00 H new ATOM 0 HD22 LEU A 117 1.037 10.416 -4.734 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -0.257 11.548 -5.194 1.00 0.00 H new ATOM 247 N SER A 118 -0.561 8.900 -8.363 1.00 0.00 N ATOM 248 CA SER A 118 -0.171 7.932 -9.369 1.00 0.00 C ATOM 249 C SER A 118 0.979 7.091 -8.817 1.00 0.00 C ATOM 250 O SER A 118 1.475 7.372 -7.721 1.00 0.00 O ATOM 251 CB SER A 118 0.233 8.642 -10.665 1.00 0.00 C ATOM 252 OG SER A 118 0.429 7.717 -11.725 1.00 0.00 O ATOM 0 H SER A 118 0.053 9.713 -8.305 1.00 0.00 H new ATOM 0 HA SER A 118 -1.011 7.279 -9.604 1.00 0.00 H new ATOM 0 HB2 SER A 118 -0.539 9.359 -10.944 1.00 0.00 H new ATOM 0 HB3 SER A 118 1.150 9.208 -10.501 1.00 0.00 H new ATOM 0 HG SER A 118 0.684 8.201 -12.538 1.00 0.00 H new ATOM 258 N GLY A 119 1.383 6.060 -9.555 1.00 0.00 N ATOM 259 CA GLY A 119 2.431 5.161 -9.097 1.00 0.00 C ATOM 260 C GLY A 119 3.682 5.875 -8.609 1.00 0.00 C ATOM 261 O GLY A 119 4.123 5.647 -7.482 1.00 0.00 O ATOM 0 H GLY A 119 0.999 5.829 -10.471 1.00 0.00 H new ATOM 0 HA2 GLY A 119 2.039 4.542 -8.290 1.00 0.00 H new ATOM 0 HA3 GLY A 119 2.702 4.489 -9.911 1.00 0.00 H new ATOM 265 N LYS A 120 4.234 6.760 -9.430 1.00 0.00 N ATOM 266 CA LYS A 120 5.477 7.452 -9.087 1.00 0.00 C ATOM 267 C LYS A 120 5.233 8.545 -8.052 1.00 0.00 C ATOM 268 O LYS A 120 6.133 8.913 -7.297 1.00 0.00 O ATOM 269 CB LYS A 120 6.141 8.058 -10.333 1.00 0.00 C ATOM 270 CG LYS A 120 6.815 7.041 -11.250 1.00 0.00 C ATOM 271 CD LYS A 120 5.813 6.112 -11.919 1.00 0.00 C ATOM 272 CE LYS A 120 6.491 5.172 -12.901 1.00 0.00 C ATOM 273 NZ LYS A 120 7.123 5.909 -14.029 1.00 0.00 N1+ ATOM 0 H LYS A 120 3.844 7.017 -10.337 1.00 0.00 H new ATOM 0 HA LYS A 120 6.150 6.708 -8.660 1.00 0.00 H new ATOM 0 HB2 LYS A 120 5.387 8.599 -10.904 1.00 0.00 H new ATOM 0 HB3 LYS A 120 6.884 8.789 -10.014 1.00 0.00 H new ATOM 0 HG2 LYS A 120 7.386 7.567 -12.015 1.00 0.00 H new ATOM 0 HG3 LYS A 120 7.526 6.450 -10.673 1.00 0.00 H new ATOM 0 HD2 LYS A 120 5.291 5.530 -11.159 1.00 0.00 H new ATOM 0 HD3 LYS A 120 5.060 6.703 -12.441 1.00 0.00 H new ATOM 0 HE2 LYS A 120 7.249 4.587 -12.380 1.00 0.00 H new ATOM 0 HE3 LYS A 120 5.758 4.467 -13.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 7.348 5.243 -14.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 6.466 6.634 -14.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 7.997 6.366 -13.699 1.00 0.00 H new ATOM 287 N GLU A 121 4.013 9.061 -8.013 1.00 0.00 N ATOM 288 CA GLU A 121 3.653 10.082 -7.037 1.00 0.00 C ATOM 289 C GLU A 121 3.601 9.472 -5.643 1.00 0.00 C ATOM 290 O GLU A 121 4.171 10.007 -4.692 1.00 0.00 O ATOM 291 CB GLU A 121 2.300 10.702 -7.390 1.00 0.00 C ATOM 292 CG GLU A 121 2.265 11.342 -8.766 1.00 0.00 C ATOM 293 CD GLU A 121 3.305 12.429 -8.929 1.00 0.00 C ATOM 294 OE1 GLU A 121 4.340 12.174 -9.580 1.00 0.00 O ATOM 295 OE2 GLU A 121 3.097 13.541 -8.398 1.00 0.00 O1- ATOM 0 H GLU A 121 3.257 8.791 -8.643 1.00 0.00 H new ATOM 0 HA GLU A 121 4.410 10.866 -7.054 1.00 0.00 H new ATOM 0 HB2 GLU A 121 1.532 9.931 -7.338 1.00 0.00 H new ATOM 0 HB3 GLU A 121 2.048 11.454 -6.642 1.00 0.00 H new ATOM 0 HG2 GLU A 121 2.425 10.575 -9.524 1.00 0.00 H new ATOM 0 HG3 GLU A 121 1.275 11.762 -8.942 1.00 0.00 H new ATOM 302 N ALA A 122 2.934 8.330 -5.544 1.00 0.00 N ATOM 303 CA ALA A 122 2.842 7.588 -4.295 1.00 0.00 C ATOM 304 C ALA A 122 4.200 7.041 -3.898 1.00 0.00 C ATOM 305 O ALA A 122 4.523 6.930 -2.716 1.00 0.00 O ATOM 306 CB ALA A 122 1.846 6.457 -4.437 1.00 0.00 C ATOM 0 H ALA A 122 2.443 7.894 -6.324 1.00 0.00 H new ATOM 0 HA ALA A 122 2.501 8.266 -3.513 1.00 0.00 H new ATOM 0 HB1 ALA A 122 1.784 5.907 -3.498 1.00 0.00 H new ATOM 0 HB2 ALA A 122 0.866 6.864 -4.685 1.00 0.00 H new ATOM 0 HB3 ALA A 122 2.170 5.784 -5.231 1.00 0.00 H new ATOM 312 N GLU A 123 4.980 6.680 -4.902 1.00 0.00 N ATOM 313 CA GLU A 123 6.324 6.179 -4.690 1.00 0.00 C ATOM 314 C GLU A 123 7.174 7.248 -4.016 1.00 0.00 C ATOM 315 O GLU A 123 7.823 6.991 -3.002 1.00 0.00 O ATOM 316 CB GLU A 123 6.930 5.762 -6.028 1.00 0.00 C ATOM 317 CG GLU A 123 7.563 4.385 -6.006 1.00 0.00 C ATOM 318 CD GLU A 123 7.699 3.792 -7.390 1.00 0.00 C ATOM 319 OE1 GLU A 123 8.672 4.129 -8.097 1.00 0.00 O ATOM 320 OE2 GLU A 123 6.824 2.982 -7.773 1.00 0.00 O1- ATOM 0 H GLU A 123 4.700 6.726 -5.882 1.00 0.00 H new ATOM 0 HA GLU A 123 6.292 5.307 -4.037 1.00 0.00 H new ATOM 0 HB2 GLU A 123 6.152 5.783 -6.792 1.00 0.00 H new ATOM 0 HB3 GLU A 123 7.683 6.494 -6.320 1.00 0.00 H new ATOM 0 HG2 GLU A 123 8.547 4.448 -5.542 1.00 0.00 H new ATOM 0 HG3 GLU A 123 6.960 3.721 -5.386 1.00 0.00 H new ATOM 327 N LYS A 124 7.130 8.457 -4.565 1.00 0.00 N ATOM 328 CA LYS A 124 7.862 9.588 -4.009 1.00 0.00 C ATOM 329 C LYS A 124 7.419 9.871 -2.573 1.00 0.00 C ATOM 330 O LYS A 124 8.228 10.268 -1.734 1.00 0.00 O ATOM 331 CB LYS A 124 7.671 10.834 -4.877 1.00 0.00 C ATOM 332 CG LYS A 124 8.628 11.963 -4.533 1.00 0.00 C ATOM 333 CD LYS A 124 8.412 13.171 -5.427 1.00 0.00 C ATOM 334 CE LYS A 124 9.492 14.221 -5.219 1.00 0.00 C ATOM 335 NZ LYS A 124 9.547 14.706 -3.813 1.00 0.00 N1+ ATOM 0 H LYS A 124 6.590 8.679 -5.401 1.00 0.00 H new ATOM 0 HA LYS A 124 8.921 9.330 -3.998 1.00 0.00 H new ATOM 0 HB2 LYS A 124 7.804 10.562 -5.924 1.00 0.00 H new ATOM 0 HB3 LYS A 124 6.647 11.190 -4.768 1.00 0.00 H new ATOM 0 HG2 LYS A 124 8.491 12.252 -3.491 1.00 0.00 H new ATOM 0 HG3 LYS A 124 9.655 11.613 -4.635 1.00 0.00 H new ATOM 0 HD2 LYS A 124 8.406 12.856 -6.470 1.00 0.00 H new ATOM 0 HD3 LYS A 124 7.435 13.607 -5.220 1.00 0.00 H new ATOM 0 HE2 LYS A 124 10.460 13.802 -5.494 1.00 0.00 H new ATOM 0 HE3 LYS A 124 9.308 15.064 -5.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 9.558 15.746 -3.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 8.713 14.364 -3.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 10.409 14.347 -3.356 1.00 0.00 H new ATOM 349 N LEU A 125 6.135 9.646 -2.296 1.00 0.00 N ATOM 350 CA LEU A 125 5.579 9.886 -0.964 1.00 0.00 C ATOM 351 C LEU A 125 6.347 9.085 0.086 1.00 0.00 C ATOM 352 O LEU A 125 6.854 9.637 1.061 1.00 0.00 O ATOM 353 CB LEU A 125 4.109 9.427 -0.938 1.00 0.00 C ATOM 354 CG LEU A 125 3.025 10.502 -0.896 1.00 0.00 C ATOM 355 CD1 LEU A 125 3.041 11.244 0.417 1.00 0.00 C ATOM 356 CD2 LEU A 125 3.171 11.457 -2.048 1.00 0.00 C ATOM 0 H LEU A 125 5.460 9.298 -2.976 1.00 0.00 H new ATOM 0 HA LEU A 125 5.656 10.950 -0.742 1.00 0.00 H new ATOM 0 HB2 LEU A 125 3.935 8.811 -1.821 1.00 0.00 H new ATOM 0 HB3 LEU A 125 3.975 8.783 -0.069 1.00 0.00 H new ATOM 0 HG LEU A 125 2.060 10.003 -0.987 1.00 0.00 H new ATOM 0 HD11 LEU A 125 2.258 12.002 0.416 1.00 0.00 H new ATOM 0 HD12 LEU A 125 2.866 10.543 1.233 1.00 0.00 H new ATOM 0 HD13 LEU A 125 4.010 11.724 0.552 1.00 0.00 H new ATOM 0 HD21 LEU A 125 2.387 12.213 -1.996 1.00 0.00 H new ATOM 0 HD22 LEU A 125 4.146 11.941 -1.998 1.00 0.00 H new ATOM 0 HD23 LEU A 125 3.085 10.910 -2.987 1.00 0.00 H new ATOM 368 N LEU A 126 6.453 7.787 -0.144 1.00 0.00 N ATOM 369 CA LEU A 126 7.119 6.889 0.791 1.00 0.00 C ATOM 370 C LEU A 126 8.638 6.996 0.731 1.00 0.00 C ATOM 371 O LEU A 126 9.306 7.018 1.765 1.00 0.00 O ATOM 372 CB LEU A 126 6.688 5.457 0.524 1.00 0.00 C ATOM 373 CG LEU A 126 5.210 5.192 0.767 1.00 0.00 C ATOM 374 CD1 LEU A 126 4.805 3.887 0.131 1.00 0.00 C ATOM 375 CD2 LEU A 126 4.904 5.170 2.255 1.00 0.00 C ATOM 0 H LEU A 126 6.084 7.327 -0.976 1.00 0.00 H new ATOM 0 HA LEU A 126 6.819 7.189 1.795 1.00 0.00 H new ATOM 0 HB2 LEU A 126 6.925 5.205 -0.510 1.00 0.00 H new ATOM 0 HB3 LEU A 126 7.273 4.790 1.157 1.00 0.00 H new ATOM 0 HG LEU A 126 4.636 6.000 0.312 1.00 0.00 H new ATOM 0 HD11 LEU A 126 3.745 3.708 0.311 1.00 0.00 H new ATOM 0 HD12 LEU A 126 4.988 3.933 -0.943 1.00 0.00 H new ATOM 0 HD13 LEU A 126 5.389 3.075 0.564 1.00 0.00 H new ATOM 0 HD21 LEU A 126 3.841 4.979 2.405 1.00 0.00 H new ATOM 0 HD22 LEU A 126 5.486 4.383 2.734 1.00 0.00 H new ATOM 0 HD23 LEU A 126 5.165 6.133 2.694 1.00 0.00 H new ATOM 387 N THR A 127 9.183 7.038 -0.480 1.00 0.00 N ATOM 388 CA THR A 127 10.629 7.035 -0.664 1.00 0.00 C ATOM 389 C THR A 127 11.261 8.265 -0.011 1.00 0.00 C ATOM 390 O THR A 127 12.352 8.189 0.553 1.00 0.00 O ATOM 391 CB THR A 127 11.007 6.988 -2.164 1.00 0.00 C ATOM 392 OG1 THR A 127 10.202 6.014 -2.840 1.00 0.00 O ATOM 393 CG2 THR A 127 12.470 6.615 -2.355 1.00 0.00 C ATOM 0 H THR A 127 8.646 7.074 -1.347 1.00 0.00 H new ATOM 0 HA THR A 127 11.016 6.137 -0.183 1.00 0.00 H new ATOM 0 HB THR A 127 10.834 7.982 -2.577 1.00 0.00 H new ATOM 0 HG1 THR A 127 9.386 6.440 -3.175 1.00 0.00 H new ATOM 0 HG21 THR A 127 12.703 6.591 -3.419 1.00 0.00 H new ATOM 0 HG22 THR A 127 13.101 7.354 -1.862 1.00 0.00 H new ATOM 0 HG23 THR A 127 12.655 5.633 -1.921 1.00 0.00 H new ATOM 401 N GLU A 128 10.554 9.387 -0.062 1.00 0.00 N ATOM 402 CA GLU A 128 11.062 10.633 0.492 1.00 0.00 C ATOM 403 C GLU A 128 10.565 10.885 1.915 1.00 0.00 C ATOM 404 O GLU A 128 11.362 11.115 2.826 1.00 0.00 O ATOM 405 CB GLU A 128 10.669 11.797 -0.410 1.00 0.00 C ATOM 406 CG GLU A 128 11.403 11.792 -1.735 1.00 0.00 C ATOM 407 CD GLU A 128 12.894 11.997 -1.563 1.00 0.00 C ATOM 408 OE1 GLU A 128 13.309 13.149 -1.332 1.00 0.00 O ATOM 409 OE2 GLU A 128 13.656 11.015 -1.666 1.00 0.00 O1- ATOM 0 H GLU A 128 9.627 9.458 -0.482 1.00 0.00 H new ATOM 0 HA GLU A 128 12.148 10.549 0.540 1.00 0.00 H new ATOM 0 HB2 GLU A 128 9.596 11.760 -0.595 1.00 0.00 H new ATOM 0 HB3 GLU A 128 10.871 12.735 0.107 1.00 0.00 H new ATOM 0 HG2 GLU A 128 11.224 10.845 -2.244 1.00 0.00 H new ATOM 0 HG3 GLU A 128 11.001 12.578 -2.374 1.00 0.00 H new ATOM 416 N LYS A 129 9.252 10.831 2.109 1.00 0.00 N ATOM 417 CA LYS A 129 8.650 11.248 3.375 1.00 0.00 C ATOM 418 C LYS A 129 8.362 10.069 4.297 1.00 0.00 C ATOM 419 O LYS A 129 8.251 10.237 5.514 1.00 0.00 O ATOM 420 CB LYS A 129 7.359 12.020 3.111 1.00 0.00 C ATOM 421 CG LYS A 129 7.563 13.268 2.272 1.00 0.00 C ATOM 422 CD LYS A 129 6.255 13.997 2.025 1.00 0.00 C ATOM 423 CE LYS A 129 6.478 15.293 1.265 1.00 0.00 C ATOM 424 NZ LYS A 129 7.404 16.208 1.984 1.00 0.00 N1+ ATOM 0 H LYS A 129 8.584 10.504 1.410 1.00 0.00 H new ATOM 0 HA LYS A 129 9.373 11.890 3.878 1.00 0.00 H new ATOM 0 HB2 LYS A 129 6.649 11.364 2.607 1.00 0.00 H new ATOM 0 HB3 LYS A 129 6.911 12.301 4.064 1.00 0.00 H new ATOM 0 HG2 LYS A 129 8.262 13.935 2.776 1.00 0.00 H new ATOM 0 HG3 LYS A 129 8.014 12.996 1.318 1.00 0.00 H new ATOM 0 HD2 LYS A 129 5.579 13.354 1.461 1.00 0.00 H new ATOM 0 HD3 LYS A 129 5.770 14.211 2.978 1.00 0.00 H new ATOM 0 HE2 LYS A 129 6.883 15.069 0.278 1.00 0.00 H new ATOM 0 HE3 LYS A 129 5.521 15.792 1.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 7.298 17.173 1.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 7.178 16.203 2.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 8.384 15.889 1.845 1.00 0.00 H new ATOM 438 N GLY A 130 8.234 8.883 3.726 1.00 0.00 N ATOM 439 CA GLY A 130 7.926 7.713 4.522 1.00 0.00 C ATOM 440 C GLY A 130 9.172 7.012 5.019 1.00 0.00 C ATOM 441 O GLY A 130 10.290 7.418 4.698 1.00 0.00 O ATOM 0 H GLY A 130 8.338 8.708 2.726 1.00 0.00 H new ATOM 0 HA2 GLY A 130 7.313 8.007 5.374 1.00 0.00 H new ATOM 0 HA3 GLY A 130 7.333 7.018 3.928 1.00 0.00 H new ATOM 445 N LYS A 131 8.980 5.959 5.799 1.00 0.00 N ATOM 446 CA LYS A 131 10.086 5.177 6.331 1.00 0.00 C ATOM 447 C LYS A 131 9.776 3.690 6.185 1.00 0.00 C ATOM 448 O LYS A 131 8.692 3.328 5.728 1.00 0.00 O ATOM 449 CB LYS A 131 10.348 5.546 7.795 1.00 0.00 C ATOM 450 CG LYS A 131 9.201 5.212 8.735 1.00 0.00 C ATOM 451 CD LYS A 131 9.422 5.818 10.110 1.00 0.00 C ATOM 452 CE LYS A 131 8.335 5.402 11.086 1.00 0.00 C ATOM 453 NZ LYS A 131 8.482 6.078 12.400 1.00 0.00 N1+ ATOM 0 H LYS A 131 8.059 5.624 6.080 1.00 0.00 H new ATOM 0 HA LYS A 131 10.991 5.401 5.766 1.00 0.00 H new ATOM 0 HB2 LYS A 131 11.244 5.027 8.134 1.00 0.00 H new ATOM 0 HB3 LYS A 131 10.555 6.614 7.858 1.00 0.00 H new ATOM 0 HG2 LYS A 131 8.265 5.584 8.317 1.00 0.00 H new ATOM 0 HG3 LYS A 131 9.103 4.130 8.823 1.00 0.00 H new ATOM 0 HD2 LYS A 131 10.394 5.507 10.493 1.00 0.00 H new ATOM 0 HD3 LYS A 131 9.443 6.905 10.030 1.00 0.00 H new ATOM 0 HE2 LYS A 131 7.358 5.638 10.664 1.00 0.00 H new ATOM 0 HE3 LYS A 131 8.368 4.322 11.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 7.721 5.767 13.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 9.403 5.833 12.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 8.424 7.108 12.269 1.00 0.00 H new ATOM 467 N HIS A 132 10.727 2.835 6.532 1.00 0.00 N ATOM 468 CA HIS A 132 10.538 1.392 6.395 1.00 0.00 C ATOM 469 C HIS A 132 9.319 0.932 7.193 1.00 0.00 C ATOM 470 O HIS A 132 9.279 1.067 8.414 1.00 0.00 O ATOM 471 CB HIS A 132 11.792 0.645 6.865 1.00 0.00 C ATOM 472 CG HIS A 132 11.724 -0.843 6.696 1.00 0.00 C ATOM 473 ND1 HIS A 132 12.289 -1.504 5.632 1.00 0.00 N ATOM 474 CD2 HIS A 132 11.167 -1.800 7.476 1.00 0.00 C ATOM 475 CE1 HIS A 132 12.083 -2.801 5.763 1.00 0.00 C ATOM 476 NE2 HIS A 132 11.405 -3.010 6.876 1.00 0.00 N ATOM 0 H HIS A 132 11.634 3.110 6.909 1.00 0.00 H new ATOM 0 HA HIS A 132 10.368 1.165 5.343 1.00 0.00 H new ATOM 0 HB2 HIS A 132 12.653 1.022 6.314 1.00 0.00 H new ATOM 0 HB3 HIS A 132 11.963 0.872 7.917 1.00 0.00 H new ATOM 0 HD1 HIS A 132 12.789 -1.061 4.861 1.00 0.00 H new ATOM 0 HD2 HIS A 132 10.633 -1.640 8.401 1.00 0.00 H new ATOM 0 HE1 HIS A 132 12.414 -3.564 5.074 1.00 0.00 H new ATOM 485 N GLY A 133 8.325 0.396 6.494 1.00 0.00 N ATOM 486 CA GLY A 133 7.122 -0.066 7.162 1.00 0.00 C ATOM 487 C GLY A 133 5.950 0.881 6.982 1.00 0.00 C ATOM 488 O GLY A 133 4.835 0.592 7.421 1.00 0.00 O ATOM 0 H GLY A 133 8.330 0.273 5.481 1.00 0.00 H new ATOM 0 HA2 GLY A 133 6.852 -1.049 6.776 1.00 0.00 H new ATOM 0 HA3 GLY A 133 7.326 -0.187 8.226 1.00 0.00 H new ATOM 492 N SER A 134 6.198 2.023 6.354 1.00 0.00 N ATOM 493 CA SER A 134 5.134 2.972 6.066 1.00 0.00 C ATOM 494 C SER A 134 4.272 2.471 4.916 1.00 0.00 C ATOM 495 O SER A 134 4.791 1.959 3.921 1.00 0.00 O ATOM 496 CB SER A 134 5.720 4.343 5.725 1.00 0.00 C ATOM 497 OG SER A 134 6.564 4.811 6.765 1.00 0.00 O ATOM 0 H SER A 134 7.123 2.313 6.036 1.00 0.00 H new ATOM 0 HA SER A 134 4.510 3.069 6.954 1.00 0.00 H new ATOM 0 HB2 SER A 134 6.285 4.279 4.795 1.00 0.00 H new ATOM 0 HB3 SER A 134 4.912 5.056 5.559 1.00 0.00 H new ATOM 0 HG SER A 134 6.094 4.744 7.623 1.00 0.00 H new ATOM 503 N PHE A 135 2.962 2.617 5.058 1.00 0.00 N ATOM 504 CA PHE A 135 2.039 2.210 4.013 1.00 0.00 C ATOM 505 C PHE A 135 0.954 3.257 3.816 1.00 0.00 C ATOM 506 O PHE A 135 0.582 3.969 4.752 1.00 0.00 O ATOM 507 CB PHE A 135 1.408 0.847 4.338 1.00 0.00 C ATOM 508 CG PHE A 135 0.518 0.825 5.553 1.00 0.00 C ATOM 509 CD1 PHE A 135 -0.831 1.136 5.453 1.00 0.00 C ATOM 510 CD2 PHE A 135 1.026 0.469 6.791 1.00 0.00 C ATOM 511 CE1 PHE A 135 -1.651 1.096 6.564 1.00 0.00 C ATOM 512 CE2 PHE A 135 0.211 0.431 7.906 1.00 0.00 C ATOM 513 CZ PHE A 135 -1.128 0.744 7.791 1.00 0.00 C ATOM 0 H PHE A 135 2.517 3.014 5.886 1.00 0.00 H new ATOM 0 HA PHE A 135 2.604 2.115 3.086 1.00 0.00 H new ATOM 0 HB2 PHE A 135 0.827 0.519 3.476 1.00 0.00 H new ATOM 0 HB3 PHE A 135 2.207 0.119 4.480 1.00 0.00 H new ATOM 0 HD1 PHE A 135 -1.245 1.413 4.495 1.00 0.00 H new ATOM 0 HD2 PHE A 135 2.072 0.218 6.886 1.00 0.00 H new ATOM 0 HE1 PHE A 135 -2.699 1.340 6.472 1.00 0.00 H new ATOM 0 HE2 PHE A 135 0.621 0.157 8.867 1.00 0.00 H new ATOM 0 HZ PHE A 135 -1.766 0.713 8.662 1.00 0.00 H new ATOM 523 N LEU A 136 0.472 3.360 2.593 1.00 0.00 N ATOM 524 CA LEU A 136 -0.614 4.262 2.265 1.00 0.00 C ATOM 525 C LEU A 136 -1.402 3.682 1.099 1.00 0.00 C ATOM 526 O LEU A 136 -0.822 3.197 0.124 1.00 0.00 O ATOM 527 CB LEU A 136 -0.080 5.673 1.923 1.00 0.00 C ATOM 528 CG LEU A 136 0.583 5.851 0.547 1.00 0.00 C ATOM 529 CD1 LEU A 136 1.131 7.250 0.388 1.00 0.00 C ATOM 530 CD2 LEU A 136 1.708 4.875 0.349 1.00 0.00 C ATOM 0 H LEU A 136 0.822 2.822 1.800 1.00 0.00 H new ATOM 0 HA LEU A 136 -1.270 4.366 3.130 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -0.910 6.376 1.993 1.00 0.00 H new ATOM 0 HB3 LEU A 136 0.643 5.956 2.687 1.00 0.00 H new ATOM 0 HG LEU A 136 -0.190 5.669 -0.200 1.00 0.00 H new ATOM 0 HD11 LEU A 136 1.595 7.350 -0.593 1.00 0.00 H new ATOM 0 HD12 LEU A 136 0.319 7.971 0.481 1.00 0.00 H new ATOM 0 HD13 LEU A 136 1.875 7.439 1.162 1.00 0.00 H new ATOM 0 HD21 LEU A 136 2.154 5.029 -0.634 1.00 0.00 H new ATOM 0 HD22 LEU A 136 2.464 5.030 1.119 1.00 0.00 H new ATOM 0 HD23 LEU A 136 1.323 3.857 0.418 1.00 0.00 H new ATOM 542 N VAL A 137 -2.714 3.692 1.201 1.00 0.00 N ATOM 543 CA VAL A 137 -3.529 3.216 0.108 1.00 0.00 C ATOM 544 C VAL A 137 -3.995 4.401 -0.717 1.00 0.00 C ATOM 545 O VAL A 137 -4.291 5.472 -0.187 1.00 0.00 O ATOM 546 CB VAL A 137 -4.737 2.369 0.569 1.00 0.00 C ATOM 547 CG1 VAL A 137 -4.299 1.238 1.491 1.00 0.00 C ATOM 548 CG2 VAL A 137 -5.794 3.228 1.222 1.00 0.00 C ATOM 0 H VAL A 137 -3.231 4.019 2.017 1.00 0.00 H new ATOM 0 HA VAL A 137 -2.910 2.552 -0.496 1.00 0.00 H new ATOM 0 HB VAL A 137 -5.181 1.919 -0.319 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -5.171 0.661 1.798 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -3.601 0.588 0.963 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -3.811 1.655 2.372 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -6.630 2.602 1.535 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -5.370 3.728 2.093 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -6.146 3.975 0.511 1.00 0.00 H new ATOM 558 N ARG A 138 -4.016 4.218 -2.012 1.00 0.00 N ATOM 559 CA ARG A 138 -4.336 5.289 -2.931 1.00 0.00 C ATOM 560 C ARG A 138 -5.202 4.762 -4.055 1.00 0.00 C ATOM 561 O ARG A 138 -5.275 3.553 -4.270 1.00 0.00 O ATOM 562 CB ARG A 138 -3.048 5.877 -3.504 1.00 0.00 C ATOM 563 CG ARG A 138 -2.056 4.813 -3.923 1.00 0.00 C ATOM 564 CD ARG A 138 -1.113 5.312 -4.995 1.00 0.00 C ATOM 565 NE ARG A 138 -1.791 5.454 -6.285 1.00 0.00 N ATOM 566 CZ ARG A 138 -1.420 4.862 -7.425 1.00 0.00 C ATOM 567 NH1 ARG A 138 -0.381 4.042 -7.458 1.00 0.00 N1+ ATOM 568 NH2 ARG A 138 -2.103 5.090 -8.537 1.00 0.00 N ATOM 0 H ARG A 138 -3.813 3.326 -2.462 1.00 0.00 H new ATOM 0 HA ARG A 138 -4.881 6.067 -2.397 1.00 0.00 H new ATOM 0 HB2 ARG A 138 -3.290 6.502 -4.364 1.00 0.00 H new ATOM 0 HB3 ARG A 138 -2.586 6.525 -2.759 1.00 0.00 H new ATOM 0 HG2 ARG A 138 -1.481 4.491 -3.055 1.00 0.00 H new ATOM 0 HG3 ARG A 138 -2.594 3.939 -4.291 1.00 0.00 H new ATOM 0 HD2 ARG A 138 -0.696 6.273 -4.695 1.00 0.00 H new ATOM 0 HD3 ARG A 138 -0.277 4.619 -5.097 1.00 0.00 H new ATOM 0 HE ARG A 138 -2.615 6.055 -6.317 1.00 0.00 H new ATOM 0 HH11 ARG A 138 0.148 3.855 -6.606 1.00 0.00 H new ATOM 0 HH12 ARG A 138 -0.110 3.598 -8.335 1.00 0.00 H new ATOM 0 HH21 ARG A 138 -2.909 5.715 -8.521 1.00 0.00 H new ATOM 0 HH22 ARG A 138 -1.823 4.640 -9.409 1.00 0.00 H new ATOM 582 N GLU A 139 -5.854 5.663 -4.766 1.00 0.00 N ATOM 583 CA GLU A 139 -6.680 5.277 -5.893 1.00 0.00 C ATOM 584 C GLU A 139 -5.801 4.973 -7.100 1.00 0.00 C ATOM 585 O GLU A 139 -4.937 5.773 -7.465 1.00 0.00 O ATOM 586 CB GLU A 139 -7.675 6.389 -6.225 1.00 0.00 C ATOM 587 CG GLU A 139 -8.615 6.721 -5.077 1.00 0.00 C ATOM 588 CD GLU A 139 -9.599 7.815 -5.427 1.00 0.00 C ATOM 589 OE1 GLU A 139 -10.658 7.505 -6.010 1.00 0.00 O ATOM 590 OE2 GLU A 139 -9.323 8.992 -5.122 1.00 0.00 O1- ATOM 0 H GLU A 139 -5.827 6.666 -4.583 1.00 0.00 H new ATOM 0 HA GLU A 139 -7.240 4.379 -5.631 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -7.125 7.287 -6.505 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -8.264 6.092 -7.093 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -9.163 5.823 -4.790 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -8.030 7.028 -4.210 1.00 0.00 H new ATOM 597 N SER A 140 -6.001 3.806 -7.700 1.00 0.00 N ATOM 598 CA SER A 140 -5.244 3.423 -8.879 1.00 0.00 C ATOM 599 C SER A 140 -5.766 4.171 -10.092 1.00 0.00 C ATOM 600 O SER A 140 -6.977 4.334 -10.263 1.00 0.00 O ATOM 601 CB SER A 140 -5.329 1.915 -9.118 1.00 0.00 C ATOM 602 OG SER A 140 -4.546 1.525 -10.239 1.00 0.00 O ATOM 0 H SER A 140 -6.680 3.112 -7.388 1.00 0.00 H new ATOM 0 HA SER A 140 -4.198 3.684 -8.716 1.00 0.00 H new ATOM 0 HB2 SER A 140 -4.986 1.384 -8.230 1.00 0.00 H new ATOM 0 HB3 SER A 140 -6.368 1.628 -9.280 1.00 0.00 H new ATOM 0 HG SER A 140 -4.353 0.566 -10.186 1.00 0.00 H new ATOM 608 N GLN A 141 -4.852 4.640 -10.921 1.00 0.00 N ATOM 609 CA GLN A 141 -5.218 5.390 -12.103 1.00 0.00 C ATOM 610 C GLN A 141 -5.137 4.497 -13.333 1.00 0.00 C ATOM 611 O GLN A 141 -5.755 4.777 -14.363 1.00 0.00 O ATOM 612 CB GLN A 141 -4.320 6.615 -12.248 1.00 0.00 C ATOM 613 CG GLN A 141 -4.315 7.491 -11.006 1.00 0.00 C ATOM 614 CD GLN A 141 -3.538 8.776 -11.180 1.00 0.00 C ATOM 615 OE1 GLN A 141 -2.592 8.849 -11.964 1.00 0.00 O ATOM 616 NE2 GLN A 141 -3.923 9.796 -10.437 1.00 0.00 N ATOM 0 H GLN A 141 -3.848 4.513 -10.795 1.00 0.00 H new ATOM 0 HA GLN A 141 -6.246 5.737 -12.004 1.00 0.00 H new ATOM 0 HB2 GLN A 141 -3.302 6.290 -12.462 1.00 0.00 H new ATOM 0 HB3 GLN A 141 -4.653 7.205 -13.102 1.00 0.00 H new ATOM 0 HG2 GLN A 141 -5.343 7.731 -10.736 1.00 0.00 H new ATOM 0 HG3 GLN A 141 -3.890 6.928 -10.175 1.00 0.00 H new ATOM 0 HE21 GLN A 141 -4.713 9.693 -9.800 1.00 0.00 H new ATOM 0 HE22 GLN A 141 -3.431 10.687 -10.500 1.00 0.00 H new ATOM 625 N SER A 142 -4.367 3.422 -13.219 1.00 0.00 N ATOM 626 CA SER A 142 -4.307 2.417 -14.267 1.00 0.00 C ATOM 627 C SER A 142 -5.427 1.401 -14.079 1.00 0.00 C ATOM 628 O SER A 142 -5.918 0.813 -15.043 1.00 0.00 O ATOM 629 CB SER A 142 -2.951 1.720 -14.256 1.00 0.00 C ATOM 630 OG SER A 142 -1.905 2.665 -14.384 1.00 0.00 O ATOM 0 H SER A 142 -3.776 3.226 -12.411 1.00 0.00 H new ATOM 0 HA SER A 142 -4.435 2.907 -15.232 1.00 0.00 H new ATOM 0 HB2 SER A 142 -2.831 1.160 -13.329 1.00 0.00 H new ATOM 0 HB3 SER A 142 -2.900 0.999 -15.072 1.00 0.00 H new ATOM 0 HG SER A 142 -1.042 2.201 -14.373 1.00 0.00 H new ATOM 636 N HIS A 143 -5.828 1.202 -12.830 1.00 0.00 N ATOM 637 CA HIS A 143 -6.947 0.330 -12.514 1.00 0.00 C ATOM 638 C HIS A 143 -8.063 1.150 -11.871 1.00 0.00 C ATOM 639 O HIS A 143 -8.193 1.180 -10.646 1.00 0.00 O ATOM 640 CB HIS A 143 -6.497 -0.785 -11.566 1.00 0.00 C ATOM 641 CG HIS A 143 -7.036 -2.137 -11.920 1.00 0.00 C ATOM 642 ND1 HIS A 143 -8.267 -2.598 -11.512 1.00 0.00 N ATOM 643 CD2 HIS A 143 -6.488 -3.136 -12.648 1.00 0.00 C ATOM 644 CE1 HIS A 143 -8.451 -3.820 -11.969 1.00 0.00 C ATOM 645 NE2 HIS A 143 -7.388 -4.170 -12.662 1.00 0.00 N ATOM 0 H HIS A 143 -5.391 1.636 -12.017 1.00 0.00 H new ATOM 0 HA HIS A 143 -7.318 -0.126 -13.432 1.00 0.00 H new ATOM 0 HB2 HIS A 143 -5.408 -0.828 -11.563 1.00 0.00 H new ATOM 0 HB3 HIS A 143 -6.809 -0.534 -10.552 1.00 0.00 H new ATOM 0 HD1 HIS A 143 -8.933 -2.075 -10.944 1.00 0.00 H new ATOM 0 HD2 HIS A 143 -5.521 -3.122 -13.129 1.00 0.00 H new ATOM 0 HE1 HIS A 143 -9.326 -4.431 -11.803 1.00 0.00 H new ATOM 654 N PRO A 144 -8.873 1.841 -12.691 1.00 0.00 N ATOM 655 CA PRO A 144 -9.918 2.745 -12.199 1.00 0.00 C ATOM 656 C PRO A 144 -10.987 2.013 -11.394 1.00 0.00 C ATOM 657 O PRO A 144 -11.479 0.959 -11.802 1.00 0.00 O ATOM 658 CB PRO A 144 -10.520 3.341 -13.474 1.00 0.00 C ATOM 659 CG PRO A 144 -10.171 2.378 -14.552 1.00 0.00 C ATOM 660 CD PRO A 144 -8.851 1.782 -14.162 1.00 0.00 C ATOM 0 HA PRO A 144 -9.513 3.495 -11.519 1.00 0.00 H new ATOM 0 HB2 PRO A 144 -11.600 3.457 -13.383 1.00 0.00 H new ATOM 0 HB3 PRO A 144 -10.109 4.329 -13.680 1.00 0.00 H new ATOM 0 HG2 PRO A 144 -10.935 1.606 -14.648 1.00 0.00 H new ATOM 0 HG3 PRO A 144 -10.103 2.880 -15.517 1.00 0.00 H new ATOM 0 HD2 PRO A 144 -8.750 0.758 -14.522 1.00 0.00 H new ATOM 0 HD3 PRO A 144 -8.016 2.349 -14.575 1.00 0.00 H new ATOM 668 N GLY A 145 -11.328 2.571 -10.242 1.00 0.00 N ATOM 669 CA GLY A 145 -12.316 1.954 -9.382 1.00 0.00 C ATOM 670 C GLY A 145 -11.677 1.079 -8.328 1.00 0.00 C ATOM 671 O GLY A 145 -12.344 0.622 -7.399 1.00 0.00 O ATOM 0 H GLY A 145 -10.936 3.443 -9.887 1.00 0.00 H new ATOM 0 HA2 GLY A 145 -12.911 2.729 -8.899 1.00 0.00 H new ATOM 0 HA3 GLY A 145 -13.000 1.356 -9.985 1.00 0.00 H new ATOM 675 N ASP A 146 -10.379 0.844 -8.473 1.00 0.00 N ATOM 676 CA ASP A 146 -9.633 0.031 -7.524 1.00 0.00 C ATOM 677 C ASP A 146 -8.615 0.882 -6.785 1.00 0.00 C ATOM 678 O ASP A 146 -8.344 2.025 -7.165 1.00 0.00 O ATOM 679 CB ASP A 146 -8.918 -1.121 -8.233 1.00 0.00 C ATOM 680 CG ASP A 146 -9.874 -2.128 -8.835 1.00 0.00 C ATOM 681 OD1 ASP A 146 -10.177 -3.144 -8.174 1.00 0.00 O ATOM 682 OD2 ASP A 146 -10.313 -1.923 -9.987 1.00 0.00 O1- ATOM 0 H ASP A 146 -9.819 1.208 -9.244 1.00 0.00 H new ATOM 0 HA ASP A 146 -10.343 -0.385 -6.809 1.00 0.00 H new ATOM 0 HB2 ASP A 146 -8.281 -0.717 -9.020 1.00 0.00 H new ATOM 0 HB3 ASP A 146 -8.264 -1.628 -7.523 1.00 0.00 H new ATOM 687 N PHE A 147 -8.045 0.318 -5.737 1.00 0.00 N ATOM 688 CA PHE A 147 -7.098 1.034 -4.903 1.00 0.00 C ATOM 689 C PHE A 147 -5.803 0.248 -4.814 1.00 0.00 C ATOM 690 O PHE A 147 -5.770 -0.931 -5.148 1.00 0.00 O ATOM 691 CB PHE A 147 -7.681 1.249 -3.503 1.00 0.00 C ATOM 692 CG PHE A 147 -8.984 2.003 -3.502 1.00 0.00 C ATOM 693 CD1 PHE A 147 -10.182 1.342 -3.711 1.00 0.00 C ATOM 694 CD2 PHE A 147 -9.008 3.370 -3.292 1.00 0.00 C ATOM 695 CE1 PHE A 147 -11.381 2.030 -3.712 1.00 0.00 C ATOM 696 CE2 PHE A 147 -10.204 4.063 -3.291 1.00 0.00 C ATOM 697 CZ PHE A 147 -11.390 3.392 -3.502 1.00 0.00 C ATOM 0 H PHE A 147 -8.223 -0.642 -5.441 1.00 0.00 H new ATOM 0 HA PHE A 147 -6.897 2.008 -5.348 1.00 0.00 H new ATOM 0 HB2 PHE A 147 -7.832 0.279 -3.028 1.00 0.00 H new ATOM 0 HB3 PHE A 147 -6.956 1.792 -2.896 1.00 0.00 H new ATOM 0 HD1 PHE A 147 -10.180 0.275 -3.875 1.00 0.00 H new ATOM 0 HD2 PHE A 147 -8.082 3.902 -3.127 1.00 0.00 H new ATOM 0 HE1 PHE A 147 -12.308 1.502 -3.877 1.00 0.00 H new ATOM 0 HE2 PHE A 147 -10.210 5.130 -3.125 1.00 0.00 H new ATOM 0 HZ PHE A 147 -12.325 3.933 -3.503 1.00 0.00 H new ATOM 707 N VAL A 148 -4.733 0.895 -4.388 1.00 0.00 N ATOM 708 CA VAL A 148 -3.459 0.214 -4.236 1.00 0.00 C ATOM 709 C VAL A 148 -2.797 0.573 -2.911 1.00 0.00 C ATOM 710 O VAL A 148 -2.791 1.733 -2.493 1.00 0.00 O ATOM 711 CB VAL A 148 -2.486 0.521 -5.400 1.00 0.00 C ATOM 712 CG1 VAL A 148 -3.087 0.125 -6.729 1.00 0.00 C ATOM 713 CG2 VAL A 148 -2.111 1.976 -5.440 1.00 0.00 C ATOM 0 H VAL A 148 -4.720 1.885 -4.142 1.00 0.00 H new ATOM 0 HA VAL A 148 -3.679 -0.853 -4.251 1.00 0.00 H new ATOM 0 HB VAL A 148 -1.586 -0.067 -5.222 1.00 0.00 H new ATOM 0 HG11 VAL A 148 -2.382 0.352 -7.529 1.00 0.00 H new ATOM 0 HG12 VAL A 148 -3.302 -0.944 -6.727 1.00 0.00 H new ATOM 0 HG13 VAL A 148 -4.011 0.681 -6.891 1.00 0.00 H new ATOM 0 HG21 VAL A 148 -1.427 2.153 -6.270 1.00 0.00 H new ATOM 0 HG22 VAL A 148 -3.009 2.580 -5.575 1.00 0.00 H new ATOM 0 HG23 VAL A 148 -1.625 2.252 -4.504 1.00 0.00 H new ATOM 723 N LEU A 149 -2.254 -0.435 -2.255 1.00 0.00 N ATOM 724 CA LEU A 149 -1.532 -0.257 -1.010 1.00 0.00 C ATOM 725 C LEU A 149 -0.059 -0.073 -1.312 1.00 0.00 C ATOM 726 O LEU A 149 0.609 -1.006 -1.725 1.00 0.00 O ATOM 727 CB LEU A 149 -1.712 -1.498 -0.133 1.00 0.00 C ATOM 728 CG LEU A 149 -1.019 -1.457 1.222 1.00 0.00 C ATOM 729 CD1 LEU A 149 -2.041 -1.419 2.340 1.00 0.00 C ATOM 730 CD2 LEU A 149 -0.114 -2.657 1.388 1.00 0.00 C ATOM 0 H LEU A 149 -2.302 -1.403 -2.572 1.00 0.00 H new ATOM 0 HA LEU A 149 -1.917 0.619 -0.487 1.00 0.00 H new ATOM 0 HB2 LEU A 149 -2.779 -1.653 0.030 1.00 0.00 H new ATOM 0 HB3 LEU A 149 -1.344 -2.365 -0.682 1.00 0.00 H new ATOM 0 HG LEU A 149 -0.414 -0.551 1.270 1.00 0.00 H new ATOM 0 HD11 LEU A 149 -1.528 -1.390 3.301 1.00 0.00 H new ATOM 0 HD12 LEU A 149 -2.663 -0.530 2.234 1.00 0.00 H new ATOM 0 HD13 LEU A 149 -2.668 -2.309 2.290 1.00 0.00 H new ATOM 0 HD21 LEU A 149 0.374 -2.613 2.362 1.00 0.00 H new ATOM 0 HD22 LEU A 149 -0.705 -3.570 1.319 1.00 0.00 H new ATOM 0 HD23 LEU A 149 0.642 -2.654 0.603 1.00 0.00 H new ATOM 742 N SER A 150 0.459 1.111 -1.110 1.00 0.00 N ATOM 743 CA SER A 150 1.857 1.341 -1.394 1.00 0.00 C ATOM 744 C SER A 150 2.645 1.319 -0.092 1.00 0.00 C ATOM 745 O SER A 150 2.256 1.947 0.891 1.00 0.00 O ATOM 746 CB SER A 150 2.034 2.653 -2.158 1.00 0.00 C ATOM 747 OG SER A 150 1.048 2.776 -3.177 1.00 0.00 O ATOM 0 H SER A 150 -0.053 1.919 -0.756 1.00 0.00 H new ATOM 0 HA SER A 150 2.244 0.548 -2.034 1.00 0.00 H new ATOM 0 HB2 SER A 150 1.960 3.494 -1.469 1.00 0.00 H new ATOM 0 HB3 SER A 150 3.029 2.691 -2.601 1.00 0.00 H new ATOM 0 HG SER A 150 1.486 2.949 -4.037 1.00 0.00 H new ATOM 753 N VAL A 151 3.722 0.554 -0.081 1.00 0.00 N ATOM 754 CA VAL A 151 4.504 0.340 1.125 1.00 0.00 C ATOM 755 C VAL A 151 5.989 0.550 0.853 1.00 0.00 C ATOM 756 O VAL A 151 6.470 0.274 -0.246 1.00 0.00 O ATOM 757 CB VAL A 151 4.289 -1.088 1.670 1.00 0.00 C ATOM 758 CG1 VAL A 151 2.838 -1.319 2.022 1.00 0.00 C ATOM 759 CG2 VAL A 151 4.746 -2.129 0.672 1.00 0.00 C ATOM 0 H VAL A 151 4.078 0.066 -0.903 1.00 0.00 H new ATOM 0 HA VAL A 151 4.168 1.065 1.867 1.00 0.00 H new ATOM 0 HB VAL A 151 4.890 -1.186 2.574 1.00 0.00 H new ATOM 0 HG11 VAL A 151 2.713 -2.332 2.404 1.00 0.00 H new ATOM 0 HG12 VAL A 151 2.530 -0.604 2.785 1.00 0.00 H new ATOM 0 HG13 VAL A 151 2.222 -1.188 1.132 1.00 0.00 H new ATOM 0 HG21 VAL A 151 4.582 -3.125 1.084 1.00 0.00 H new ATOM 0 HG22 VAL A 151 4.178 -2.021 -0.252 1.00 0.00 H new ATOM 0 HG23 VAL A 151 5.807 -1.993 0.464 1.00 0.00 H new ATOM 769 N ARG A 152 6.708 1.049 1.846 1.00 0.00 N ATOM 770 CA ARG A 152 8.147 1.194 1.724 1.00 0.00 C ATOM 771 C ARG A 152 8.841 -0.054 2.248 1.00 0.00 C ATOM 772 O ARG A 152 8.927 -0.277 3.462 1.00 0.00 O ATOM 773 CB ARG A 152 8.646 2.442 2.458 1.00 0.00 C ATOM 774 CG ARG A 152 10.163 2.575 2.477 1.00 0.00 C ATOM 775 CD ARG A 152 10.597 3.942 2.982 1.00 0.00 C ATOM 776 NE ARG A 152 11.985 3.944 3.447 1.00 0.00 N ATOM 777 CZ ARG A 152 12.751 5.036 3.508 1.00 0.00 C ATOM 778 NH1 ARG A 152 12.302 6.200 3.054 1.00 0.00 N1+ ATOM 779 NH2 ARG A 152 13.975 4.960 4.013 1.00 0.00 N ATOM 0 H ARG A 152 6.321 1.358 2.738 1.00 0.00 H new ATOM 0 HA ARG A 152 8.390 1.317 0.669 1.00 0.00 H new ATOM 0 HB2 ARG A 152 8.218 3.326 1.985 1.00 0.00 H new ATOM 0 HB3 ARG A 152 8.279 2.420 3.484 1.00 0.00 H new ATOM 0 HG2 ARG A 152 10.589 1.799 3.113 1.00 0.00 H new ATOM 0 HG3 ARG A 152 10.556 2.416 1.473 1.00 0.00 H new ATOM 0 HD2 ARG A 152 10.482 4.676 2.184 1.00 0.00 H new ATOM 0 HD3 ARG A 152 9.942 4.251 3.797 1.00 0.00 H new ATOM 0 HE ARG A 152 12.392 3.057 3.743 1.00 0.00 H new ATOM 0 HH11 ARG A 152 11.366 6.265 2.655 1.00 0.00 H new ATOM 0 HH12 ARG A 152 12.893 7.029 3.104 1.00 0.00 H new ATOM 0 HH21 ARG A 152 14.331 4.067 4.355 1.00 0.00 H new ATOM 0 HH22 ARG A 152 14.560 5.794 4.060 1.00 0.00 H new ATOM 793 N THR A 153 9.328 -0.858 1.321 1.00 0.00 N ATOM 794 CA THR A 153 9.998 -2.099 1.635 1.00 0.00 C ATOM 795 C THR A 153 11.499 -1.936 1.465 1.00 0.00 C ATOM 796 O THR A 153 11.952 -1.176 0.610 1.00 0.00 O ATOM 797 CB THR A 153 9.479 -3.233 0.736 1.00 0.00 C ATOM 798 OG1 THR A 153 9.302 -2.752 -0.606 1.00 0.00 O ATOM 799 CG2 THR A 153 8.165 -3.772 1.275 1.00 0.00 C ATOM 0 H THR A 153 9.267 -0.663 0.322 1.00 0.00 H new ATOM 0 HA THR A 153 9.786 -2.358 2.672 1.00 0.00 H new ATOM 0 HB THR A 153 10.211 -4.041 0.730 1.00 0.00 H new ATOM 0 HG1 THR A 153 8.973 -3.480 -1.174 1.00 0.00 H new ATOM 0 HG21 THR A 153 7.809 -4.574 0.629 1.00 0.00 H new ATOM 0 HG22 THR A 153 8.316 -4.158 2.283 1.00 0.00 H new ATOM 0 HG23 THR A 153 7.426 -2.971 1.300 1.00 0.00 H new ATOM 807 N GLY A 154 12.268 -2.626 2.287 1.00 0.00 N ATOM 808 CA GLY A 154 13.703 -2.464 2.245 1.00 0.00 C ATOM 809 C GLY A 154 14.145 -1.172 2.903 1.00 0.00 C ATOM 810 O GLY A 154 13.315 -0.354 3.313 1.00 0.00 O ATOM 0 H GLY A 154 11.927 -3.293 2.980 1.00 0.00 H new ATOM 0 HA2 GLY A 154 14.178 -3.308 2.745 1.00 0.00 H new ATOM 0 HA3 GLY A 154 14.040 -2.477 1.208 1.00 0.00 H new ATOM 959 N LYS A 166 12.705 1.158 -1.372 1.00 0.00 N ATOM 960 CA LYS A 166 11.819 0.534 -2.329 1.00 0.00 C ATOM 961 C LYS A 166 10.374 0.777 -1.942 1.00 0.00 C ATOM 962 O LYS A 166 10.018 0.702 -0.772 1.00 0.00 O ATOM 963 CB LYS A 166 12.081 -0.972 -2.415 1.00 0.00 C ATOM 964 CG LYS A 166 11.268 -1.661 -3.483 1.00 0.00 C ATOM 965 CD LYS A 166 11.592 -1.091 -4.849 1.00 0.00 C ATOM 966 CE LYS A 166 11.041 -1.974 -5.941 1.00 0.00 C ATOM 967 NZ LYS A 166 11.474 -1.527 -7.290 1.00 0.00 N1+ ATOM 0 HA LYS A 166 12.011 0.978 -3.306 1.00 0.00 H new ATOM 0 HB2 LYS A 166 13.140 -1.139 -2.611 1.00 0.00 H new ATOM 0 HB3 LYS A 166 11.860 -1.428 -1.450 1.00 0.00 H new ATOM 0 HG2 LYS A 166 11.474 -2.731 -3.471 1.00 0.00 H new ATOM 0 HG3 LYS A 166 10.205 -1.539 -3.274 1.00 0.00 H new ATOM 0 HD2 LYS A 166 11.173 -0.089 -4.939 1.00 0.00 H new ATOM 0 HD3 LYS A 166 12.672 -0.996 -4.962 1.00 0.00 H new ATOM 0 HE2 LYS A 166 11.368 -3.001 -5.777 1.00 0.00 H new ATOM 0 HE3 LYS A 166 9.952 -1.975 -5.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 166 11.073 -2.161 -8.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 166 11.140 -0.557 -7.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 166 12.512 -1.550 -7.347 1.00 0.00 H new ATOM 981 N VAL A 167 9.547 1.090 -2.921 1.00 0.00 N ATOM 982 CA VAL A 167 8.128 1.220 -2.683 1.00 0.00 C ATOM 983 C VAL A 167 7.360 0.217 -3.520 1.00 0.00 C ATOM 984 O VAL A 167 7.340 0.290 -4.750 1.00 0.00 O ATOM 985 CB VAL A 167 7.617 2.640 -2.985 1.00 0.00 C ATOM 986 CG1 VAL A 167 6.104 2.707 -2.869 1.00 0.00 C ATOM 987 CG2 VAL A 167 8.254 3.648 -2.048 1.00 0.00 C ATOM 0 H VAL A 167 9.835 1.258 -3.885 1.00 0.00 H new ATOM 0 HA VAL A 167 7.962 1.022 -1.624 1.00 0.00 H new ATOM 0 HB VAL A 167 7.898 2.886 -4.009 1.00 0.00 H new ATOM 0 HG11 VAL A 167 5.767 3.720 -3.087 1.00 0.00 H new ATOM 0 HG12 VAL A 167 5.654 2.014 -3.580 1.00 0.00 H new ATOM 0 HG13 VAL A 167 5.804 2.435 -1.857 1.00 0.00 H new ATOM 0 HG21 VAL A 167 7.880 4.646 -2.278 1.00 0.00 H new ATOM 0 HG22 VAL A 167 8.004 3.395 -1.018 1.00 0.00 H new ATOM 0 HG23 VAL A 167 9.336 3.629 -2.174 1.00 0.00 H new ATOM 997 N THR A 168 6.741 -0.721 -2.842 1.00 0.00 N ATOM 998 CA THR A 168 5.905 -1.694 -3.481 1.00 0.00 C ATOM 999 C THR A 168 4.451 -1.275 -3.375 1.00 0.00 C ATOM 1000 O THR A 168 3.989 -0.861 -2.319 1.00 0.00 O ATOM 1001 CB THR A 168 6.097 -3.087 -2.864 1.00 0.00 C ATOM 1002 OG1 THR A 168 7.384 -3.604 -3.219 1.00 0.00 O ATOM 1003 CG2 THR A 168 4.995 -4.040 -3.309 1.00 0.00 C ATOM 0 H THR A 168 6.807 -0.826 -1.830 1.00 0.00 H new ATOM 0 HA THR A 168 6.191 -1.749 -4.531 1.00 0.00 H new ATOM 0 HB THR A 168 6.039 -2.995 -1.779 1.00 0.00 H new ATOM 0 HG1 THR A 168 7.314 -4.109 -4.056 1.00 0.00 H new ATOM 0 HG21 THR A 168 5.156 -5.019 -2.857 1.00 0.00 H new ATOM 0 HG22 THR A 168 4.027 -3.650 -2.994 1.00 0.00 H new ATOM 0 HG23 THR A 168 5.012 -4.134 -4.395 1.00 0.00 H new ATOM 1011 N HIS A 169 3.742 -1.358 -4.478 1.00 0.00 N ATOM 1012 CA HIS A 169 2.342 -0.998 -4.494 1.00 0.00 C ATOM 1013 C HIS A 169 1.520 -2.258 -4.692 1.00 0.00 C ATOM 1014 O HIS A 169 1.648 -2.909 -5.712 1.00 0.00 O ATOM 1015 CB HIS A 169 2.050 -0.004 -5.623 1.00 0.00 C ATOM 1016 CG HIS A 169 3.025 1.135 -5.729 1.00 0.00 C ATOM 1017 ND1 HIS A 169 2.722 2.425 -5.356 1.00 0.00 N ATOM 1018 CD2 HIS A 169 4.284 1.176 -6.225 1.00 0.00 C ATOM 1019 CE1 HIS A 169 3.748 3.212 -5.629 1.00 0.00 C ATOM 1020 NE2 HIS A 169 4.710 2.478 -6.158 1.00 0.00 N ATOM 0 H HIS A 169 4.111 -1.672 -5.376 1.00 0.00 H new ATOM 0 HA HIS A 169 2.081 -0.522 -3.549 1.00 0.00 H new ATOM 0 HB2 HIS A 169 2.040 -0.544 -6.570 1.00 0.00 H new ATOM 0 HB3 HIS A 169 1.050 0.405 -5.478 1.00 0.00 H new ATOM 0 HD2 HIS A 169 4.849 0.337 -6.604 1.00 0.00 H new ATOM 0 HE1 HIS A 169 3.792 4.276 -5.450 1.00 0.00 H new ATOM 0 HE2 HIS A 169 5.619 2.822 -6.466 1.00 0.00 H new ATOM 1029 N VAL A 170 0.686 -2.598 -3.731 1.00 0.00 N ATOM 1030 CA VAL A 170 -0.097 -3.822 -3.803 1.00 0.00 C ATOM 1031 C VAL A 170 -1.492 -3.485 -4.304 1.00 0.00 C ATOM 1032 O VAL A 170 -2.099 -2.505 -3.874 1.00 0.00 O ATOM 1033 CB VAL A 170 -0.160 -4.554 -2.425 1.00 0.00 C ATOM 1034 CG1 VAL A 170 0.987 -4.119 -1.529 1.00 0.00 C ATOM 1035 CG2 VAL A 170 -1.500 -4.383 -1.720 1.00 0.00 C ATOM 0 H VAL A 170 0.530 -2.045 -2.888 1.00 0.00 H new ATOM 0 HA VAL A 170 0.387 -4.508 -4.498 1.00 0.00 H new ATOM 0 HB VAL A 170 -0.057 -5.619 -2.634 1.00 0.00 H new ATOM 0 HG11 VAL A 170 0.922 -4.642 -0.575 1.00 0.00 H new ATOM 0 HG12 VAL A 170 1.935 -4.358 -2.010 1.00 0.00 H new ATOM 0 HG13 VAL A 170 0.928 -3.044 -1.358 1.00 0.00 H new ATOM 0 HG21 VAL A 170 -1.481 -4.915 -0.769 1.00 0.00 H new ATOM 0 HG22 VAL A 170 -1.684 -3.324 -1.540 1.00 0.00 H new ATOM 0 HG23 VAL A 170 -2.295 -4.788 -2.346 1.00 0.00 H new ATOM 1045 N MET A 171 -1.973 -4.259 -5.251 1.00 0.00 N ATOM 1046 CA MET A 171 -3.246 -3.972 -5.874 1.00 0.00 C ATOM 1047 C MET A 171 -4.397 -4.418 -4.978 1.00 0.00 C ATOM 1048 O MET A 171 -4.510 -5.595 -4.638 1.00 0.00 O ATOM 1049 CB MET A 171 -3.327 -4.653 -7.240 1.00 0.00 C ATOM 1050 CG MET A 171 -4.529 -4.233 -8.069 1.00 0.00 C ATOM 1051 SD MET A 171 -4.579 -2.461 -8.401 1.00 0.00 S ATOM 1052 CE MET A 171 -3.027 -2.215 -9.268 1.00 0.00 C ATOM 0 H MET A 171 -1.503 -5.091 -5.606 1.00 0.00 H new ATOM 0 HA MET A 171 -3.330 -2.895 -6.017 1.00 0.00 H new ATOM 0 HB2 MET A 171 -2.418 -4.432 -7.799 1.00 0.00 H new ATOM 0 HB3 MET A 171 -3.358 -5.733 -7.095 1.00 0.00 H new ATOM 0 HG2 MET A 171 -4.516 -4.773 -9.016 1.00 0.00 H new ATOM 0 HG3 MET A 171 -5.441 -4.524 -7.548 1.00 0.00 H new ATOM 0 HE1 MET A 171 -3.044 -1.252 -9.779 1.00 0.00 H new ATOM 0 HE2 MET A 171 -2.204 -2.232 -8.553 1.00 0.00 H new ATOM 0 HE3 MET A 171 -2.889 -3.011 -9.999 1.00 0.00 H new ATOM 1062 N ILE A 172 -5.228 -3.469 -4.581 1.00 0.00 N ATOM 1063 CA ILE A 172 -6.401 -3.763 -3.776 1.00 0.00 C ATOM 1064 C ILE A 172 -7.624 -3.808 -4.677 1.00 0.00 C ATOM 1065 O ILE A 172 -8.087 -2.771 -5.158 1.00 0.00 O ATOM 1066 CB ILE A 172 -6.643 -2.699 -2.679 1.00 0.00 C ATOM 1067 CG1 ILE A 172 -5.358 -2.407 -1.898 1.00 0.00 C ATOM 1068 CG2 ILE A 172 -7.744 -3.156 -1.733 1.00 0.00 C ATOM 1069 CD1 ILE A 172 -5.534 -1.364 -0.810 1.00 0.00 C ATOM 0 H ILE A 172 -5.110 -2.481 -4.805 1.00 0.00 H new ATOM 0 HA ILE A 172 -6.230 -4.722 -3.288 1.00 0.00 H new ATOM 0 HB ILE A 172 -6.957 -1.777 -3.168 1.00 0.00 H new ATOM 0 HG12 ILE A 172 -4.998 -3.332 -1.448 1.00 0.00 H new ATOM 0 HG13 ILE A 172 -4.589 -2.069 -2.593 1.00 0.00 H new ATOM 0 HG21 ILE A 172 -7.903 -2.397 -0.967 1.00 0.00 H new ATOM 0 HG22 ILE A 172 -8.667 -3.305 -2.294 1.00 0.00 H new ATOM 0 HG23 ILE A 172 -7.452 -4.094 -1.260 1.00 0.00 H new ATOM 0 HD11 ILE A 172 -4.584 -1.208 -0.299 1.00 0.00 H new ATOM 0 HD12 ILE A 172 -5.865 -0.426 -1.255 1.00 0.00 H new ATOM 0 HD13 ILE A 172 -6.280 -1.708 -0.093 1.00 0.00 H new ATOM 1081 N ARG A 173 -8.136 -5.000 -4.915 1.00 0.00 N ATOM 1082 CA ARG A 173 -9.309 -5.158 -5.755 1.00 0.00 C ATOM 1083 C ARG A 173 -10.534 -4.608 -5.047 1.00 0.00 C ATOM 1084 O ARG A 173 -10.823 -4.977 -3.908 1.00 0.00 O ATOM 1085 CB ARG A 173 -9.520 -6.628 -6.136 1.00 0.00 C ATOM 1086 CG ARG A 173 -9.629 -7.568 -4.948 1.00 0.00 C ATOM 1087 CD ARG A 173 -9.672 -9.023 -5.382 1.00 0.00 C ATOM 1088 NE ARG A 173 -8.481 -9.404 -6.141 1.00 0.00 N ATOM 1089 CZ ARG A 173 -7.775 -10.511 -5.920 1.00 0.00 C ATOM 1090 NH1 ARG A 173 -8.064 -11.300 -4.892 1.00 0.00 N1+ ATOM 1091 NH2 ARG A 173 -6.748 -10.812 -6.706 1.00 0.00 N ATOM 0 H ARG A 173 -7.760 -5.871 -4.540 1.00 0.00 H new ATOM 0 HA ARG A 173 -9.151 -4.595 -6.675 1.00 0.00 H new ATOM 0 HB2 ARG A 173 -10.427 -6.710 -6.735 1.00 0.00 H new ATOM 0 HB3 ARG A 173 -8.692 -6.951 -6.766 1.00 0.00 H new ATOM 0 HG2 ARG A 173 -8.780 -7.412 -4.282 1.00 0.00 H new ATOM 0 HG3 ARG A 173 -10.528 -7.332 -4.379 1.00 0.00 H new ATOM 0 HD2 ARG A 173 -9.761 -9.661 -4.503 1.00 0.00 H new ATOM 0 HD3 ARG A 173 -10.560 -9.194 -5.991 1.00 0.00 H new ATOM 0 HE ARG A 173 -8.171 -8.782 -6.888 1.00 0.00 H new ATOM 0 HH11 ARG A 173 -8.832 -11.060 -4.265 1.00 0.00 H new ATOM 0 HH12 ARG A 173 -7.518 -12.146 -4.730 1.00 0.00 H new ATOM 0 HH21 ARG A 173 -6.500 -10.195 -7.479 1.00 0.00 H new ATOM 0 HH22 ARG A 173 -6.207 -11.660 -6.536 1.00 0.00 H new ATOM 1105 N CYS A 174 -11.228 -3.701 -5.711 1.00 0.00 N ATOM 1106 CA CYS A 174 -12.438 -3.125 -5.166 1.00 0.00 C ATOM 1107 C CYS A 174 -13.612 -3.449 -6.071 1.00 0.00 C ATOM 1108 O CYS A 174 -13.657 -3.032 -7.229 1.00 0.00 O ATOM 1109 CB CYS A 174 -12.300 -1.612 -4.996 1.00 0.00 C ATOM 1110 SG CYS A 174 -13.707 -0.842 -4.156 1.00 0.00 S ATOM 0 H CYS A 174 -10.970 -3.348 -6.633 1.00 0.00 H new ATOM 0 HA CYS A 174 -12.613 -3.557 -4.181 1.00 0.00 H new ATOM 0 HB2 CYS A 174 -11.391 -1.400 -4.432 1.00 0.00 H new ATOM 0 HB3 CYS A 174 -12.180 -1.155 -5.978 1.00 0.00 H new ATOM 0 HG CYS A 174 -13.342 -0.444 -2.973 1.00 0.00 H new ATOM 1116 N GLN A 175 -14.546 -4.217 -5.541 1.00 0.00 N ATOM 1117 CA GLN A 175 -15.726 -4.616 -6.286 1.00 0.00 C ATOM 1118 C GLN A 175 -16.947 -4.611 -5.377 1.00 0.00 C ATOM 1119 O GLN A 175 -17.037 -5.406 -4.439 1.00 0.00 O ATOM 1120 CB GLN A 175 -15.514 -5.999 -6.913 1.00 0.00 C ATOM 1121 CG GLN A 175 -14.955 -7.037 -5.950 1.00 0.00 C ATOM 1122 CD GLN A 175 -14.642 -8.354 -6.629 1.00 0.00 C ATOM 1123 OE1 GLN A 175 -15.296 -8.742 -7.595 1.00 0.00 O ATOM 1124 NE2 GLN A 175 -13.630 -9.048 -6.135 1.00 0.00 N ATOM 0 H GLN A 175 -14.509 -4.580 -4.588 1.00 0.00 H new ATOM 0 HA GLN A 175 -15.897 -3.901 -7.090 1.00 0.00 H new ATOM 0 HB2 GLN A 175 -16.465 -6.358 -7.306 1.00 0.00 H new ATOM 0 HB3 GLN A 175 -14.835 -5.902 -7.760 1.00 0.00 H new ATOM 0 HG2 GLN A 175 -14.048 -6.647 -5.487 1.00 0.00 H new ATOM 0 HG3 GLN A 175 -15.674 -7.208 -5.149 1.00 0.00 H new ATOM 0 HE21 GLN A 175 -13.111 -8.692 -5.332 1.00 0.00 H new ATOM 0 HE22 GLN A 175 -13.368 -9.939 -6.557 1.00 0.00 H new ATOM 1133 N GLU A 176 -17.866 -3.691 -5.650 1.00 0.00 N ATOM 1134 CA GLU A 176 -19.074 -3.528 -4.848 1.00 0.00 C ATOM 1135 C GLU A 176 -18.728 -3.193 -3.403 1.00 0.00 C ATOM 1136 O GLU A 176 -19.228 -3.822 -2.468 1.00 0.00 O ATOM 1137 CB GLU A 176 -19.947 -4.775 -4.921 1.00 0.00 C ATOM 1138 CG GLU A 176 -20.551 -4.985 -6.293 1.00 0.00 C ATOM 1139 CD GLU A 176 -21.367 -3.795 -6.747 1.00 0.00 C ATOM 1140 OE1 GLU A 176 -20.819 -2.923 -7.453 1.00 0.00 O ATOM 1141 OE2 GLU A 176 -22.562 -3.725 -6.395 1.00 0.00 O1- ATOM 0 H GLU A 176 -17.795 -3.039 -6.431 1.00 0.00 H new ATOM 0 HA GLU A 176 -19.641 -2.693 -5.261 1.00 0.00 H new ATOM 0 HB2 GLU A 176 -19.351 -5.647 -4.654 1.00 0.00 H new ATOM 0 HB3 GLU A 176 -20.747 -4.698 -4.184 1.00 0.00 H new ATOM 0 HG2 GLU A 176 -19.755 -5.174 -7.013 1.00 0.00 H new ATOM 0 HG3 GLU A 176 -21.184 -5.872 -6.278 1.00 0.00 H new ATOM 1148 N LEU A 177 -17.859 -2.197 -3.242 1.00 0.00 N ATOM 1149 CA LEU A 177 -17.420 -1.739 -1.927 1.00 0.00 C ATOM 1150 C LEU A 177 -16.777 -2.876 -1.144 1.00 0.00 C ATOM 1151 O LEU A 177 -17.094 -3.107 0.023 1.00 0.00 O ATOM 1152 CB LEU A 177 -18.593 -1.149 -1.142 1.00 0.00 C ATOM 1153 CG LEU A 177 -19.278 0.048 -1.805 1.00 0.00 C ATOM 1154 CD1 LEU A 177 -20.503 0.467 -1.010 1.00 0.00 C ATOM 1155 CD2 LEU A 177 -18.304 1.208 -1.927 1.00 0.00 C ATOM 0 H LEU A 177 -17.440 -1.686 -4.019 1.00 0.00 H new ATOM 0 HA LEU A 177 -16.673 -0.958 -2.074 1.00 0.00 H new ATOM 0 HB2 LEU A 177 -19.335 -1.932 -0.984 1.00 0.00 H new ATOM 0 HB3 LEU A 177 -18.236 -0.845 -0.158 1.00 0.00 H new ATOM 0 HG LEU A 177 -19.600 -0.245 -2.804 1.00 0.00 H new ATOM 0 HD11 LEU A 177 -20.978 1.319 -1.496 1.00 0.00 H new ATOM 0 HD12 LEU A 177 -21.208 -0.363 -0.963 1.00 0.00 H new ATOM 0 HD13 LEU A 177 -20.203 0.746 0.000 1.00 0.00 H new ATOM 0 HD21 LEU A 177 -18.803 2.054 -2.400 1.00 0.00 H new ATOM 0 HD22 LEU A 177 -17.959 1.499 -0.935 1.00 0.00 H new ATOM 0 HD23 LEU A 177 -17.451 0.904 -2.534 1.00 0.00 H new ATOM 1167 N LYS A 178 -15.882 -3.592 -1.799 1.00 0.00 N ATOM 1168 CA LYS A 178 -15.172 -4.688 -1.166 1.00 0.00 C ATOM 1169 C LYS A 178 -13.694 -4.579 -1.500 1.00 0.00 C ATOM 1170 O LYS A 178 -13.337 -4.397 -2.659 1.00 0.00 O ATOM 1171 CB LYS A 178 -15.723 -6.029 -1.658 1.00 0.00 C ATOM 1172 CG LYS A 178 -15.345 -7.209 -0.782 1.00 0.00 C ATOM 1173 CD LYS A 178 -16.176 -7.261 0.495 1.00 0.00 C ATOM 1174 CE LYS A 178 -17.656 -7.451 0.191 1.00 0.00 C ATOM 1175 NZ LYS A 178 -18.442 -7.789 1.407 1.00 0.00 N1+ ATOM 0 H LYS A 178 -15.629 -3.433 -2.774 1.00 0.00 H new ATOM 0 HA LYS A 178 -15.309 -4.634 -0.086 1.00 0.00 H new ATOM 0 HB2 LYS A 178 -16.810 -5.965 -1.715 1.00 0.00 H new ATOM 0 HB3 LYS A 178 -15.361 -6.210 -2.670 1.00 0.00 H new ATOM 0 HG2 LYS A 178 -15.482 -8.134 -1.341 1.00 0.00 H new ATOM 0 HG3 LYS A 178 -14.288 -7.145 -0.524 1.00 0.00 H new ATOM 0 HD2 LYS A 178 -15.825 -8.078 1.125 1.00 0.00 H new ATOM 0 HD3 LYS A 178 -16.035 -6.339 1.060 1.00 0.00 H new ATOM 0 HE2 LYS A 178 -18.053 -6.539 -0.254 1.00 0.00 H new ATOM 0 HE3 LYS A 178 -17.774 -8.244 -0.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 178 -19.151 -8.512 1.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 178 -17.804 -8.156 2.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 178 -18.921 -6.936 1.759 1.00 0.00 H new ATOM 1189 N TYR A 179 -12.846 -4.698 -0.492 1.00 0.00 N ATOM 1190 CA TYR A 179 -11.414 -4.508 -0.669 1.00 0.00 C ATOM 1191 C TYR A 179 -10.658 -5.787 -0.347 1.00 0.00 C ATOM 1192 O TYR A 179 -10.934 -6.439 0.663 1.00 0.00 O ATOM 1193 CB TYR A 179 -10.922 -3.375 0.233 1.00 0.00 C ATOM 1194 CG TYR A 179 -11.667 -2.072 0.040 1.00 0.00 C ATOM 1195 CD1 TYR A 179 -11.279 -1.167 -0.936 1.00 0.00 C ATOM 1196 CD2 TYR A 179 -12.757 -1.749 0.839 1.00 0.00 C ATOM 1197 CE1 TYR A 179 -11.956 0.024 -1.111 1.00 0.00 C ATOM 1198 CE2 TYR A 179 -13.440 -0.561 0.667 1.00 0.00 C ATOM 1199 CZ TYR A 179 -13.034 0.323 -0.309 1.00 0.00 C ATOM 1200 OH TYR A 179 -13.706 1.512 -0.479 1.00 0.00 O ATOM 0 H TYR A 179 -13.125 -4.926 0.462 1.00 0.00 H new ATOM 0 HA TYR A 179 -11.228 -4.247 -1.711 1.00 0.00 H new ATOM 0 HB2 TYR A 179 -11.016 -3.685 1.274 1.00 0.00 H new ATOM 0 HB3 TYR A 179 -9.862 -3.208 0.044 1.00 0.00 H new ATOM 0 HD1 TYR A 179 -10.435 -1.397 -1.569 1.00 0.00 H new ATOM 0 HD2 TYR A 179 -13.075 -2.438 1.607 1.00 0.00 H new ATOM 0 HE1 TYR A 179 -11.640 0.719 -1.875 1.00 0.00 H new ATOM 0 HE2 TYR A 179 -14.288 -0.326 1.294 1.00 0.00 H new ATOM 0 HH TYR A 179 -14.646 1.396 -0.226 1.00 0.00 H new ATOM 1210 N ASP A 180 -9.717 -6.149 -1.214 1.00 0.00 N ATOM 1211 CA ASP A 180 -8.903 -7.340 -1.006 1.00 0.00 C ATOM 1212 C ASP A 180 -7.574 -7.231 -1.753 1.00 0.00 C ATOM 1213 O ASP A 180 -7.540 -6.870 -2.929 1.00 0.00 O ATOM 1214 CB ASP A 180 -9.685 -8.570 -1.476 1.00 0.00 C ATOM 1215 CG ASP A 180 -8.876 -9.848 -1.458 1.00 0.00 C ATOM 1216 OD1 ASP A 180 -8.980 -10.623 -2.431 1.00 0.00 O ATOM 1217 OD2 ASP A 180 -8.134 -10.085 -0.486 1.00 0.00 O1- ATOM 0 H ASP A 180 -9.500 -5.634 -2.067 1.00 0.00 H new ATOM 0 HA ASP A 180 -8.677 -7.437 0.056 1.00 0.00 H new ATOM 0 HB2 ASP A 180 -10.562 -8.697 -0.841 1.00 0.00 H new ATOM 0 HB3 ASP A 180 -10.047 -8.394 -2.489 1.00 0.00 H new ATOM 1222 N VAL A 181 -6.479 -7.520 -1.060 1.00 0.00 N ATOM 1223 CA VAL A 181 -5.161 -7.548 -1.690 1.00 0.00 C ATOM 1224 C VAL A 181 -4.956 -8.908 -2.361 1.00 0.00 C ATOM 1225 O VAL A 181 -4.095 -9.080 -3.229 1.00 0.00 O ATOM 1226 CB VAL A 181 -4.029 -7.266 -0.658 1.00 0.00 C ATOM 1227 CG1 VAL A 181 -2.659 -7.554 -1.217 1.00 0.00 C ATOM 1228 CG2 VAL A 181 -4.059 -5.832 -0.182 1.00 0.00 C ATOM 0 H VAL A 181 -6.476 -7.738 -0.064 1.00 0.00 H new ATOM 0 HA VAL A 181 -5.114 -6.759 -2.441 1.00 0.00 H new ATOM 0 HB VAL A 181 -4.218 -7.938 0.179 1.00 0.00 H new ATOM 0 HG11 VAL A 181 -1.905 -7.342 -0.459 1.00 0.00 H new ATOM 0 HG12 VAL A 181 -2.597 -8.603 -1.506 1.00 0.00 H new ATOM 0 HG13 VAL A 181 -2.483 -6.926 -2.090 1.00 0.00 H new ATOM 0 HG21 VAL A 181 -3.256 -5.670 0.537 1.00 0.00 H new ATOM 0 HG22 VAL A 181 -3.925 -5.163 -1.032 1.00 0.00 H new ATOM 0 HG23 VAL A 181 -5.018 -5.626 0.293 1.00 0.00 H new ATOM 1238 N GLY A 182 -5.798 -9.858 -1.985 1.00 0.00 N ATOM 1239 CA GLY A 182 -5.716 -11.195 -2.527 1.00 0.00 C ATOM 1240 C GLY A 182 -5.536 -12.232 -1.441 1.00 0.00 C ATOM 1241 O GLY A 182 -5.292 -13.406 -1.728 1.00 0.00 O ATOM 0 H GLY A 182 -6.546 -9.722 -1.305 1.00 0.00 H new ATOM 0 HA2 GLY A 182 -6.622 -11.414 -3.092 1.00 0.00 H new ATOM 0 HA3 GLY A 182 -4.882 -11.253 -3.227 1.00 0.00 H new ATOM 1245 N GLY A 183 -5.656 -11.803 -0.191 1.00 0.00 N ATOM 1246 CA GLY A 183 -5.395 -12.697 0.921 1.00 0.00 C ATOM 1247 C GLY A 183 -6.414 -12.589 2.032 1.00 0.00 C ATOM 1248 O GLY A 183 -6.868 -11.492 2.365 1.00 0.00 O ATOM 0 H GLY A 183 -5.928 -10.856 0.072 1.00 0.00 H new ATOM 0 HA2 GLY A 183 -5.375 -13.724 0.555 1.00 0.00 H new ATOM 0 HA3 GLY A 183 -4.405 -12.483 1.324 1.00 0.00 H new ATOM 1252 N GLY A 184 -6.758 -13.726 2.616 1.00 0.00 N ATOM 1253 CA GLY A 184 -7.653 -13.739 3.753 1.00 0.00 C ATOM 1254 C GLY A 184 -9.082 -13.408 3.381 1.00 0.00 C ATOM 1255 O GLY A 184 -9.516 -13.664 2.256 1.00 0.00 O ATOM 0 H GLY A 184 -6.431 -14.646 2.320 1.00 0.00 H new ATOM 0 HA2 GLY A 184 -7.623 -14.723 4.221 1.00 0.00 H new ATOM 0 HA3 GLY A 184 -7.301 -13.022 4.495 1.00 0.00 H new ATOM 1259 N GLU A 185 -9.818 -12.846 4.329 1.00 0.00 N ATOM 1260 CA GLU A 185 -11.199 -12.455 4.093 1.00 0.00 C ATOM 1261 C GLU A 185 -11.269 -11.081 3.449 1.00 0.00 C ATOM 1262 O GLU A 185 -10.462 -10.201 3.749 1.00 0.00 O ATOM 1263 CB GLU A 185 -11.982 -12.452 5.407 1.00 0.00 C ATOM 1264 CG GLU A 185 -12.244 -13.843 5.951 1.00 0.00 C ATOM 1265 CD GLU A 185 -13.047 -14.692 4.991 1.00 0.00 C ATOM 1266 OE1 GLU A 185 -12.445 -15.514 4.265 1.00 0.00 O ATOM 1267 OE2 GLU A 185 -14.286 -14.537 4.942 1.00 0.00 O1- ATOM 0 H GLU A 185 -9.480 -12.650 5.271 1.00 0.00 H new ATOM 0 HA GLU A 185 -11.645 -13.181 3.413 1.00 0.00 H new ATOM 0 HB2 GLU A 185 -11.430 -11.877 6.150 1.00 0.00 H new ATOM 0 HB3 GLU A 185 -12.934 -11.944 5.254 1.00 0.00 H new ATOM 0 HG2 GLU A 185 -11.294 -14.334 6.160 1.00 0.00 H new ATOM 0 HG3 GLU A 185 -12.778 -13.766 6.898 1.00 0.00 H new ATOM 1274 N ARG A 186 -12.236 -10.913 2.559 1.00 0.00 N ATOM 1275 CA ARG A 186 -12.459 -9.635 1.900 1.00 0.00 C ATOM 1276 C ARG A 186 -13.208 -8.704 2.836 1.00 0.00 C ATOM 1277 O ARG A 186 -14.161 -9.118 3.498 1.00 0.00 O ATOM 1278 CB ARG A 186 -13.261 -9.819 0.614 1.00 0.00 C ATOM 1279 CG ARG A 186 -12.594 -10.714 -0.410 1.00 0.00 C ATOM 1280 CD ARG A 186 -13.438 -10.822 -1.665 1.00 0.00 C ATOM 1281 NE ARG A 186 -12.795 -11.628 -2.695 1.00 0.00 N ATOM 1282 CZ ARG A 186 -13.323 -11.868 -3.893 1.00 0.00 C ATOM 1283 NH1 ARG A 186 -14.523 -11.391 -4.206 1.00 0.00 N1+ ATOM 1284 NH2 ARG A 186 -12.650 -12.592 -4.775 1.00 0.00 N ATOM 0 H ARG A 186 -12.882 -11.650 2.276 1.00 0.00 H new ATOM 0 HA ARG A 186 -11.491 -9.204 1.646 1.00 0.00 H new ATOM 0 HB2 ARG A 186 -14.237 -10.236 0.864 1.00 0.00 H new ATOM 0 HB3 ARG A 186 -13.437 -8.841 0.166 1.00 0.00 H new ATOM 0 HG2 ARG A 186 -11.611 -10.316 -0.661 1.00 0.00 H new ATOM 0 HG3 ARG A 186 -12.438 -11.706 0.015 1.00 0.00 H new ATOM 0 HD2 ARG A 186 -14.404 -11.260 -1.414 1.00 0.00 H new ATOM 0 HD3 ARG A 186 -13.633 -9.824 -2.057 1.00 0.00 H new ATOM 0 HE ARG A 186 -11.883 -12.034 -2.485 1.00 0.00 H new ATOM 0 HH11 ARG A 186 -15.045 -10.837 -3.527 1.00 0.00 H new ATOM 0 HH12 ARG A 186 -14.922 -11.578 -5.126 1.00 0.00 H new ATOM 0 HH21 ARG A 186 -11.731 -12.963 -4.535 1.00 0.00 H new ATOM 0 HH22 ARG A 186 -13.051 -12.778 -5.694 1.00 0.00 H new ATOM 1298 N PHE A 187 -12.794 -7.451 2.887 1.00 0.00 N ATOM 1299 CA PHE A 187 -13.377 -6.510 3.826 1.00 0.00 C ATOM 1300 C PHE A 187 -14.206 -5.451 3.117 1.00 0.00 C ATOM 1301 O PHE A 187 -13.933 -5.088 1.973 1.00 0.00 O ATOM 1302 CB PHE A 187 -12.283 -5.857 4.664 1.00 0.00 C ATOM 1303 CG PHE A 187 -11.568 -6.834 5.551 1.00 0.00 C ATOM 1304 CD1 PHE A 187 -10.286 -7.257 5.247 1.00 0.00 C ATOM 1305 CD2 PHE A 187 -12.186 -7.338 6.684 1.00 0.00 C ATOM 1306 CE1 PHE A 187 -9.632 -8.161 6.058 1.00 0.00 C ATOM 1307 CE2 PHE A 187 -11.537 -8.242 7.499 1.00 0.00 C ATOM 1308 CZ PHE A 187 -10.258 -8.654 7.187 1.00 0.00 C ATOM 0 H PHE A 187 -12.061 -7.063 2.293 1.00 0.00 H new ATOM 0 HA PHE A 187 -14.046 -7.066 4.483 1.00 0.00 H new ATOM 0 HB2 PHE A 187 -11.561 -5.379 4.002 1.00 0.00 H new ATOM 0 HB3 PHE A 187 -12.722 -5.071 5.278 1.00 0.00 H new ATOM 0 HD1 PHE A 187 -9.792 -6.875 4.366 1.00 0.00 H new ATOM 0 HD2 PHE A 187 -13.188 -7.019 6.932 1.00 0.00 H new ATOM 0 HE1 PHE A 187 -8.631 -8.483 5.811 1.00 0.00 H new ATOM 0 HE2 PHE A 187 -12.029 -8.627 8.380 1.00 0.00 H new ATOM 0 HZ PHE A 187 -9.747 -9.361 7.824 1.00 0.00 H new ATOM 1318 N ASP A 188 -15.225 -4.969 3.816 1.00 0.00 N ATOM 1319 CA ASP A 188 -16.148 -3.975 3.277 1.00 0.00 C ATOM 1320 C ASP A 188 -15.584 -2.573 3.445 1.00 0.00 C ATOM 1321 O ASP A 188 -16.126 -1.603 2.915 1.00 0.00 O ATOM 1322 CB ASP A 188 -17.500 -4.066 3.992 1.00 0.00 C ATOM 1323 CG ASP A 188 -18.182 -5.401 3.788 1.00 0.00 C ATOM 1324 OD1 ASP A 188 -18.885 -5.564 2.771 1.00 0.00 O ATOM 1325 OD2 ASP A 188 -18.017 -6.296 4.645 1.00 0.00 O1- ATOM 0 H ASP A 188 -15.436 -5.255 4.772 1.00 0.00 H new ATOM 0 HA ASP A 188 -16.284 -4.179 2.215 1.00 0.00 H new ATOM 0 HB2 ASP A 188 -17.354 -3.897 5.059 1.00 0.00 H new ATOM 0 HB3 ASP A 188 -18.152 -3.271 3.630 1.00 0.00 H new ATOM 1330 N SER A 189 -14.503 -2.477 4.197 1.00 0.00 N ATOM 1331 CA SER A 189 -13.862 -1.204 4.465 1.00 0.00 C ATOM 1332 C SER A 189 -12.347 -1.348 4.383 1.00 0.00 C ATOM 1333 O SER A 189 -11.784 -2.370 4.780 1.00 0.00 O ATOM 1334 CB SER A 189 -14.291 -0.703 5.843 1.00 0.00 C ATOM 1335 OG SER A 189 -14.667 -1.790 6.673 1.00 0.00 O ATOM 0 H SER A 189 -14.047 -3.276 4.637 1.00 0.00 H new ATOM 0 HA SER A 189 -14.169 -0.475 3.715 1.00 0.00 H new ATOM 0 HB2 SER A 189 -13.474 -0.150 6.306 1.00 0.00 H new ATOM 0 HB3 SER A 189 -15.126 -0.010 5.741 1.00 0.00 H new ATOM 0 HG SER A 189 -14.092 -1.810 7.466 1.00 0.00 H new ATOM 1341 N LEU A 190 -11.697 -0.311 3.865 1.00 0.00 N ATOM 1342 CA LEU A 190 -10.263 -0.343 3.615 1.00 0.00 C ATOM 1343 C LEU A 190 -9.470 -0.316 4.916 1.00 0.00 C ATOM 1344 O LEU A 190 -8.321 -0.749 4.954 1.00 0.00 O ATOM 1345 CB LEU A 190 -9.852 0.826 2.716 1.00 0.00 C ATOM 1346 CG LEU A 190 -9.187 0.423 1.397 1.00 0.00 C ATOM 1347 CD1 LEU A 190 -8.853 1.639 0.561 1.00 0.00 C ATOM 1348 CD2 LEU A 190 -7.928 -0.376 1.646 1.00 0.00 C ATOM 0 H LEU A 190 -12.146 0.568 3.609 1.00 0.00 H new ATOM 0 HA LEU A 190 -10.035 -1.279 3.105 1.00 0.00 H new ATOM 0 HB2 LEU A 190 -10.737 1.422 2.493 1.00 0.00 H new ATOM 0 HB3 LEU A 190 -9.167 1.468 3.270 1.00 0.00 H new ATOM 0 HG LEU A 190 -9.899 -0.196 0.852 1.00 0.00 H new ATOM 0 HD11 LEU A 190 -8.382 1.323 -0.370 1.00 0.00 H new ATOM 0 HD12 LEU A 190 -9.767 2.188 0.336 1.00 0.00 H new ATOM 0 HD13 LEU A 190 -8.169 2.283 1.113 1.00 0.00 H new ATOM 0 HD21 LEU A 190 -7.476 -0.649 0.693 1.00 0.00 H new ATOM 0 HD22 LEU A 190 -7.224 0.224 2.223 1.00 0.00 H new ATOM 0 HD23 LEU A 190 -8.175 -1.280 2.203 1.00 0.00 H new ATOM 1360 N THR A 191 -10.081 0.198 5.975 1.00 0.00 N ATOM 1361 CA THR A 191 -9.452 0.195 7.286 1.00 0.00 C ATOM 1362 C THR A 191 -9.190 -1.238 7.740 1.00 0.00 C ATOM 1363 O THR A 191 -8.087 -1.576 8.156 1.00 0.00 O ATOM 1364 CB THR A 191 -10.335 0.923 8.318 1.00 0.00 C ATOM 1365 OG1 THR A 191 -10.734 2.200 7.795 1.00 0.00 O ATOM 1366 CG2 THR A 191 -9.595 1.118 9.634 1.00 0.00 C ATOM 0 H THR A 191 -11.009 0.621 5.951 1.00 0.00 H new ATOM 0 HA THR A 191 -8.502 0.724 7.211 1.00 0.00 H new ATOM 0 HB THR A 191 -11.215 0.309 8.509 1.00 0.00 H new ATOM 0 HG1 THR A 191 -10.015 2.565 7.238 1.00 0.00 H new ATOM 0 HG21 THR A 191 -10.243 1.634 10.343 1.00 0.00 H new ATOM 0 HG22 THR A 191 -9.314 0.147 10.041 1.00 0.00 H new ATOM 0 HG23 THR A 191 -8.698 1.713 9.462 1.00 0.00 H new ATOM 1374 N ASP A 192 -10.205 -2.084 7.616 1.00 0.00 N ATOM 1375 CA ASP A 192 -10.074 -3.494 7.968 1.00 0.00 C ATOM 1376 C ASP A 192 -9.046 -4.169 7.068 1.00 0.00 C ATOM 1377 O ASP A 192 -8.362 -5.106 7.480 1.00 0.00 O ATOM 1378 CB ASP A 192 -11.419 -4.208 7.831 1.00 0.00 C ATOM 1379 CG ASP A 192 -12.483 -3.660 8.758 1.00 0.00 C ATOM 1380 OD1 ASP A 192 -12.790 -4.314 9.775 1.00 0.00 O ATOM 1381 OD2 ASP A 192 -13.019 -2.570 8.474 1.00 0.00 O1- ATOM 0 H ASP A 192 -11.129 -1.819 7.274 1.00 0.00 H new ATOM 0 HA ASP A 192 -9.742 -3.557 9.004 1.00 0.00 H new ATOM 0 HB2 ASP A 192 -11.765 -4.123 6.801 1.00 0.00 H new ATOM 0 HB3 ASP A 192 -11.281 -5.270 8.034 1.00 0.00 H new ATOM 1386 N LEU A 193 -8.945 -3.677 5.838 1.00 0.00 N ATOM 1387 CA LEU A 193 -8.014 -4.215 4.852 1.00 0.00 C ATOM 1388 C LEU A 193 -6.572 -3.974 5.293 1.00 0.00 C ATOM 1389 O LEU A 193 -5.781 -4.912 5.407 1.00 0.00 O ATOM 1390 CB LEU A 193 -8.279 -3.538 3.493 1.00 0.00 C ATOM 1391 CG LEU A 193 -7.585 -4.136 2.252 1.00 0.00 C ATOM 1392 CD1 LEU A 193 -6.074 -3.903 2.267 1.00 0.00 C ATOM 1393 CD2 LEU A 193 -7.910 -5.616 2.132 1.00 0.00 C ATOM 0 H LEU A 193 -9.505 -2.896 5.497 1.00 0.00 H new ATOM 0 HA LEU A 193 -8.163 -5.291 4.760 1.00 0.00 H new ATOM 0 HB2 LEU A 193 -9.354 -3.550 3.315 1.00 0.00 H new ATOM 0 HB3 LEU A 193 -7.981 -2.493 3.574 1.00 0.00 H new ATOM 0 HG LEU A 193 -7.972 -3.619 1.374 1.00 0.00 H new ATOM 0 HD11 LEU A 193 -5.629 -4.342 1.374 1.00 0.00 H new ATOM 0 HD12 LEU A 193 -5.871 -2.832 2.285 1.00 0.00 H new ATOM 0 HD13 LEU A 193 -5.643 -4.369 3.153 1.00 0.00 H new ATOM 0 HD21 LEU A 193 -7.415 -6.027 1.252 1.00 0.00 H new ATOM 0 HD22 LEU A 193 -7.561 -6.139 3.023 1.00 0.00 H new ATOM 0 HD23 LEU A 193 -8.988 -5.745 2.035 1.00 0.00 H new ATOM 1405 N VAL A 194 -6.247 -2.716 5.568 1.00 0.00 N ATOM 1406 CA VAL A 194 -4.873 -2.333 5.869 1.00 0.00 C ATOM 1407 C VAL A 194 -4.405 -2.943 7.189 1.00 0.00 C ATOM 1408 O VAL A 194 -3.294 -3.465 7.282 1.00 0.00 O ATOM 1409 CB VAL A 194 -4.702 -0.793 5.895 1.00 0.00 C ATOM 1410 CG1 VAL A 194 -5.037 -0.193 4.534 1.00 0.00 C ATOM 1411 CG2 VAL A 194 -5.548 -0.147 6.983 1.00 0.00 C ATOM 0 H VAL A 194 -6.915 -1.945 5.589 1.00 0.00 H new ATOM 0 HA VAL A 194 -4.248 -2.727 5.068 1.00 0.00 H new ATOM 0 HB VAL A 194 -3.657 -0.586 6.125 1.00 0.00 H new ATOM 0 HG11 VAL A 194 -4.911 0.889 4.572 1.00 0.00 H new ATOM 0 HG12 VAL A 194 -4.370 -0.609 3.779 1.00 0.00 H new ATOM 0 HG13 VAL A 194 -6.069 -0.429 4.276 1.00 0.00 H new ATOM 0 HG21 VAL A 194 -5.399 0.933 6.967 1.00 0.00 H new ATOM 0 HG22 VAL A 194 -6.600 -0.371 6.807 1.00 0.00 H new ATOM 0 HG23 VAL A 194 -5.252 -0.540 7.956 1.00 0.00 H new ATOM 1421 N GLU A 195 -5.270 -2.900 8.193 1.00 0.00 N ATOM 1422 CA GLU A 195 -4.982 -3.480 9.496 1.00 0.00 C ATOM 1423 C GLU A 195 -4.770 -4.989 9.400 1.00 0.00 C ATOM 1424 O GLU A 195 -3.997 -5.564 10.167 1.00 0.00 O ATOM 1425 CB GLU A 195 -6.134 -3.178 10.444 1.00 0.00 C ATOM 1426 CG GLU A 195 -6.399 -1.694 10.605 1.00 0.00 C ATOM 1427 CD GLU A 195 -5.418 -1.024 11.537 1.00 0.00 C ATOM 1428 OE1 GLU A 195 -5.612 -1.108 12.768 1.00 0.00 O ATOM 1429 OE2 GLU A 195 -4.448 -0.411 11.053 1.00 0.00 O1- ATOM 0 H GLU A 195 -6.189 -2.463 8.127 1.00 0.00 H new ATOM 0 HA GLU A 195 -4.061 -3.038 9.875 1.00 0.00 H new ATOM 0 HB2 GLU A 195 -7.037 -3.664 10.075 1.00 0.00 H new ATOM 0 HB3 GLU A 195 -5.916 -3.610 11.421 1.00 0.00 H new ATOM 0 HG2 GLU A 195 -6.352 -1.213 9.628 1.00 0.00 H new ATOM 0 HG3 GLU A 195 -7.411 -1.549 10.984 1.00 0.00 H new ATOM 1436 N HIS A 196 -5.458 -5.621 8.453 1.00 0.00 N ATOM 1437 CA HIS A 196 -5.385 -7.069 8.297 1.00 0.00 C ATOM 1438 C HIS A 196 -3.978 -7.501 7.908 1.00 0.00 C ATOM 1439 O HIS A 196 -3.378 -8.348 8.563 1.00 0.00 O ATOM 1440 CB HIS A 196 -6.381 -7.544 7.237 1.00 0.00 C ATOM 1441 CG HIS A 196 -6.464 -9.035 7.098 1.00 0.00 C ATOM 1442 ND1 HIS A 196 -5.864 -9.737 6.074 1.00 0.00 N ATOM 1443 CD2 HIS A 196 -7.099 -9.958 7.857 1.00 0.00 C ATOM 1444 CE1 HIS A 196 -6.130 -11.022 6.209 1.00 0.00 C ATOM 1445 NE2 HIS A 196 -6.876 -11.184 7.284 1.00 0.00 N ATOM 0 H HIS A 196 -6.070 -5.154 7.784 1.00 0.00 H new ATOM 0 HA HIS A 196 -5.639 -7.523 9.255 1.00 0.00 H new ATOM 0 HB2 HIS A 196 -7.370 -7.157 7.484 1.00 0.00 H new ATOM 0 HB3 HIS A 196 -6.103 -7.115 6.274 1.00 0.00 H new ATOM 0 HD2 HIS A 196 -7.675 -9.765 8.750 1.00 0.00 H new ATOM 0 HE1 HIS A 196 -5.793 -11.809 5.550 1.00 0.00 H new ATOM 0 HE2 HIS A 196 -7.229 -12.075 7.632 1.00 0.00 H new ATOM 1454 N TYR A 197 -3.437 -6.889 6.866 1.00 0.00 N ATOM 1455 CA TYR A 197 -2.118 -7.270 6.379 1.00 0.00 C ATOM 1456 C TYR A 197 -1.032 -6.620 7.225 1.00 0.00 C ATOM 1457 O TYR A 197 0.152 -6.919 7.083 1.00 0.00 O ATOM 1458 CB TYR A 197 -1.947 -6.891 4.912 1.00 0.00 C ATOM 1459 CG TYR A 197 -2.970 -7.524 4.000 1.00 0.00 C ATOM 1460 CD1 TYR A 197 -4.034 -6.784 3.518 1.00 0.00 C ATOM 1461 CD2 TYR A 197 -2.873 -8.858 3.619 1.00 0.00 C ATOM 1462 CE1 TYR A 197 -4.972 -7.345 2.684 1.00 0.00 C ATOM 1463 CE2 TYR A 197 -3.813 -9.429 2.780 1.00 0.00 C ATOM 1464 CZ TYR A 197 -4.863 -8.664 2.315 1.00 0.00 C ATOM 1465 OH TYR A 197 -5.804 -9.214 1.475 1.00 0.00 O ATOM 0 H TYR A 197 -3.884 -6.134 6.345 1.00 0.00 H new ATOM 0 HA TYR A 197 -2.026 -8.353 6.462 1.00 0.00 H new ATOM 0 HB2 TYR A 197 -2.009 -5.807 4.816 1.00 0.00 H new ATOM 0 HB3 TYR A 197 -0.950 -7.184 4.584 1.00 0.00 H new ATOM 0 HD1 TYR A 197 -4.130 -5.746 3.802 1.00 0.00 H new ATOM 0 HD2 TYR A 197 -2.052 -9.457 3.984 1.00 0.00 H new ATOM 0 HE1 TYR A 197 -5.795 -6.749 2.319 1.00 0.00 H new ATOM 0 HE2 TYR A 197 -3.726 -10.466 2.491 1.00 0.00 H new ATOM 0 HH TYR A 197 -6.282 -9.930 1.943 1.00 0.00 H new ATOM 1475 N LYS A 198 -1.449 -5.718 8.101 1.00 0.00 N ATOM 1476 CA LYS A 198 -0.551 -5.135 9.082 1.00 0.00 C ATOM 1477 C LYS A 198 -0.220 -6.189 10.134 1.00 0.00 C ATOM 1478 O LYS A 198 0.817 -6.133 10.798 1.00 0.00 O ATOM 1479 CB LYS A 198 -1.205 -3.908 9.724 1.00 0.00 C ATOM 1480 CG LYS A 198 -0.233 -2.997 10.452 1.00 0.00 C ATOM 1481 CD LYS A 198 -0.921 -1.744 10.973 1.00 0.00 C ATOM 1482 CE LYS A 198 -1.789 -2.041 12.185 1.00 0.00 C ATOM 1483 NZ LYS A 198 -2.435 -0.811 12.712 1.00 0.00 N1+ ATOM 0 H LYS A 198 -2.408 -5.374 8.151 1.00 0.00 H new ATOM 0 HA LYS A 198 0.371 -4.811 8.600 1.00 0.00 H new ATOM 0 HB2 LYS A 198 -1.714 -3.334 8.950 1.00 0.00 H new ATOM 0 HB3 LYS A 198 -1.968 -4.242 10.426 1.00 0.00 H new ATOM 0 HG2 LYS A 198 0.219 -3.537 11.284 1.00 0.00 H new ATOM 0 HG3 LYS A 198 0.576 -2.715 9.778 1.00 0.00 H new ATOM 0 HD2 LYS A 198 -0.170 -1.000 11.237 1.00 0.00 H new ATOM 0 HD3 LYS A 198 -1.535 -1.311 10.183 1.00 0.00 H new ATOM 0 HE2 LYS A 198 -2.555 -2.767 11.915 1.00 0.00 H new ATOM 0 HE3 LYS A 198 -1.180 -2.496 12.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 198 -3.059 -1.059 13.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 198 -1.704 -0.148 13.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 198 -2.995 -0.363 11.959 1.00 0.00 H new ATOM 1497 N LYS A 199 -1.109 -7.170 10.253 1.00 0.00 N ATOM 1498 CA LYS A 199 -0.934 -8.270 11.164 1.00 0.00 C ATOM 1499 C LYS A 199 -0.327 -9.465 10.420 1.00 0.00 C ATOM 1500 O LYS A 199 0.506 -10.191 10.964 1.00 0.00 O ATOM 1501 CB LYS A 199 -2.300 -8.608 11.780 1.00 0.00 C ATOM 1502 CG LYS A 199 -2.503 -10.073 12.098 1.00 0.00 C ATOM 1503 CD LYS A 199 -1.625 -10.553 13.249 1.00 0.00 C ATOM 1504 CE LYS A 199 -1.981 -9.874 14.564 1.00 0.00 C ATOM 1505 NZ LYS A 199 -1.132 -10.360 15.686 1.00 0.00 N1+ ATOM 0 H LYS A 199 -1.973 -7.214 9.712 1.00 0.00 H new ATOM 0 HA LYS A 199 -0.246 -8.007 11.967 1.00 0.00 H new ATOM 0 HB2 LYS A 199 -2.423 -8.030 12.696 1.00 0.00 H new ATOM 0 HB3 LYS A 199 -3.083 -8.287 11.093 1.00 0.00 H new ATOM 0 HG2 LYS A 199 -3.550 -10.244 12.349 1.00 0.00 H new ATOM 0 HG3 LYS A 199 -2.287 -10.667 11.210 1.00 0.00 H new ATOM 0 HD2 LYS A 199 -1.731 -11.632 13.359 1.00 0.00 H new ATOM 0 HD3 LYS A 199 -0.579 -10.357 13.012 1.00 0.00 H new ATOM 0 HE2 LYS A 199 -1.863 -8.795 14.460 1.00 0.00 H new ATOM 0 HE3 LYS A 199 -3.030 -10.059 14.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 199 -1.405 -9.874 16.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 199 -1.264 -11.385 15.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 199 -0.133 -10.161 15.477 1.00 0.00 H new ATOM 1519 N ASN A 200 -0.727 -9.653 9.169 1.00 0.00 N ATOM 1520 CA ASN A 200 -0.160 -10.713 8.336 1.00 0.00 C ATOM 1521 C ASN A 200 0.464 -10.143 7.066 1.00 0.00 C ATOM 1522 O ASN A 200 -0.238 -9.759 6.133 1.00 0.00 O ATOM 1523 CB ASN A 200 -1.204 -11.788 7.989 1.00 0.00 C ATOM 1524 CG ASN A 200 -2.576 -11.239 7.646 1.00 0.00 C ATOM 1525 OD1 ASN A 200 -2.859 -10.877 6.504 1.00 0.00 O ATOM 1526 ND2 ASN A 200 -3.455 -11.217 8.636 1.00 0.00 N ATOM 0 H ASN A 200 -1.440 -9.088 8.707 1.00 0.00 H new ATOM 0 HA ASN A 200 0.626 -11.191 8.920 1.00 0.00 H new ATOM 0 HB2 ASN A 200 -0.839 -12.373 7.145 1.00 0.00 H new ATOM 0 HB3 ASN A 200 -1.300 -12.471 8.833 1.00 0.00 H new ATOM 0 HD21 ASN A 200 -4.407 -10.891 8.466 1.00 0.00 H new ATOM 0 HD22 ASN A 200 -3.181 -11.526 9.569 1.00 0.00 H new ATOM 1533 N PRO A 201 1.804 -10.068 7.034 1.00 0.00 N ATOM 1534 CA PRO A 201 2.550 -9.565 5.874 1.00 0.00 C ATOM 1535 C PRO A 201 2.261 -10.360 4.606 1.00 0.00 C ATOM 1536 O PRO A 201 2.385 -11.587 4.583 1.00 0.00 O ATOM 1537 CB PRO A 201 4.017 -9.740 6.283 1.00 0.00 C ATOM 1538 CG PRO A 201 3.999 -9.801 7.770 1.00 0.00 C ATOM 1539 CD PRO A 201 2.703 -10.463 8.133 1.00 0.00 C ATOM 0 HA PRO A 201 2.278 -8.536 5.637 1.00 0.00 H new ATOM 0 HB2 PRO A 201 4.440 -10.649 5.856 1.00 0.00 H new ATOM 0 HB3 PRO A 201 4.627 -8.909 5.930 1.00 0.00 H new ATOM 0 HG2 PRO A 201 4.849 -10.369 8.149 1.00 0.00 H new ATOM 0 HG3 PRO A 201 4.064 -8.803 8.204 1.00 0.00 H new ATOM 0 HD2 PRO A 201 2.808 -11.546 8.198 1.00 0.00 H new ATOM 0 HD3 PRO A 201 2.333 -10.120 9.099 1.00 0.00 H new ATOM 1547 N MET A 202 1.881 -9.656 3.552 1.00 0.00 N ATOM 1548 CA MET A 202 1.601 -10.293 2.276 1.00 0.00 C ATOM 1549 C MET A 202 2.885 -10.364 1.440 1.00 0.00 C ATOM 1550 O MET A 202 3.579 -9.359 1.260 1.00 0.00 O ATOM 1551 CB MET A 202 0.485 -9.533 1.539 1.00 0.00 C ATOM 1552 CG MET A 202 0.863 -8.135 1.096 1.00 0.00 C ATOM 1553 SD MET A 202 0.665 -6.909 2.391 1.00 0.00 S ATOM 1554 CE MET A 202 -0.684 -5.959 1.697 1.00 0.00 C ATOM 0 H MET A 202 1.759 -8.643 3.555 1.00 0.00 H new ATOM 0 HA MET A 202 1.251 -11.312 2.444 1.00 0.00 H new ATOM 0 HB2 MET A 202 0.187 -10.110 0.663 1.00 0.00 H new ATOM 0 HB3 MET A 202 -0.386 -9.471 2.191 1.00 0.00 H new ATOM 0 HG2 MET A 202 1.900 -8.135 0.759 1.00 0.00 H new ATOM 0 HG3 MET A 202 0.250 -7.853 0.240 1.00 0.00 H new ATOM 0 HE1 MET A 202 -0.943 -5.146 2.375 1.00 0.00 H new ATOM 0 HE2 MET A 202 -0.381 -5.547 0.735 1.00 0.00 H new ATOM 0 HE3 MET A 202 -1.551 -6.605 1.558 1.00 0.00 H new ATOM 1564 N VAL A 203 3.214 -11.559 0.956 1.00 0.00 N ATOM 1565 CA VAL A 203 4.480 -11.782 0.259 1.00 0.00 C ATOM 1566 C VAL A 203 4.298 -11.767 -1.258 1.00 0.00 C ATOM 1567 O VAL A 203 3.315 -12.281 -1.786 1.00 0.00 O ATOM 1568 CB VAL A 203 5.129 -13.130 0.662 1.00 0.00 C ATOM 1569 CG1 VAL A 203 6.478 -13.302 -0.016 1.00 0.00 C ATOM 1570 CG2 VAL A 203 5.291 -13.247 2.168 1.00 0.00 C ATOM 0 H VAL A 203 2.623 -12.387 1.033 1.00 0.00 H new ATOM 0 HA VAL A 203 5.135 -10.963 0.555 1.00 0.00 H new ATOM 0 HB VAL A 203 4.458 -13.922 0.330 1.00 0.00 H new ATOM 0 HG11 VAL A 203 6.916 -14.255 0.281 1.00 0.00 H new ATOM 0 HG12 VAL A 203 6.346 -13.285 -1.098 1.00 0.00 H new ATOM 0 HG13 VAL A 203 7.141 -12.490 0.282 1.00 0.00 H new ATOM 0 HG21 VAL A 203 5.749 -14.206 2.411 1.00 0.00 H new ATOM 0 HG22 VAL A 203 5.927 -12.439 2.529 1.00 0.00 H new ATOM 0 HG23 VAL A 203 4.313 -13.181 2.645 1.00 0.00 H new ATOM 1580 N GLU A 204 5.250 -11.153 -1.944 1.00 0.00 N ATOM 1581 CA GLU A 204 5.330 -11.197 -3.394 1.00 0.00 C ATOM 1582 C GLU A 204 6.074 -12.432 -3.858 1.00 0.00 C ATOM 1583 O GLU A 204 6.904 -12.982 -3.137 1.00 0.00 O ATOM 1584 CB GLU A 204 6.057 -9.960 -3.913 1.00 0.00 C ATOM 1585 CG GLU A 204 5.122 -8.904 -4.432 1.00 0.00 C ATOM 1586 CD GLU A 204 4.497 -9.326 -5.742 1.00 0.00 C ATOM 1587 OE1 GLU A 204 4.697 -8.623 -6.751 1.00 0.00 O ATOM 1588 OE2 GLU A 204 3.826 -10.379 -5.774 1.00 0.00 O1- ATOM 0 H GLU A 204 5.993 -10.607 -1.507 1.00 0.00 H new ATOM 0 HA GLU A 204 4.313 -11.226 -3.786 1.00 0.00 H new ATOM 0 HB2 GLU A 204 6.663 -9.538 -3.111 1.00 0.00 H new ATOM 0 HB3 GLU A 204 6.741 -10.255 -4.709 1.00 0.00 H new ATOM 0 HG2 GLU A 204 4.340 -8.714 -3.697 1.00 0.00 H new ATOM 0 HG3 GLU A 204 5.665 -7.969 -4.569 1.00 0.00 H new ATOM 1595 N THR A 205 5.796 -12.841 -5.086 1.00 0.00 N ATOM 1596 CA THR A 205 6.453 -14.001 -5.667 1.00 0.00 C ATOM 1597 C THR A 205 7.904 -13.667 -6.003 1.00 0.00 C ATOM 1598 O THR A 205 8.713 -14.549 -6.282 1.00 0.00 O ATOM 1599 CB THR A 205 5.702 -14.501 -6.927 1.00 0.00 C ATOM 1600 OG1 THR A 205 6.330 -15.674 -7.459 1.00 0.00 O ATOM 1601 CG2 THR A 205 5.640 -13.425 -8.001 1.00 0.00 C ATOM 0 H THR A 205 5.120 -12.387 -5.700 1.00 0.00 H new ATOM 0 HA THR A 205 6.437 -14.806 -4.932 1.00 0.00 H new ATOM 0 HB THR A 205 4.684 -14.745 -6.622 1.00 0.00 H new ATOM 0 HG1 THR A 205 7.275 -15.685 -7.199 1.00 0.00 H new ATOM 0 HG21 THR A 205 5.107 -13.809 -8.871 1.00 0.00 H new ATOM 0 HG22 THR A 205 5.117 -12.552 -7.611 1.00 0.00 H new ATOM 0 HG23 THR A 205 6.652 -13.142 -8.292 1.00 0.00 H new ATOM 1609 N LEU A 206 8.226 -12.380 -5.949 1.00 0.00 N ATOM 1610 CA LEU A 206 9.587 -11.916 -6.161 1.00 0.00 C ATOM 1611 C LEU A 206 10.325 -11.844 -4.826 1.00 0.00 C ATOM 1612 O LEU A 206 11.442 -11.338 -4.745 1.00 0.00 O ATOM 1613 CB LEU A 206 9.601 -10.540 -6.843 1.00 0.00 C ATOM 1614 CG LEU A 206 8.999 -10.484 -8.249 1.00 0.00 C ATOM 1615 CD1 LEU A 206 7.485 -10.418 -8.177 1.00 0.00 C ATOM 1616 CD2 LEU A 206 9.546 -9.294 -9.019 1.00 0.00 C ATOM 0 H LEU A 206 7.555 -11.636 -5.758 1.00 0.00 H new ATOM 0 HA LEU A 206 10.092 -12.626 -6.816 1.00 0.00 H new ATOM 0 HB2 LEU A 206 9.061 -9.837 -6.209 1.00 0.00 H new ATOM 0 HB3 LEU A 206 10.633 -10.193 -6.897 1.00 0.00 H new ATOM 0 HG LEU A 206 9.281 -11.394 -8.778 1.00 0.00 H new ATOM 0 HD11 LEU A 206 7.074 -10.379 -9.186 1.00 0.00 H new ATOM 0 HD12 LEU A 206 7.106 -11.303 -7.665 1.00 0.00 H new ATOM 0 HD13 LEU A 206 7.185 -9.525 -7.628 1.00 0.00 H new ATOM 0 HD21 LEU A 206 9.106 -9.272 -10.016 1.00 0.00 H new ATOM 0 HD22 LEU A 206 9.296 -8.373 -8.492 1.00 0.00 H new ATOM 0 HD23 LEU A 206 10.629 -9.382 -9.103 1.00 0.00 H new ATOM 1628 N GLY A 207 9.675 -12.331 -3.773 1.00 0.00 N ATOM 1629 CA GLY A 207 10.289 -12.355 -2.458 1.00 0.00 C ATOM 1630 C GLY A 207 9.995 -11.109 -1.651 1.00 0.00 C ATOM 1631 O GLY A 207 10.162 -11.103 -0.431 1.00 0.00 O ATOM 0 H GLY A 207 8.729 -12.711 -3.808 1.00 0.00 H new ATOM 0 HA2 GLY A 207 9.933 -13.229 -1.912 1.00 0.00 H new ATOM 0 HA3 GLY A 207 11.368 -12.465 -2.568 1.00 0.00 H new ATOM 1635 N THR A 208 9.569 -10.052 -2.328 1.00 0.00 N ATOM 1636 CA THR A 208 9.205 -8.813 -1.661 1.00 0.00 C ATOM 1637 C THR A 208 7.968 -9.023 -0.798 1.00 0.00 C ATOM 1638 O THR A 208 6.876 -9.206 -1.309 1.00 0.00 O ATOM 1639 CB THR A 208 8.907 -7.722 -2.715 1.00 0.00 C ATOM 1640 OG1 THR A 208 10.065 -7.503 -3.529 1.00 0.00 O ATOM 1641 CG2 THR A 208 8.464 -6.407 -2.081 1.00 0.00 C ATOM 0 H THR A 208 9.467 -10.029 -3.343 1.00 0.00 H new ATOM 0 HA THR A 208 10.036 -8.500 -1.029 1.00 0.00 H new ATOM 0 HB THR A 208 8.081 -8.081 -3.329 1.00 0.00 H new ATOM 0 HG1 THR A 208 9.870 -6.812 -4.196 1.00 0.00 H new ATOM 0 HG21 THR A 208 8.267 -5.674 -2.863 1.00 0.00 H new ATOM 0 HG22 THR A 208 7.556 -6.571 -1.500 1.00 0.00 H new ATOM 0 HG23 THR A 208 9.252 -6.035 -1.426 1.00 0.00 H new ATOM 1649 N VAL A 209 8.118 -8.980 0.505 1.00 0.00 N ATOM 1650 CA VAL A 209 6.964 -9.073 1.365 1.00 0.00 C ATOM 1651 C VAL A 209 6.725 -7.762 2.073 1.00 0.00 C ATOM 1652 O VAL A 209 7.621 -7.189 2.693 1.00 0.00 O ATOM 1653 CB VAL A 209 7.047 -10.257 2.349 1.00 0.00 C ATOM 1654 CG1 VAL A 209 8.409 -10.419 2.956 1.00 0.00 C ATOM 1655 CG2 VAL A 209 6.022 -10.142 3.453 1.00 0.00 C ATOM 0 H VAL A 209 9.012 -8.883 0.986 1.00 0.00 H new ATOM 0 HA VAL A 209 6.101 -9.278 0.731 1.00 0.00 H new ATOM 0 HB VAL A 209 6.835 -11.143 1.751 1.00 0.00 H new ATOM 0 HG11 VAL A 209 8.404 -11.268 3.639 1.00 0.00 H new ATOM 0 HG12 VAL A 209 9.141 -10.592 2.167 1.00 0.00 H new ATOM 0 HG13 VAL A 209 8.673 -9.514 3.504 1.00 0.00 H new ATOM 0 HG21 VAL A 209 6.114 -10.995 4.125 1.00 0.00 H new ATOM 0 HG22 VAL A 209 6.190 -9.221 4.011 1.00 0.00 H new ATOM 0 HG23 VAL A 209 5.022 -10.126 3.020 1.00 0.00 H new ATOM 1665 N LEU A 210 5.504 -7.289 1.949 1.00 0.00 N ATOM 1666 CA LEU A 210 5.159 -5.953 2.363 1.00 0.00 C ATOM 1667 C LEU A 210 4.916 -5.898 3.863 1.00 0.00 C ATOM 1668 O LEU A 210 3.943 -6.458 4.376 1.00 0.00 O ATOM 1669 CB LEU A 210 3.934 -5.466 1.584 1.00 0.00 C ATOM 1670 CG LEU A 210 4.093 -5.413 0.047 1.00 0.00 C ATOM 1671 CD1 LEU A 210 5.547 -5.328 -0.379 1.00 0.00 C ATOM 1672 CD2 LEU A 210 3.454 -6.606 -0.620 1.00 0.00 C ATOM 0 H LEU A 210 4.726 -7.821 1.559 1.00 0.00 H new ATOM 0 HA LEU A 210 5.994 -5.288 2.142 1.00 0.00 H new ATOM 0 HB2 LEU A 210 3.093 -6.118 1.821 1.00 0.00 H new ATOM 0 HB3 LEU A 210 3.674 -4.468 1.938 1.00 0.00 H new ATOM 0 HG LEU A 210 3.583 -4.505 -0.274 1.00 0.00 H new ATOM 0 HD11 LEU A 210 5.606 -5.293 -1.467 1.00 0.00 H new ATOM 0 HD12 LEU A 210 5.996 -4.427 0.038 1.00 0.00 H new ATOM 0 HD13 LEU A 210 6.085 -6.203 -0.014 1.00 0.00 H new ATOM 0 HD21 LEU A 210 3.586 -6.533 -1.700 1.00 0.00 H new ATOM 0 HD22 LEU A 210 3.924 -7.520 -0.258 1.00 0.00 H new ATOM 0 HD23 LEU A 210 2.390 -6.627 -0.385 1.00 0.00 H new ATOM 1684 N GLN A 211 5.828 -5.242 4.564 1.00 0.00 N ATOM 1685 CA GLN A 211 5.720 -5.092 6.002 1.00 0.00 C ATOM 1686 C GLN A 211 4.979 -3.806 6.347 1.00 0.00 C ATOM 1687 O GLN A 211 5.580 -2.743 6.501 1.00 0.00 O ATOM 1688 CB GLN A 211 7.108 -5.106 6.648 1.00 0.00 C ATOM 1689 CG GLN A 211 7.836 -6.433 6.480 1.00 0.00 C ATOM 1690 CD GLN A 211 9.206 -6.439 7.130 1.00 0.00 C ATOM 1691 OE1 GLN A 211 9.351 -6.780 8.304 1.00 0.00 O ATOM 1692 NE2 GLN A 211 10.224 -6.070 6.370 1.00 0.00 N ATOM 0 H GLN A 211 6.654 -4.804 4.156 1.00 0.00 H new ATOM 0 HA GLN A 211 5.151 -5.933 6.397 1.00 0.00 H new ATOM 0 HB2 GLN A 211 7.712 -4.310 6.212 1.00 0.00 H new ATOM 0 HB3 GLN A 211 7.009 -4.886 7.711 1.00 0.00 H new ATOM 0 HG2 GLN A 211 7.231 -7.231 6.911 1.00 0.00 H new ATOM 0 HG3 GLN A 211 7.942 -6.652 5.417 1.00 0.00 H new ATOM 0 HE21 GLN A 211 10.063 -5.794 5.401 1.00 0.00 H new ATOM 0 HE22 GLN A 211 11.169 -6.061 6.753 1.00 0.00 H new ATOM 1701 N LEU A 212 3.665 -3.923 6.449 1.00 0.00 N ATOM 1702 CA LEU A 212 2.804 -2.817 6.837 1.00 0.00 C ATOM 1703 C LEU A 212 2.933 -2.584 8.339 1.00 0.00 C ATOM 1704 O LEU A 212 2.534 -3.434 9.134 1.00 0.00 O ATOM 1705 CB LEU A 212 1.336 -3.133 6.495 1.00 0.00 C ATOM 1706 CG LEU A 212 0.931 -3.104 5.007 1.00 0.00 C ATOM 1707 CD1 LEU A 212 1.693 -4.131 4.177 1.00 0.00 C ATOM 1708 CD2 LEU A 212 -0.565 -3.347 4.876 1.00 0.00 C ATOM 0 H LEU A 212 3.163 -4.792 6.264 1.00 0.00 H new ATOM 0 HA LEU A 212 3.108 -1.923 6.292 1.00 0.00 H new ATOM 0 HB2 LEU A 212 1.104 -4.123 6.888 1.00 0.00 H new ATOM 0 HB3 LEU A 212 0.705 -2.423 7.029 1.00 0.00 H new ATOM 0 HG LEU A 212 1.187 -2.118 4.620 1.00 0.00 H new ATOM 0 HD11 LEU A 212 1.371 -4.070 3.137 1.00 0.00 H new ATOM 0 HD12 LEU A 212 2.762 -3.928 4.239 1.00 0.00 H new ATOM 0 HD13 LEU A 212 1.491 -5.131 4.561 1.00 0.00 H new ATOM 0 HD21 LEU A 212 -0.846 -3.326 3.823 1.00 0.00 H new ATOM 0 HD22 LEU A 212 -0.814 -4.321 5.298 1.00 0.00 H new ATOM 0 HD23 LEU A 212 -1.108 -2.569 5.413 1.00 0.00 H new ATOM 1720 N LYS A 213 3.519 -1.462 8.732 1.00 0.00 N ATOM 1721 CA LYS A 213 3.685 -1.160 10.148 1.00 0.00 C ATOM 1722 C LYS A 213 2.858 0.048 10.565 1.00 0.00 C ATOM 1723 O LYS A 213 2.036 -0.041 11.477 1.00 0.00 O ATOM 1724 CB LYS A 213 5.161 -0.945 10.487 1.00 0.00 C ATOM 1725 CG LYS A 213 5.978 -2.224 10.417 1.00 0.00 C ATOM 1726 CD LYS A 213 7.394 -2.019 10.926 1.00 0.00 C ATOM 1727 CE LYS A 213 8.107 -3.347 11.111 1.00 0.00 C ATOM 1728 NZ LYS A 213 9.472 -3.173 11.668 1.00 0.00 N1+ ATOM 0 H LYS A 213 3.885 -0.751 8.098 1.00 0.00 H new ATOM 0 HA LYS A 213 3.321 -2.020 10.711 1.00 0.00 H new ATOM 0 HB2 LYS A 213 5.583 -0.212 9.799 1.00 0.00 H new ATOM 0 HB3 LYS A 213 5.240 -0.524 11.489 1.00 0.00 H new ATOM 0 HG2 LYS A 213 5.489 -3.000 11.006 1.00 0.00 H new ATOM 0 HG3 LYS A 213 6.010 -2.579 9.387 1.00 0.00 H new ATOM 0 HD2 LYS A 213 7.950 -1.399 10.223 1.00 0.00 H new ATOM 0 HD3 LYS A 213 7.369 -1.481 11.874 1.00 0.00 H new ATOM 0 HE2 LYS A 213 7.522 -3.983 11.776 1.00 0.00 H new ATOM 0 HE3 LYS A 213 8.170 -3.861 10.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 213 9.923 -4.104 11.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 213 10.039 -2.588 11.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 213 9.412 -2.705 12.595 1.00 0.00 H new ATOM 1742 N GLN A 214 3.061 1.176 9.900 1.00 0.00 N ATOM 1743 CA GLN A 214 2.309 2.380 10.224 1.00 0.00 C ATOM 1744 C GLN A 214 2.035 3.210 8.972 1.00 0.00 C ATOM 1745 O GLN A 214 2.801 3.179 8.008 1.00 0.00 O ATOM 1746 CB GLN A 214 3.018 3.195 11.324 1.00 0.00 C ATOM 1747 CG GLN A 214 4.512 3.401 11.127 1.00 0.00 C ATOM 1748 CD GLN A 214 4.846 4.659 10.369 1.00 0.00 C ATOM 1749 OE1 GLN A 214 5.026 4.521 9.079 1.00 0.00 O flip ATOM 1750 NE2 GLN A 214 4.981 5.735 10.947 1.00 0.00 N flip ATOM 0 H GLN A 214 3.733 1.283 9.140 1.00 0.00 H new ATOM 0 HA GLN A 214 1.340 2.082 10.624 1.00 0.00 H new ATOM 0 HB2 GLN A 214 2.540 4.172 11.393 1.00 0.00 H new ATOM 0 HB3 GLN A 214 2.861 2.696 12.280 1.00 0.00 H new ATOM 0 HG2 GLN A 214 4.999 3.433 12.102 1.00 0.00 H new ATOM 0 HG3 GLN A 214 4.922 2.544 10.593 1.00 0.00 H new ATOM 0 HE21 GLN A 214 4.830 5.795 11.954 1.00 0.00 H new ATOM 0 HE22 GLN A 214 5.244 6.568 10.420 1.00 0.00 H new ATOM 1759 N PRO A 215 0.902 3.926 8.969 1.00 0.00 N ATOM 1760 CA PRO A 215 0.414 4.669 7.799 1.00 0.00 C ATOM 1761 C PRO A 215 1.209 5.935 7.486 1.00 0.00 C ATOM 1762 O PRO A 215 1.757 6.582 8.380 1.00 0.00 O ATOM 1763 CB PRO A 215 -1.012 5.035 8.203 1.00 0.00 C ATOM 1764 CG PRO A 215 -0.973 5.120 9.684 1.00 0.00 C ATOM 1765 CD PRO A 215 -0.017 4.052 10.118 1.00 0.00 C ATOM 0 HA PRO A 215 0.500 4.072 6.891 1.00 0.00 H new ATOM 0 HB2 PRO A 215 -1.318 5.982 7.760 1.00 0.00 H new ATOM 0 HB3 PRO A 215 -1.724 4.281 7.868 1.00 0.00 H new ATOM 0 HG2 PRO A 215 -0.638 6.104 10.012 1.00 0.00 H new ATOM 0 HG3 PRO A 215 -1.962 4.960 10.113 1.00 0.00 H new ATOM 0 HD2 PRO A 215 0.514 4.333 11.028 1.00 0.00 H new ATOM 0 HD3 PRO A 215 -0.531 3.113 10.326 1.00 0.00 H new ATOM 1773 N LEU A 216 1.262 6.276 6.202 1.00 0.00 N ATOM 1774 CA LEU A 216 1.867 7.523 5.749 1.00 0.00 C ATOM 1775 C LEU A 216 0.828 8.635 5.839 1.00 0.00 C ATOM 1776 O LEU A 216 -0.170 8.614 5.112 1.00 0.00 O ATOM 1777 CB LEU A 216 2.338 7.393 4.292 1.00 0.00 C ATOM 1778 CG LEU A 216 3.646 8.116 3.922 1.00 0.00 C ATOM 1779 CD1 LEU A 216 3.791 8.216 2.419 1.00 0.00 C ATOM 1780 CD2 LEU A 216 3.732 9.501 4.521 1.00 0.00 C ATOM 0 H LEU A 216 0.888 5.698 5.449 1.00 0.00 H new ATOM 0 HA LEU A 216 2.727 7.752 6.379 1.00 0.00 H new ATOM 0 HB2 LEU A 216 2.459 6.333 4.067 1.00 0.00 H new ATOM 0 HB3 LEU A 216 1.546 7.768 3.644 1.00 0.00 H new ATOM 0 HG LEU A 216 4.458 7.519 4.337 1.00 0.00 H new ATOM 0 HD11 LEU A 216 4.721 8.730 2.177 1.00 0.00 H new ATOM 0 HD12 LEU A 216 3.806 7.215 1.988 1.00 0.00 H new ATOM 0 HD13 LEU A 216 2.950 8.775 2.009 1.00 0.00 H new ATOM 0 HD21 LEU A 216 4.674 9.966 4.229 1.00 0.00 H new ATOM 0 HD22 LEU A 216 2.901 10.106 4.159 1.00 0.00 H new ATOM 0 HD23 LEU A 216 3.684 9.431 5.608 1.00 0.00 H new ATOM 1792 N ASN A 217 1.060 9.595 6.722 1.00 0.00 N ATOM 1793 CA ASN A 217 0.119 10.692 6.930 1.00 0.00 C ATOM 1794 C ASN A 217 -0.039 11.530 5.666 1.00 0.00 C ATOM 1795 O ASN A 217 0.877 11.625 4.845 1.00 0.00 O ATOM 1796 CB ASN A 217 0.576 11.582 8.088 1.00 0.00 C ATOM 1797 CG ASN A 217 0.462 10.898 9.437 1.00 0.00 C ATOM 1798 OD1 ASN A 217 1.393 10.233 9.892 1.00 0.00 O ATOM 1799 ND2 ASN A 217 -0.677 11.064 10.091 1.00 0.00 N ATOM 0 H ASN A 217 1.893 9.639 7.309 1.00 0.00 H new ATOM 0 HA ASN A 217 -0.848 10.254 7.177 1.00 0.00 H new ATOM 0 HB2 ASN A 217 1.611 11.881 7.924 1.00 0.00 H new ATOM 0 HB3 ASN A 217 -0.021 12.494 8.097 1.00 0.00 H new ATOM 0 HD21 ASN A 217 -0.807 10.633 11.006 1.00 0.00 H new ATOM 0 HD22 ASN A 217 -1.425 11.623 9.680 1.00 0.00 H new ATOM 1806 N THR A 218 -1.211 12.125 5.512 1.00 0.00 N ATOM 1807 CA THR A 218 -1.510 12.940 4.348 1.00 0.00 C ATOM 1808 C THR A 218 -0.912 14.333 4.485 1.00 0.00 C ATOM 1809 O THR A 218 -1.345 15.122 5.328 1.00 0.00 O ATOM 1810 CB THR A 218 -3.030 13.068 4.142 1.00 0.00 C ATOM 1811 OG1 THR A 218 -3.664 13.354 5.398 1.00 0.00 O ATOM 1812 CG2 THR A 218 -3.614 11.798 3.548 1.00 0.00 C ATOM 0 H THR A 218 -1.975 12.057 6.184 1.00 0.00 H new ATOM 0 HA THR A 218 -1.067 12.442 3.485 1.00 0.00 H new ATOM 0 HB THR A 218 -3.213 13.884 3.442 1.00 0.00 H new ATOM 0 HG1 THR A 218 -3.105 13.972 5.913 1.00 0.00 H new ATOM 0 HG21 THR A 218 -4.689 11.920 3.414 1.00 0.00 H new ATOM 0 HG22 THR A 218 -3.148 11.600 2.582 1.00 0.00 H new ATOM 0 HG23 THR A 218 -3.424 10.961 4.220 1.00 0.00 H new ATOM 1820 N THR A 219 0.082 14.632 3.668 1.00 0.00 N ATOM 1821 CA THR A 219 0.666 15.958 3.657 1.00 0.00 C ATOM 1822 C THR A 219 -0.096 16.842 2.671 1.00 0.00 C ATOM 1823 O THR A 219 0.022 16.695 1.455 1.00 0.00 O ATOM 1824 CB THR A 219 2.179 15.919 3.318 1.00 0.00 C ATOM 1825 OG1 THR A 219 2.694 17.247 3.145 1.00 0.00 O ATOM 1826 CG2 THR A 219 2.457 15.093 2.071 1.00 0.00 C ATOM 0 H THR A 219 0.499 13.977 3.007 1.00 0.00 H new ATOM 0 HA THR A 219 0.580 16.381 4.658 1.00 0.00 H new ATOM 0 HB THR A 219 2.684 15.444 4.159 1.00 0.00 H new ATOM 0 HG1 THR A 219 3.650 17.202 2.933 1.00 0.00 H new ATOM 0 HG21 THR A 219 3.528 15.091 1.867 1.00 0.00 H new ATOM 0 HG22 THR A 219 2.115 14.070 2.229 1.00 0.00 H new ATOM 0 HG23 THR A 219 1.927 15.526 1.222 1.00 0.00 H new ATOM 1947 N ALA B 1 2.330 -5.115 -6.885 1.00 0.00 N ATOM 1948 CA ALA B 1 2.658 -6.426 -6.342 1.00 0.00 C ATOM 1949 C ALA B 1 1.503 -7.410 -6.527 1.00 0.00 C ATOM 1950 O ALA B 1 0.343 -7.099 -6.245 1.00 0.00 O ATOM 1951 CB ALA B 1 3.031 -6.292 -4.859 1.00 0.00 C ATOM 0 H1 ALA B 1 3.100 -4.794 -7.506 1.00 0.00 H new ATOM 0 H2 ALA B 1 1.447 -5.176 -7.431 1.00 0.00 H new ATOM 0 H3 ALA B 1 2.208 -4.437 -6.106 1.00 0.00 H new ATOM 0 HA ALA B 1 3.513 -6.824 -6.889 1.00 0.00 H new ATOM 0 HB1 ALA B 1 3.276 -7.274 -4.455 1.00 0.00 H new ATOM 0 HB2 ALA B 1 3.894 -5.633 -4.759 1.00 0.00 H new ATOM 0 HB3 ALA B 1 2.189 -5.873 -4.308 1.00 0.00 H new ATOM 1957 N THR B 2 1.851 -8.592 -7.026 1.00 0.00 N ATOM 1958 CA THR B 2 0.899 -9.657 -7.303 1.00 0.00 C ATOM 1959 C THR B 2 0.360 -10.259 -6.009 1.00 0.00 C ATOM 1960 O THR B 2 -0.847 -10.463 -5.873 1.00 0.00 O ATOM 1961 CB THR B 2 1.572 -10.760 -8.140 1.00 0.00 C ATOM 1962 OG1 THR B 2 2.071 -10.204 -9.365 1.00 0.00 O ATOM 1963 CG2 THR B 2 0.600 -11.889 -8.440 1.00 0.00 C ATOM 0 H THR B 2 2.815 -8.838 -7.251 1.00 0.00 H new ATOM 0 HA THR B 2 0.066 -9.229 -7.861 1.00 0.00 H new ATOM 0 HB THR B 2 2.401 -11.170 -7.563 1.00 0.00 H new ATOM 0 HG1 THR B 2 2.500 -10.909 -9.893 1.00 0.00 H new ATOM 0 HG21 THR B 2 1.102 -12.654 -9.032 1.00 0.00 H new ATOM 0 HG22 THR B 2 0.250 -12.326 -7.505 1.00 0.00 H new ATOM 0 HG23 THR B 2 -0.251 -11.498 -8.998 1.00 0.00 H new ATOM 1971 N ILE B 3 1.266 -10.562 -5.084 1.00 0.00 N ATOM 1972 CA ILE B 3 0.922 -11.008 -3.749 1.00 0.00 C ATOM 1973 C ILE B 3 0.530 -12.471 -3.769 1.00 0.00 C ATOM 1974 O ILE B 3 -0.638 -12.819 -3.957 1.00 0.00 O ATOM 1975 CB ILE B 3 -0.212 -10.184 -3.101 1.00 0.00 C ATOM 1976 CG1 ILE B 3 0.033 -8.676 -3.251 1.00 0.00 C ATOM 1977 CG2 ILE B 3 -0.313 -10.556 -1.634 1.00 0.00 C ATOM 1978 CD1 ILE B 3 1.202 -8.159 -2.448 1.00 0.00 C ATOM 0 H ILE B 3 2.271 -10.502 -5.248 1.00 0.00 H new ATOM 0 HA ILE B 3 1.815 -10.861 -3.141 1.00 0.00 H new ATOM 0 HB ILE B 3 -1.148 -10.414 -3.610 1.00 0.00 H new ATOM 0 HG12 ILE B 3 0.200 -8.449 -4.304 1.00 0.00 H new ATOM 0 HG13 ILE B 3 -0.867 -8.141 -2.949 1.00 0.00 H new ATOM 0 HG21 ILE B 3 -1.111 -9.979 -1.167 1.00 0.00 H new ATOM 0 HG22 ILE B 3 -0.532 -11.620 -1.543 1.00 0.00 H new ATOM 0 HG23 ILE B 3 0.632 -10.336 -1.137 1.00 0.00 H new ATOM 0 HD11 ILE B 3 1.308 -7.086 -2.609 1.00 0.00 H new ATOM 0 HD12 ILE B 3 1.030 -8.352 -1.389 1.00 0.00 H new ATOM 0 HD13 ILE B 3 2.114 -8.665 -2.766 1.00 0.00 H new ATOM 1990 N VAL B 4 1.519 -13.323 -3.590 1.00 0.00 N ATOM 1991 CA VAL B 4 1.286 -14.744 -3.535 1.00 0.00 C ATOM 1992 C VAL B 4 1.230 -15.215 -2.098 1.00 0.00 C ATOM 1993 O VAL B 4 2.129 -14.950 -1.300 1.00 0.00 O ATOM 1994 CB VAL B 4 2.357 -15.559 -4.291 1.00 0.00 C ATOM 1995 CG1 VAL B 4 2.159 -15.438 -5.792 1.00 0.00 C ATOM 1996 CG2 VAL B 4 3.755 -15.117 -3.895 1.00 0.00 C ATOM 0 H VAL B 4 2.496 -13.050 -3.480 1.00 0.00 H new ATOM 0 HA VAL B 4 0.329 -14.916 -4.028 1.00 0.00 H new ATOM 0 HB VAL B 4 2.245 -16.607 -4.014 1.00 0.00 H new ATOM 0 HG11 VAL B 4 2.923 -16.019 -6.308 1.00 0.00 H new ATOM 0 HG12 VAL B 4 1.173 -15.816 -6.061 1.00 0.00 H new ATOM 0 HG13 VAL B 4 2.239 -14.392 -6.086 1.00 0.00 H new ATOM 0 HG21 VAL B 4 4.491 -15.706 -4.441 1.00 0.00 H new ATOM 0 HG22 VAL B 4 3.885 -14.062 -4.135 1.00 0.00 H new ATOM 0 HG23 VAL B 4 3.894 -15.265 -2.824 1.00 0.00 H new