USER MOD reduce.3.24.130724 H: found=0, std=0, add=849, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 848 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 129 LYS NZ :NH3+ 164:sc= 0.11 (180deg=0) USER MOD Set 1.2: A 219 THR OG1 : rot 130:sc= 0.113 USER MOD Set 2.1: A 132 HIS : no HE2:sc= 1.13 K(o=2.9,f=-6!) USER MOD Set 2.2: A 211 GLN : amide:sc= 0.863 K(o=2.9,f=-9.3!) USER MOD Set 2.3: A 213 LYS NZ :NH3+ -164:sc= 0.867 (180deg=-0.0266) USER MOD Set 3.1: A 150 SER OG : rot -102:sc= 1.1 USER MOD Set 3.2: A 169 HIS : no HD1:sc= 0.904 K(o=2,f=-5.3!) USER MOD Set 4.1: A 143 HIS : no HD1:sc= 0 X(o=-0.15,f=-0.15) USER MOD Set 4.2: A 171 MET CE :methyl 162:sc= -0.146 (180deg=-0.599) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.0194 USER MOD Single : A 109 SER OG : rot 180:sc= 0.031 USER MOD Single : A 114 HIS : no HD1:sc= -1.21 K(o=-1.2,f=-4.6!) USER MOD Single : A 116 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 118 SER OG : rot -82:sc= 0.837 USER MOD Single : A 120 LYS NZ :NH3+ 149:sc= 1.26 (180deg=1.13) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 THR OG1 : rot 95:sc= 1.25 USER MOD Single : A 131 LYS NZ :NH3+ -117:sc= -0.568 (180deg=-2.33!) USER MOD Single : A 134 SER OG : rot -80:sc= 0.232 USER MOD Single : A 140 SER OG : rot 180:sc= 0.646 USER MOD Single : A 141 GLN : amide:sc= -0.0294! X(o=-0.029!,f=-0.0017) USER MOD Single : A 142 SER OG : rot 180:sc= 0 USER MOD Single : A 153 THR OG1 : rot 23:sc= 0.572 USER MOD Single : A 166 LYS NZ :NH3+ -107:sc= 1.22 (180deg=-0.116) USER MOD Single : A 168 THR OG1 : rot -144:sc= 0.699 USER MOD Single : A 174 CYS SG : rot 46:sc= -2.87! USER MOD Single : A 175 GLN : amide:sc= -0.239 X(o=-0.24,f=-0.58) USER MOD Single : A 178 LYS NZ :NH3+ -154:sc= 0.736 (180deg=0.335) USER MOD Single : A 179 TYR OH : rot 150:sc= 0 USER MOD Single : A 189 SER OG : rot 145:sc= 1.27 USER MOD Single : A 191 THR OG1 : rot 180:sc= -0.403 USER MOD Single : A 196 HIS : no HD1:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 197 TYR OH : rot 0:sc= -0.33 USER MOD Single : A 198 LYS NZ :NH3+ 173:sc= 0.212 (180deg=-0.164!) USER MOD Single : A 199 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 200 ASN : amide:sc= 0.00829 X(o=0.0083,f=0) USER MOD Single : A 202 MET CE :methyl -174:sc= -4.6! (180deg=-4.79!) USER MOD Single : A 205 THR OG1 : rot -36:sc= 0.181 USER MOD Single : A 208 THR OG1 : rot 180:sc= 0 USER MOD Single : A 214 GLN : amide:sc= -0.412 K(o=-0.41,f=-2.1!) USER MOD Single : A 217 ASN : amide:sc=-0.00617 X(o=-0.0062,f=-0.053) USER MOD Single : A 218 THR OG1 : rot 51:sc= 0.12 USER MOD Single : B 1 ALA N :NH3+ -128:sc= 1.14 (180deg=-0.434) USER MOD Single : B 2 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 63 N PRO A 107 -15.069 4.432 3.614 1.00 0.00 N ATOM 64 CA PRO A 107 -14.224 3.654 4.518 1.00 0.00 C ATOM 65 C PRO A 107 -12.782 4.104 4.380 1.00 0.00 C ATOM 66 O PRO A 107 -11.889 3.687 5.115 1.00 0.00 O ATOM 67 CB PRO A 107 -14.386 2.202 4.037 1.00 0.00 C ATOM 68 CG PRO A 107 -15.366 2.240 2.902 1.00 0.00 C ATOM 69 CD PRO A 107 -15.419 3.661 2.415 1.00 0.00 C ATOM 0 HA PRO A 107 -14.498 3.772 5.566 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -13.430 1.792 3.711 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -14.749 1.564 4.843 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -15.055 1.569 2.101 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -16.351 1.908 3.231 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -14.714 3.836 1.602 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -16.409 3.923 2.041 1.00 0.00 H new ATOM 77 N THR A 108 -12.589 4.967 3.402 1.00 0.00 N ATOM 78 CA THR A 108 -11.294 5.472 3.033 1.00 0.00 C ATOM 79 C THR A 108 -11.039 6.842 3.656 1.00 0.00 C ATOM 80 O THR A 108 -10.046 7.493 3.356 1.00 0.00 O ATOM 81 CB THR A 108 -11.205 5.565 1.503 1.00 0.00 C ATOM 82 OG1 THR A 108 -12.346 6.264 0.995 1.00 0.00 O ATOM 83 CG2 THR A 108 -11.152 4.177 0.884 1.00 0.00 C ATOM 0 H THR A 108 -13.349 5.341 2.833 1.00 0.00 H new ATOM 0 HA THR A 108 -10.532 4.788 3.407 1.00 0.00 H new ATOM 0 HB THR A 108 -10.294 6.104 1.243 1.00 0.00 H new ATOM 0 HG1 THR A 108 -12.285 6.323 0.019 1.00 0.00 H new ATOM 0 HG21 THR A 108 -11.089 4.264 -0.201 1.00 0.00 H new ATOM 0 HG22 THR A 108 -10.276 3.646 1.257 1.00 0.00 H new ATOM 0 HG23 THR A 108 -12.053 3.625 1.152 1.00 0.00 H new ATOM 91 N SER A 109 -11.938 7.274 4.531 1.00 0.00 N ATOM 92 CA SER A 109 -11.831 8.586 5.165 1.00 0.00 C ATOM 93 C SER A 109 -10.757 8.602 6.262 1.00 0.00 C ATOM 94 O SER A 109 -10.848 9.363 7.226 1.00 0.00 O ATOM 95 CB SER A 109 -13.192 8.986 5.738 1.00 0.00 C ATOM 96 OG SER A 109 -13.767 7.914 6.470 1.00 0.00 O ATOM 0 H SER A 109 -12.754 6.734 4.820 1.00 0.00 H new ATOM 0 HA SER A 109 -11.527 9.309 4.408 1.00 0.00 H new ATOM 0 HB2 SER A 109 -13.077 9.855 6.387 1.00 0.00 H new ATOM 0 HB3 SER A 109 -13.860 9.279 4.928 1.00 0.00 H new ATOM 0 HG SER A 109 -14.636 8.192 6.829 1.00 0.00 H new ATOM 102 N GLU A 110 -9.733 7.780 6.087 1.00 0.00 N ATOM 103 CA GLU A 110 -8.641 7.670 7.041 1.00 0.00 C ATOM 104 C GLU A 110 -7.370 8.271 6.436 1.00 0.00 C ATOM 105 O GLU A 110 -7.333 8.589 5.247 1.00 0.00 O ATOM 106 CB GLU A 110 -8.422 6.200 7.403 1.00 0.00 C ATOM 107 CG GLU A 110 -9.658 5.512 7.972 1.00 0.00 C ATOM 108 CD GLU A 110 -10.034 6.013 9.352 1.00 0.00 C ATOM 109 OE1 GLU A 110 -10.825 6.972 9.453 1.00 0.00 O ATOM 110 OE2 GLU A 110 -9.546 5.439 10.348 1.00 0.00 O1- ATOM 0 H GLU A 110 -9.636 7.169 5.276 1.00 0.00 H new ATOM 0 HA GLU A 110 -8.889 8.219 7.949 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -8.096 5.662 6.513 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -7.613 6.132 8.131 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -10.497 5.667 7.294 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -9.480 4.438 8.018 1.00 0.00 H new ATOM 117 N ARG A 111 -6.327 8.410 7.248 1.00 0.00 N ATOM 118 CA ARG A 111 -5.157 9.201 6.865 1.00 0.00 C ATOM 119 C ARG A 111 -4.132 8.414 6.050 1.00 0.00 C ATOM 120 O ARG A 111 -3.189 8.998 5.519 1.00 0.00 O ATOM 121 CB ARG A 111 -4.494 9.796 8.110 1.00 0.00 C ATOM 122 CG ARG A 111 -5.345 10.846 8.807 1.00 0.00 C ATOM 123 CD ARG A 111 -5.651 12.015 7.881 1.00 0.00 C ATOM 124 NE ARG A 111 -6.376 13.087 8.559 1.00 0.00 N ATOM 125 CZ ARG A 111 -6.383 14.355 8.149 1.00 0.00 C ATOM 126 NH1 ARG A 111 -5.708 14.707 7.062 1.00 0.00 N1+ ATOM 127 NH2 ARG A 111 -7.067 15.270 8.824 1.00 0.00 N ATOM 0 H ARG A 111 -6.265 7.987 8.174 1.00 0.00 H new ATOM 0 HA ARG A 111 -5.521 9.999 6.217 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -4.273 8.993 8.813 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -3.541 10.242 7.826 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -6.277 10.395 9.146 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -4.825 11.208 9.694 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -4.718 12.409 7.478 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -6.240 11.660 7.035 1.00 0.00 H new ATOM 0 HE ARG A 111 -6.909 12.851 9.396 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -5.183 14.007 6.539 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -5.715 15.678 6.750 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -7.589 15.004 9.659 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -7.071 16.240 8.508 1.00 0.00 H new ATOM 141 N TRP A 112 -4.298 7.102 5.948 1.00 0.00 N ATOM 142 CA TRP A 112 -3.419 6.303 5.098 1.00 0.00 C ATOM 143 C TRP A 112 -3.946 6.262 3.670 1.00 0.00 C ATOM 144 O TRP A 112 -3.214 5.946 2.735 1.00 0.00 O ATOM 145 CB TRP A 112 -3.237 4.885 5.646 1.00 0.00 C ATOM 146 CG TRP A 112 -4.431 4.358 6.374 1.00 0.00 C ATOM 147 CD1 TRP A 112 -4.603 4.313 7.725 1.00 0.00 C ATOM 148 CD2 TRP A 112 -5.616 3.805 5.798 1.00 0.00 C ATOM 149 NE1 TRP A 112 -5.823 3.768 8.023 1.00 0.00 N ATOM 150 CE2 TRP A 112 -6.466 3.449 6.859 1.00 0.00 C ATOM 151 CE3 TRP A 112 -6.045 3.579 4.490 1.00 0.00 C ATOM 152 CZ2 TRP A 112 -7.715 2.883 6.650 1.00 0.00 C ATOM 153 CZ3 TRP A 112 -7.288 3.015 4.284 1.00 0.00 C ATOM 154 CH2 TRP A 112 -8.110 2.674 5.360 1.00 0.00 C ATOM 0 H TRP A 112 -5.021 6.573 6.435 1.00 0.00 H new ATOM 0 HA TRP A 112 -2.440 6.782 5.096 1.00 0.00 H new ATOM 0 HB2 TRP A 112 -3.003 4.214 4.819 1.00 0.00 H new ATOM 0 HB3 TRP A 112 -2.379 4.874 6.319 1.00 0.00 H new ATOM 0 HD1 TRP A 112 -3.883 4.657 8.453 1.00 0.00 H new ATOM 0 HE1 TRP A 112 -6.193 3.623 8.962 1.00 0.00 H new ATOM 0 HE3 TRP A 112 -5.415 3.841 3.653 1.00 0.00 H new ATOM 0 HZ2 TRP A 112 -8.353 2.617 7.480 1.00 0.00 H new ATOM 0 HZ3 TRP A 112 -7.630 2.835 3.275 1.00 0.00 H new ATOM 0 HH2 TRP A 112 -9.078 2.236 5.168 1.00 0.00 H new ATOM 165 N PHE A 113 -5.222 6.572 3.510 1.00 0.00 N ATOM 166 CA PHE A 113 -5.816 6.717 2.195 1.00 0.00 C ATOM 167 C PHE A 113 -5.385 8.029 1.566 1.00 0.00 C ATOM 168 O PHE A 113 -5.636 9.108 2.105 1.00 0.00 O ATOM 169 CB PHE A 113 -7.339 6.659 2.282 1.00 0.00 C ATOM 170 CG PHE A 113 -8.040 6.933 0.975 1.00 0.00 C ATOM 171 CD1 PHE A 113 -8.218 5.924 0.047 1.00 0.00 C ATOM 172 CD2 PHE A 113 -8.532 8.198 0.683 1.00 0.00 C ATOM 173 CE1 PHE A 113 -8.872 6.164 -1.143 1.00 0.00 C ATOM 174 CE2 PHE A 113 -9.184 8.445 -0.508 1.00 0.00 C ATOM 175 CZ PHE A 113 -9.357 7.425 -1.422 1.00 0.00 C ATOM 0 H PHE A 113 -5.869 6.729 4.282 1.00 0.00 H new ATOM 0 HA PHE A 113 -5.471 5.892 1.572 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -7.635 5.673 2.641 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -7.678 7.383 3.023 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -7.840 4.934 0.257 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -8.403 8.998 1.397 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -9.005 5.364 -1.857 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -9.558 9.435 -0.725 1.00 0.00 H new ATOM 0 HZ PHE A 113 -9.871 7.614 -2.353 1.00 0.00 H new ATOM 185 N HIS A 114 -4.718 7.929 0.439 1.00 0.00 N ATOM 186 CA HIS A 114 -4.328 9.098 -0.319 1.00 0.00 C ATOM 187 C HIS A 114 -5.109 9.122 -1.622 1.00 0.00 C ATOM 188 O HIS A 114 -5.430 8.067 -2.170 1.00 0.00 O ATOM 189 CB HIS A 114 -2.819 9.100 -0.579 1.00 0.00 C ATOM 190 CG HIS A 114 -1.986 9.306 0.654 1.00 0.00 C ATOM 191 ND1 HIS A 114 -0.971 10.237 0.731 1.00 0.00 N ATOM 192 CD2 HIS A 114 -2.000 8.677 1.855 1.00 0.00 C ATOM 193 CE1 HIS A 114 -0.398 10.168 1.918 1.00 0.00 C ATOM 194 NE2 HIS A 114 -1.004 9.232 2.621 1.00 0.00 N ATOM 0 H HIS A 114 -4.432 7.043 0.023 1.00 0.00 H new ATOM 0 HA HIS A 114 -4.557 9.997 0.253 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -2.539 8.153 -1.040 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -2.586 9.885 -1.298 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -2.671 7.885 2.154 1.00 0.00 H new ATOM 0 HE1 HIS A 114 0.428 10.776 2.256 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -0.771 8.964 3.577 1.00 0.00 H new ATOM 203 N GLY A 115 -5.422 10.314 -2.105 1.00 0.00 N ATOM 204 CA GLY A 115 -6.297 10.444 -3.254 1.00 0.00 C ATOM 205 C GLY A 115 -5.642 10.056 -4.568 1.00 0.00 C ATOM 206 O GLY A 115 -5.127 8.944 -4.727 1.00 0.00 O ATOM 0 H GLY A 115 -5.085 11.197 -1.722 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -7.179 9.822 -3.100 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -6.643 11.476 -3.321 1.00 0.00 H new ATOM 210 N HIS A 116 -5.654 10.978 -5.518 1.00 0.00 N ATOM 211 CA HIS A 116 -5.154 10.693 -6.852 1.00 0.00 C ATOM 212 C HIS A 116 -3.656 10.935 -6.940 1.00 0.00 C ATOM 213 O HIS A 116 -3.199 12.003 -7.352 1.00 0.00 O ATOM 214 CB HIS A 116 -5.892 11.530 -7.899 1.00 0.00 C ATOM 215 CG HIS A 116 -7.331 11.147 -8.061 1.00 0.00 C ATOM 216 ND1 HIS A 116 -8.377 11.957 -7.676 1.00 0.00 N ATOM 217 CD2 HIS A 116 -7.894 10.026 -8.570 1.00 0.00 C ATOM 218 CE1 HIS A 116 -9.519 11.349 -7.939 1.00 0.00 C ATOM 219 NE2 HIS A 116 -9.254 10.176 -8.482 1.00 0.00 N ATOM 0 H HIS A 116 -6.004 11.928 -5.390 1.00 0.00 H new ATOM 0 HA HIS A 116 -5.340 9.639 -7.058 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -5.833 12.582 -7.620 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -5.386 11.426 -8.859 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -7.369 9.172 -8.971 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -10.504 11.745 -7.743 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -9.947 9.493 -8.786 1.00 0.00 H new ATOM 228 N LEU A 117 -2.900 9.935 -6.529 1.00 0.00 N ATOM 229 CA LEU A 117 -1.458 9.927 -6.711 1.00 0.00 C ATOM 230 C LEU A 117 -1.124 9.105 -7.943 1.00 0.00 C ATOM 231 O LEU A 117 -1.956 8.336 -8.427 1.00 0.00 O ATOM 232 CB LEU A 117 -0.759 9.299 -5.498 1.00 0.00 C ATOM 233 CG LEU A 117 -0.933 10.017 -4.159 1.00 0.00 C ATOM 234 CD1 LEU A 117 -0.415 9.141 -3.032 1.00 0.00 C ATOM 235 CD2 LEU A 117 -0.195 11.343 -4.157 1.00 0.00 C ATOM 0 H LEU A 117 -3.266 9.106 -6.060 1.00 0.00 H new ATOM 0 HA LEU A 117 -1.114 10.955 -6.824 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -1.123 8.278 -5.386 1.00 0.00 H new ATOM 0 HB3 LEU A 117 0.307 9.236 -5.714 1.00 0.00 H new ATOM 0 HG LEU A 117 -1.995 10.212 -4.010 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -0.542 9.659 -2.081 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -0.973 8.205 -3.013 1.00 0.00 H new ATOM 0 HD13 LEU A 117 0.642 8.930 -3.192 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -0.334 11.835 -3.194 1.00 0.00 H new ATOM 0 HD22 LEU A 117 0.868 11.168 -4.326 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -0.588 11.979 -4.950 1.00 0.00 H new ATOM 247 N SER A 118 0.053 9.303 -8.481 1.00 0.00 N ATOM 248 CA SER A 118 0.595 8.379 -9.454 1.00 0.00 C ATOM 249 C SER A 118 1.639 7.492 -8.778 1.00 0.00 C ATOM 250 O SER A 118 1.989 7.735 -7.616 1.00 0.00 O ATOM 251 CB SER A 118 1.196 9.141 -10.635 1.00 0.00 C ATOM 252 OG SER A 118 2.029 10.196 -10.188 1.00 0.00 O ATOM 0 H SER A 118 0.657 10.095 -8.264 1.00 0.00 H new ATOM 0 HA SER A 118 -0.203 7.747 -9.843 1.00 0.00 H new ATOM 0 HB2 SER A 118 1.772 8.457 -11.258 1.00 0.00 H new ATOM 0 HB3 SER A 118 0.397 9.543 -11.258 1.00 0.00 H new ATOM 0 HG SER A 118 1.478 10.976 -9.965 1.00 0.00 H new ATOM 258 N GLY A 119 2.129 6.482 -9.488 1.00 0.00 N ATOM 259 CA GLY A 119 3.133 5.586 -8.935 1.00 0.00 C ATOM 260 C GLY A 119 4.320 6.329 -8.351 1.00 0.00 C ATOM 261 O GLY A 119 4.712 6.093 -7.206 1.00 0.00 O ATOM 0 H GLY A 119 1.847 6.265 -10.444 1.00 0.00 H new ATOM 0 HA2 GLY A 119 2.677 4.970 -8.160 1.00 0.00 H new ATOM 0 HA3 GLY A 119 3.481 4.910 -9.716 1.00 0.00 H new ATOM 265 N LYS A 120 4.871 7.249 -9.134 1.00 0.00 N ATOM 266 CA LYS A 120 6.040 8.016 -8.734 1.00 0.00 C ATOM 267 C LYS A 120 5.737 8.909 -7.535 1.00 0.00 C ATOM 268 O LYS A 120 6.549 9.023 -6.616 1.00 0.00 O ATOM 269 CB LYS A 120 6.522 8.859 -9.913 1.00 0.00 C ATOM 270 CG LYS A 120 7.795 9.644 -9.639 1.00 0.00 C ATOM 271 CD LYS A 120 8.938 8.749 -9.179 1.00 0.00 C ATOM 272 CE LYS A 120 9.254 7.660 -10.192 1.00 0.00 C ATOM 273 NZ LYS A 120 10.402 6.821 -9.761 1.00 0.00 N1+ ATOM 0 H LYS A 120 4.519 7.483 -10.062 1.00 0.00 H new ATOM 0 HA LYS A 120 6.824 7.320 -8.436 1.00 0.00 H new ATOM 0 HB2 LYS A 120 6.689 8.205 -10.769 1.00 0.00 H new ATOM 0 HB3 LYS A 120 5.732 9.556 -10.194 1.00 0.00 H new ATOM 0 HG2 LYS A 120 8.093 10.175 -10.543 1.00 0.00 H new ATOM 0 HG3 LYS A 120 7.597 10.398 -8.877 1.00 0.00 H new ATOM 0 HD2 LYS A 120 9.828 9.356 -9.010 1.00 0.00 H new ATOM 0 HD3 LYS A 120 8.678 8.291 -8.224 1.00 0.00 H new ATOM 0 HE2 LYS A 120 8.376 7.030 -10.334 1.00 0.00 H new ATOM 0 HE3 LYS A 120 9.478 8.115 -11.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 10.281 5.854 -10.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 11.285 7.223 -10.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 10.445 6.798 -8.722 1.00 0.00 H new ATOM 287 N GLU A 121 4.565 9.535 -7.546 1.00 0.00 N ATOM 288 CA GLU A 121 4.150 10.393 -6.438 1.00 0.00 C ATOM 289 C GLU A 121 4.062 9.593 -5.147 1.00 0.00 C ATOM 290 O GLU A 121 4.573 10.015 -4.112 1.00 0.00 O ATOM 291 CB GLU A 121 2.801 11.053 -6.726 1.00 0.00 C ATOM 292 CG GLU A 121 2.847 12.081 -7.840 1.00 0.00 C ATOM 293 CD GLU A 121 1.483 12.658 -8.151 1.00 0.00 C ATOM 294 OE1 GLU A 121 1.221 13.821 -7.784 1.00 0.00 O ATOM 295 OE2 GLU A 121 0.664 11.942 -8.761 1.00 0.00 O1- ATOM 0 H GLU A 121 3.887 9.466 -8.305 1.00 0.00 H new ATOM 0 HA GLU A 121 4.902 11.174 -6.326 1.00 0.00 H new ATOM 0 HB2 GLU A 121 2.078 10.281 -6.987 1.00 0.00 H new ATOM 0 HB3 GLU A 121 2.440 11.533 -5.816 1.00 0.00 H new ATOM 0 HG2 GLU A 121 3.524 12.888 -7.558 1.00 0.00 H new ATOM 0 HG3 GLU A 121 3.257 11.620 -8.739 1.00 0.00 H new ATOM 302 N ALA A 122 3.427 8.431 -5.223 1.00 0.00 N ATOM 303 CA ALA A 122 3.279 7.558 -4.066 1.00 0.00 C ATOM 304 C ALA A 122 4.627 7.025 -3.611 1.00 0.00 C ATOM 305 O ALA A 122 4.863 6.831 -2.419 1.00 0.00 O ATOM 306 CB ALA A 122 2.351 6.408 -4.394 1.00 0.00 C ATOM 0 H ALA A 122 3.004 8.070 -6.078 1.00 0.00 H new ATOM 0 HA ALA A 122 2.849 8.143 -3.253 1.00 0.00 H new ATOM 0 HB1 ALA A 122 2.249 5.763 -3.521 1.00 0.00 H new ATOM 0 HB2 ALA A 122 1.372 6.798 -4.673 1.00 0.00 H new ATOM 0 HB3 ALA A 122 2.763 5.833 -5.224 1.00 0.00 H new ATOM 312 N GLU A 123 5.501 6.780 -4.573 1.00 0.00 N ATOM 313 CA GLU A 123 6.840 6.305 -4.287 1.00 0.00 C ATOM 314 C GLU A 123 7.619 7.367 -3.519 1.00 0.00 C ATOM 315 O GLU A 123 8.183 7.093 -2.463 1.00 0.00 O ATOM 316 CB GLU A 123 7.549 5.963 -5.595 1.00 0.00 C ATOM 317 CG GLU A 123 8.936 5.383 -5.422 1.00 0.00 C ATOM 318 CD GLU A 123 9.634 5.208 -6.750 1.00 0.00 C ATOM 319 OE1 GLU A 123 10.325 6.150 -7.192 1.00 0.00 O ATOM 320 OE2 GLU A 123 9.471 4.139 -7.371 1.00 0.00 O1- ATOM 0 H GLU A 123 5.303 6.904 -5.566 1.00 0.00 H new ATOM 0 HA GLU A 123 6.782 5.408 -3.670 1.00 0.00 H new ATOM 0 HB2 GLU A 123 6.938 5.251 -6.150 1.00 0.00 H new ATOM 0 HB3 GLU A 123 7.619 6.865 -6.203 1.00 0.00 H new ATOM 0 HG2 GLU A 123 9.528 6.038 -4.783 1.00 0.00 H new ATOM 0 HG3 GLU A 123 8.868 4.420 -4.916 1.00 0.00 H new ATOM 327 N LYS A 124 7.614 8.587 -4.044 1.00 0.00 N ATOM 328 CA LYS A 124 8.261 9.716 -3.384 1.00 0.00 C ATOM 329 C LYS A 124 7.634 9.963 -2.015 1.00 0.00 C ATOM 330 O LYS A 124 8.321 10.341 -1.066 1.00 0.00 O ATOM 331 CB LYS A 124 8.163 10.979 -4.247 1.00 0.00 C ATOM 332 CG LYS A 124 8.875 12.183 -3.643 1.00 0.00 C ATOM 333 CD LYS A 124 8.759 13.418 -4.524 1.00 0.00 C ATOM 334 CE LYS A 124 9.470 13.233 -5.856 1.00 0.00 C ATOM 335 NZ LYS A 124 9.350 14.436 -6.719 1.00 0.00 N1+ ATOM 0 H LYS A 124 7.166 8.821 -4.930 1.00 0.00 H new ATOM 0 HA LYS A 124 9.315 9.473 -3.248 1.00 0.00 H new ATOM 0 HB2 LYS A 124 8.586 10.772 -5.230 1.00 0.00 H new ATOM 0 HB3 LYS A 124 7.112 11.226 -4.398 1.00 0.00 H new ATOM 0 HG2 LYS A 124 8.453 12.398 -2.661 1.00 0.00 H new ATOM 0 HG3 LYS A 124 9.928 11.943 -3.492 1.00 0.00 H new ATOM 0 HD2 LYS A 124 7.707 13.640 -4.702 1.00 0.00 H new ATOM 0 HD3 LYS A 124 9.182 14.277 -4.003 1.00 0.00 H new ATOM 0 HE2 LYS A 124 10.524 13.017 -5.678 1.00 0.00 H new ATOM 0 HE3 LYS A 124 9.051 12.371 -6.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 9.847 14.270 -7.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 8.346 14.628 -6.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 9.773 15.254 -6.235 1.00 0.00 H new ATOM 349 N LEU A 125 6.330 9.727 -1.920 1.00 0.00 N ATOM 350 CA LEU A 125 5.603 9.913 -0.671 1.00 0.00 C ATOM 351 C LEU A 125 6.233 9.062 0.432 1.00 0.00 C ATOM 352 O LEU A 125 6.588 9.561 1.497 1.00 0.00 O ATOM 353 CB LEU A 125 4.143 9.465 -0.862 1.00 0.00 C ATOM 354 CG LEU A 125 3.054 10.528 -0.716 1.00 0.00 C ATOM 355 CD1 LEU A 125 3.112 11.193 0.639 1.00 0.00 C ATOM 356 CD2 LEU A 125 3.149 11.550 -1.820 1.00 0.00 C ATOM 0 H LEU A 125 5.753 9.405 -2.697 1.00 0.00 H new ATOM 0 HA LEU A 125 5.644 10.966 -0.391 1.00 0.00 H new ATOM 0 HB2 LEU A 125 4.053 9.026 -1.855 1.00 0.00 H new ATOM 0 HB3 LEU A 125 3.938 8.672 -0.143 1.00 0.00 H new ATOM 0 HG LEU A 125 2.090 10.027 -0.798 1.00 0.00 H new ATOM 0 HD11 LEU A 125 2.325 11.943 0.710 1.00 0.00 H new ATOM 0 HD12 LEU A 125 2.971 10.444 1.418 1.00 0.00 H new ATOM 0 HD13 LEU A 125 4.082 11.672 0.768 1.00 0.00 H new ATOM 0 HD21 LEU A 125 2.364 12.295 -1.694 1.00 0.00 H new ATOM 0 HD22 LEU A 125 4.123 12.038 -1.781 1.00 0.00 H new ATOM 0 HD23 LEU A 125 3.029 11.056 -2.784 1.00 0.00 H new ATOM 368 N LEU A 126 6.385 7.780 0.152 1.00 0.00 N ATOM 369 CA LEU A 126 6.938 6.841 1.117 1.00 0.00 C ATOM 370 C LEU A 126 8.449 6.965 1.261 1.00 0.00 C ATOM 371 O LEU A 126 8.960 7.101 2.370 1.00 0.00 O ATOM 372 CB LEU A 126 6.561 5.422 0.726 1.00 0.00 C ATOM 373 CG LEU A 126 5.070 5.130 0.798 1.00 0.00 C ATOM 374 CD1 LEU A 126 4.755 3.833 0.088 1.00 0.00 C ATOM 375 CD2 LEU A 126 4.609 5.068 2.248 1.00 0.00 C ATOM 0 H LEU A 126 6.132 7.361 -0.743 1.00 0.00 H new ATOM 0 HA LEU A 126 6.509 7.085 2.089 1.00 0.00 H new ATOM 0 HB2 LEU A 126 6.908 5.233 -0.290 1.00 0.00 H new ATOM 0 HB3 LEU A 126 7.088 4.725 1.378 1.00 0.00 H new ATOM 0 HG LEU A 126 4.534 5.938 0.300 1.00 0.00 H new ATOM 0 HD11 LEU A 126 3.685 3.636 0.147 1.00 0.00 H new ATOM 0 HD12 LEU A 126 5.053 3.909 -0.958 1.00 0.00 H new ATOM 0 HD13 LEU A 126 5.301 3.017 0.562 1.00 0.00 H new ATOM 0 HD21 LEU A 126 3.540 4.858 2.281 1.00 0.00 H new ATOM 0 HD22 LEU A 126 5.150 4.278 2.768 1.00 0.00 H new ATOM 0 HD23 LEU A 126 4.807 6.024 2.734 1.00 0.00 H new ATOM 387 N THR A 127 9.150 6.914 0.137 1.00 0.00 N ATOM 388 CA THR A 127 10.606 6.822 0.128 1.00 0.00 C ATOM 389 C THR A 127 11.258 8.074 0.720 1.00 0.00 C ATOM 390 O THR A 127 12.313 7.994 1.352 1.00 0.00 O ATOM 391 CB THR A 127 11.119 6.587 -1.311 1.00 0.00 C ATOM 392 OG1 THR A 127 10.285 5.627 -1.962 1.00 0.00 O ATOM 393 CG2 THR A 127 12.548 6.068 -1.327 1.00 0.00 C ATOM 0 H THR A 127 8.729 6.935 -0.792 1.00 0.00 H new ATOM 0 HA THR A 127 10.885 5.974 0.754 1.00 0.00 H new ATOM 0 HB THR A 127 11.092 7.546 -1.828 1.00 0.00 H new ATOM 0 HG1 THR A 127 9.599 6.091 -2.486 1.00 0.00 H new ATOM 0 HG21 THR A 127 12.869 5.917 -2.358 1.00 0.00 H new ATOM 0 HG22 THR A 127 13.204 6.793 -0.846 1.00 0.00 H new ATOM 0 HG23 THR A 127 12.597 5.121 -0.789 1.00 0.00 H new ATOM 401 N GLU A 128 10.631 9.226 0.523 1.00 0.00 N ATOM 402 CA GLU A 128 11.174 10.471 1.041 1.00 0.00 C ATOM 403 C GLU A 128 10.544 10.860 2.380 1.00 0.00 C ATOM 404 O GLU A 128 11.251 11.155 3.344 1.00 0.00 O ATOM 405 CB GLU A 128 10.984 11.596 0.031 1.00 0.00 C ATOM 406 CG GLU A 128 11.589 11.293 -1.327 1.00 0.00 C ATOM 407 CD GLU A 128 13.045 10.875 -1.253 1.00 0.00 C ATOM 408 OE1 GLU A 128 13.907 11.743 -0.994 1.00 0.00 O ATOM 409 OE2 GLU A 128 13.336 9.682 -1.481 1.00 0.00 O1- ATOM 0 H GLU A 128 9.753 9.323 0.012 1.00 0.00 H new ATOM 0 HA GLU A 128 12.239 10.312 1.210 1.00 0.00 H new ATOM 0 HB2 GLU A 128 9.918 11.791 -0.089 1.00 0.00 H new ATOM 0 HB3 GLU A 128 11.432 12.508 0.425 1.00 0.00 H new ATOM 0 HG2 GLU A 128 11.014 10.500 -1.805 1.00 0.00 H new ATOM 0 HG3 GLU A 128 11.503 12.175 -1.961 1.00 0.00 H new ATOM 416 N LYS A 129 9.214 10.846 2.441 1.00 0.00 N ATOM 417 CA LYS A 129 8.496 11.404 3.589 1.00 0.00 C ATOM 418 C LYS A 129 8.201 10.363 4.669 1.00 0.00 C ATOM 419 O LYS A 129 8.001 10.713 5.836 1.00 0.00 O ATOM 420 CB LYS A 129 7.189 12.054 3.129 1.00 0.00 C ATOM 421 CG LYS A 129 7.397 13.210 2.165 1.00 0.00 C ATOM 422 CD LYS A 129 6.089 13.911 1.836 1.00 0.00 C ATOM 423 CE LYS A 129 6.329 15.156 0.998 1.00 0.00 C ATOM 424 NZ LYS A 129 5.071 15.902 0.722 1.00 0.00 N1+ ATOM 0 H LYS A 129 8.613 10.457 1.714 1.00 0.00 H new ATOM 0 HA LYS A 129 9.151 12.154 4.034 1.00 0.00 H new ATOM 0 HB2 LYS A 129 6.565 11.299 2.650 1.00 0.00 H new ATOM 0 HB3 LYS A 129 6.643 12.412 4.002 1.00 0.00 H new ATOM 0 HG2 LYS A 129 8.094 13.926 2.601 1.00 0.00 H new ATOM 0 HG3 LYS A 129 7.853 12.840 1.246 1.00 0.00 H new ATOM 0 HD2 LYS A 129 5.433 13.228 1.297 1.00 0.00 H new ATOM 0 HD3 LYS A 129 5.577 14.184 2.759 1.00 0.00 H new ATOM 0 HE2 LYS A 129 7.031 15.810 1.516 1.00 0.00 H new ATOM 0 HE3 LYS A 129 6.795 14.872 0.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 5.301 16.861 0.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 4.527 15.405 -0.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 4.504 15.961 1.592 1.00 0.00 H new ATOM 438 N GLY A 130 8.162 9.097 4.290 1.00 0.00 N ATOM 439 CA GLY A 130 7.849 8.052 5.249 1.00 0.00 C ATOM 440 C GLY A 130 9.090 7.365 5.776 1.00 0.00 C ATOM 441 O GLY A 130 10.155 7.977 5.863 1.00 0.00 O ATOM 0 H GLY A 130 8.340 8.771 3.340 1.00 0.00 H new ATOM 0 HA2 GLY A 130 7.293 8.481 6.082 1.00 0.00 H new ATOM 0 HA3 GLY A 130 7.200 7.313 4.779 1.00 0.00 H new ATOM 445 N LYS A 131 8.957 6.093 6.122 1.00 0.00 N ATOM 446 CA LYS A 131 10.085 5.291 6.582 1.00 0.00 C ATOM 447 C LYS A 131 9.813 3.820 6.298 1.00 0.00 C ATOM 448 O LYS A 131 8.723 3.470 5.856 1.00 0.00 O ATOM 449 CB LYS A 131 10.345 5.497 8.079 1.00 0.00 C ATOM 450 CG LYS A 131 9.180 5.089 8.965 1.00 0.00 C ATOM 451 CD LYS A 131 9.512 5.183 10.451 1.00 0.00 C ATOM 452 CE LYS A 131 10.468 4.083 10.912 1.00 0.00 C ATOM 453 NZ LYS A 131 11.903 4.423 10.690 1.00 0.00 N1+ ATOM 0 H LYS A 131 8.071 5.589 6.093 1.00 0.00 H new ATOM 0 HA LYS A 131 10.976 5.612 6.042 1.00 0.00 H new ATOM 0 HB2 LYS A 131 11.227 4.925 8.367 1.00 0.00 H new ATOM 0 HB3 LYS A 131 10.575 6.548 8.257 1.00 0.00 H new ATOM 0 HG2 LYS A 131 8.322 5.726 8.747 1.00 0.00 H new ATOM 0 HG3 LYS A 131 8.887 4.067 8.726 1.00 0.00 H new ATOM 0 HD2 LYS A 131 9.957 6.156 10.659 1.00 0.00 H new ATOM 0 HD3 LYS A 131 8.590 5.124 11.030 1.00 0.00 H new ATOM 0 HE2 LYS A 131 10.306 3.891 11.973 1.00 0.00 H new ATOM 0 HE3 LYS A 131 10.233 3.160 10.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 12.320 3.746 10.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 11.976 5.385 10.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 12.415 4.375 11.594 1.00 0.00 H new ATOM 467 N HIS A 132 10.798 2.969 6.539 1.00 0.00 N ATOM 468 CA HIS A 132 10.637 1.531 6.334 1.00 0.00 C ATOM 469 C HIS A 132 9.379 1.018 7.040 1.00 0.00 C ATOM 470 O HIS A 132 9.251 1.130 8.259 1.00 0.00 O ATOM 471 CB HIS A 132 11.882 0.797 6.847 1.00 0.00 C ATOM 472 CG HIS A 132 11.779 -0.696 6.828 1.00 0.00 C ATOM 473 ND1 HIS A 132 12.142 -1.461 5.747 1.00 0.00 N ATOM 474 CD2 HIS A 132 11.352 -1.565 7.774 1.00 0.00 C ATOM 475 CE1 HIS A 132 11.941 -2.733 6.023 1.00 0.00 C ATOM 476 NE2 HIS A 132 11.463 -2.826 7.248 1.00 0.00 N ATOM 0 H HIS A 132 11.720 3.246 6.877 1.00 0.00 H new ATOM 0 HA HIS A 132 10.523 1.337 5.268 1.00 0.00 H new ATOM 0 HB2 HIS A 132 12.738 1.096 6.243 1.00 0.00 H new ATOM 0 HB3 HIS A 132 12.083 1.121 7.868 1.00 0.00 H new ATOM 0 HD1 HIS A 132 12.510 -1.100 4.867 1.00 0.00 H new ATOM 0 HD2 HIS A 132 10.991 -1.312 8.760 1.00 0.00 H new ATOM 0 HE1 HIS A 132 12.135 -3.561 5.357 1.00 0.00 H new ATOM 485 N GLY A 133 8.448 0.474 6.266 1.00 0.00 N ATOM 486 CA GLY A 133 7.232 -0.061 6.843 1.00 0.00 C ATOM 487 C GLY A 133 6.035 0.857 6.679 1.00 0.00 C ATOM 488 O GLY A 133 4.927 0.510 7.090 1.00 0.00 O ATOM 0 H GLY A 133 8.514 0.394 5.251 1.00 0.00 H new ATOM 0 HA2 GLY A 133 7.010 -1.022 6.379 1.00 0.00 H new ATOM 0 HA3 GLY A 133 7.394 -0.249 7.904 1.00 0.00 H new ATOM 492 N SER A 134 6.246 2.035 6.105 1.00 0.00 N ATOM 493 CA SER A 134 5.144 2.956 5.868 1.00 0.00 C ATOM 494 C SER A 134 4.266 2.441 4.736 1.00 0.00 C ATOM 495 O SER A 134 4.775 1.925 3.736 1.00 0.00 O ATOM 496 CB SER A 134 5.662 4.358 5.536 1.00 0.00 C ATOM 497 OG SER A 134 6.601 4.323 4.476 1.00 0.00 O ATOM 0 H SER A 134 7.159 2.371 5.799 1.00 0.00 H new ATOM 0 HA SER A 134 4.551 3.019 6.780 1.00 0.00 H new ATOM 0 HB2 SER A 134 4.826 5.001 5.263 1.00 0.00 H new ATOM 0 HB3 SER A 134 6.125 4.796 6.420 1.00 0.00 H new ATOM 0 HG SER A 134 7.476 4.052 4.823 1.00 0.00 H new ATOM 503 N PHE A 135 2.959 2.579 4.894 1.00 0.00 N ATOM 504 CA PHE A 135 2.025 2.146 3.870 1.00 0.00 C ATOM 505 C PHE A 135 0.925 3.178 3.677 1.00 0.00 C ATOM 506 O PHE A 135 0.586 3.925 4.599 1.00 0.00 O ATOM 507 CB PHE A 135 1.418 0.781 4.225 1.00 0.00 C ATOM 508 CG PHE A 135 0.570 0.763 5.469 1.00 0.00 C ATOM 509 CD1 PHE A 135 -0.792 1.024 5.405 1.00 0.00 C ATOM 510 CD2 PHE A 135 1.132 0.466 6.699 1.00 0.00 C ATOM 511 CE1 PHE A 135 -1.571 0.990 6.544 1.00 0.00 C ATOM 512 CE2 PHE A 135 0.357 0.434 7.840 1.00 0.00 C ATOM 513 CZ PHE A 135 -0.995 0.694 7.763 1.00 0.00 C ATOM 0 H PHE A 135 2.523 2.987 5.721 1.00 0.00 H new ATOM 0 HA PHE A 135 2.575 2.044 2.934 1.00 0.00 H new ATOM 0 HB2 PHE A 135 0.811 0.441 3.386 1.00 0.00 H new ATOM 0 HB3 PHE A 135 2.227 0.061 4.345 1.00 0.00 H new ATOM 0 HD1 PHE A 135 -1.247 1.256 4.453 1.00 0.00 H new ATOM 0 HD2 PHE A 135 2.189 0.257 6.766 1.00 0.00 H new ATOM 0 HE1 PHE A 135 -2.630 1.195 6.482 1.00 0.00 H new ATOM 0 HE2 PHE A 135 0.809 0.205 8.794 1.00 0.00 H new ATOM 0 HZ PHE A 135 -1.603 0.666 8.655 1.00 0.00 H new ATOM 523 N LEU A 136 0.389 3.225 2.471 1.00 0.00 N ATOM 524 CA LEU A 136 -0.702 4.118 2.148 1.00 0.00 C ATOM 525 C LEU A 136 -1.507 3.519 1.003 1.00 0.00 C ATOM 526 O LEU A 136 -0.937 2.991 0.044 1.00 0.00 O ATOM 527 CB LEU A 136 -0.171 5.524 1.774 1.00 0.00 C ATOM 528 CG LEU A 136 0.453 5.686 0.373 1.00 0.00 C ATOM 529 CD1 LEU A 136 0.994 7.091 0.171 1.00 0.00 C ATOM 530 CD2 LEU A 136 1.577 4.708 0.148 1.00 0.00 C ATOM 0 H LEU A 136 0.699 2.645 1.691 1.00 0.00 H new ATOM 0 HA LEU A 136 -1.345 4.235 3.020 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -0.995 6.232 1.862 1.00 0.00 H new ATOM 0 HB3 LEU A 136 0.577 5.812 2.513 1.00 0.00 H new ATOM 0 HG LEU A 136 -0.345 5.491 -0.343 1.00 0.00 H new ATOM 0 HD11 LEU A 136 1.427 7.174 -0.826 1.00 0.00 H new ATOM 0 HD12 LEU A 136 0.183 7.812 0.275 1.00 0.00 H new ATOM 0 HD13 LEU A 136 1.760 7.297 0.918 1.00 0.00 H new ATOM 0 HD21 LEU A 136 1.991 4.853 -0.850 1.00 0.00 H new ATOM 0 HD22 LEU A 136 2.357 4.872 0.892 1.00 0.00 H new ATOM 0 HD23 LEU A 136 1.197 3.690 0.239 1.00 0.00 H new ATOM 542 N VAL A 137 -2.820 3.558 1.100 1.00 0.00 N ATOM 543 CA VAL A 137 -3.639 3.100 0.000 1.00 0.00 C ATOM 544 C VAL A 137 -4.048 4.303 -0.821 1.00 0.00 C ATOM 545 O VAL A 137 -4.280 5.385 -0.285 1.00 0.00 O ATOM 546 CB VAL A 137 -4.887 2.302 0.438 1.00 0.00 C ATOM 547 CG1 VAL A 137 -4.520 1.211 1.429 1.00 0.00 C ATOM 548 CG2 VAL A 137 -5.960 3.209 0.990 1.00 0.00 C ATOM 0 H VAL A 137 -3.334 3.896 1.914 1.00 0.00 H new ATOM 0 HA VAL A 137 -3.040 2.403 -0.587 1.00 0.00 H new ATOM 0 HB VAL A 137 -5.296 1.820 -0.450 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -5.418 0.666 1.719 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -3.812 0.523 0.967 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -4.066 1.660 2.313 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -6.823 2.613 1.288 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -5.573 3.745 1.856 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -6.260 3.925 0.225 1.00 0.00 H new ATOM 558 N ARG A 138 -4.089 4.126 -2.113 1.00 0.00 N ATOM 559 CA ARG A 138 -4.286 5.239 -3.010 1.00 0.00 C ATOM 560 C ARG A 138 -5.059 4.808 -4.234 1.00 0.00 C ATOM 561 O ARG A 138 -5.119 3.620 -4.550 1.00 0.00 O ATOM 562 CB ARG A 138 -2.927 5.787 -3.421 1.00 0.00 C ATOM 563 CG ARG A 138 -1.939 4.695 -3.813 1.00 0.00 C ATOM 564 CD ARG A 138 -0.700 5.261 -4.479 1.00 0.00 C ATOM 565 NE ARG A 138 -0.664 4.966 -5.917 1.00 0.00 N ATOM 566 CZ ARG A 138 -1.369 5.607 -6.840 1.00 0.00 C ATOM 567 NH1 ARG A 138 -2.214 6.563 -6.497 1.00 0.00 N1+ ATOM 568 NH2 ARG A 138 -1.233 5.277 -8.111 1.00 0.00 N ATOM 0 H ARG A 138 -3.989 3.221 -2.572 1.00 0.00 H new ATOM 0 HA ARG A 138 -4.861 6.012 -2.501 1.00 0.00 H new ATOM 0 HB2 ARG A 138 -3.056 6.471 -4.260 1.00 0.00 H new ATOM 0 HB3 ARG A 138 -2.511 6.367 -2.597 1.00 0.00 H new ATOM 0 HG2 ARG A 138 -1.649 4.133 -2.925 1.00 0.00 H new ATOM 0 HG3 ARG A 138 -2.425 3.992 -4.490 1.00 0.00 H new ATOM 0 HD2 ARG A 138 -0.669 6.340 -4.330 1.00 0.00 H new ATOM 0 HD3 ARG A 138 0.189 4.848 -4.002 1.00 0.00 H new ATOM 0 HE ARG A 138 -0.052 4.212 -6.229 1.00 0.00 H new ATOM 0 HH11 ARG A 138 -2.329 6.814 -5.515 1.00 0.00 H new ATOM 0 HH12 ARG A 138 -2.752 7.050 -7.214 1.00 0.00 H new ATOM 0 HH21 ARG A 138 -0.589 4.533 -8.379 1.00 0.00 H new ATOM 0 HH22 ARG A 138 -1.772 5.766 -8.825 1.00 0.00 H new ATOM 582 N GLU A 139 -5.650 5.771 -4.917 1.00 0.00 N ATOM 583 CA GLU A 139 -6.370 5.484 -6.139 1.00 0.00 C ATOM 584 C GLU A 139 -5.392 5.317 -7.292 1.00 0.00 C ATOM 585 O GLU A 139 -4.757 6.287 -7.721 1.00 0.00 O ATOM 586 CB GLU A 139 -7.357 6.602 -6.466 1.00 0.00 C ATOM 587 CG GLU A 139 -8.345 6.888 -5.349 1.00 0.00 C ATOM 588 CD GLU A 139 -9.526 7.697 -5.830 1.00 0.00 C ATOM 589 OE1 GLU A 139 -10.455 7.097 -6.409 1.00 0.00 O ATOM 590 OE2 GLU A 139 -9.536 8.930 -5.644 1.00 0.00 O1- ATOM 0 H GLU A 139 -5.645 6.754 -4.646 1.00 0.00 H new ATOM 0 HA GLU A 139 -6.927 4.558 -5.995 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -6.801 7.512 -6.689 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -7.908 6.336 -7.368 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -8.698 5.947 -4.928 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -7.840 7.426 -4.547 1.00 0.00 H new ATOM 597 N SER A 140 -5.259 4.093 -7.783 1.00 0.00 N ATOM 598 CA SER A 140 -4.355 3.813 -8.885 1.00 0.00 C ATOM 599 C SER A 140 -4.852 4.498 -10.152 1.00 0.00 C ATOM 600 O SER A 140 -6.002 4.319 -10.551 1.00 0.00 O ATOM 601 CB SER A 140 -4.238 2.306 -9.123 1.00 0.00 C ATOM 602 OG SER A 140 -3.334 2.021 -10.182 1.00 0.00 O ATOM 0 H SER A 140 -5.766 3.280 -7.435 1.00 0.00 H new ATOM 0 HA SER A 140 -3.369 4.200 -8.627 1.00 0.00 H new ATOM 0 HB2 SER A 140 -3.899 1.816 -8.210 1.00 0.00 H new ATOM 0 HB3 SER A 140 -5.220 1.895 -9.359 1.00 0.00 H new ATOM 0 HG SER A 140 -3.277 1.051 -10.311 1.00 0.00 H new ATOM 608 N GLN A 141 -4.002 5.307 -10.763 1.00 0.00 N ATOM 609 CA GLN A 141 -4.336 5.924 -12.034 1.00 0.00 C ATOM 610 C GLN A 141 -3.860 5.026 -13.166 1.00 0.00 C ATOM 611 O GLN A 141 -4.270 5.180 -14.314 1.00 0.00 O ATOM 612 CB GLN A 141 -3.721 7.325 -12.144 1.00 0.00 C ATOM 613 CG GLN A 141 -4.224 8.283 -11.076 1.00 0.00 C ATOM 614 CD GLN A 141 -3.695 9.692 -11.247 1.00 0.00 C ATOM 615 OE1 GLN A 141 -4.275 10.508 -11.961 1.00 0.00 O ATOM 616 NE2 GLN A 141 -2.613 9.998 -10.557 1.00 0.00 N ATOM 0 H GLN A 141 -3.080 5.550 -10.401 1.00 0.00 H new ATOM 0 HA GLN A 141 -5.418 6.041 -12.102 1.00 0.00 H new ATOM 0 HB2 GLN A 141 -2.636 7.246 -12.071 1.00 0.00 H new ATOM 0 HB3 GLN A 141 -3.945 7.737 -13.128 1.00 0.00 H new ATOM 0 HG2 GLN A 141 -5.314 8.305 -11.099 1.00 0.00 H new ATOM 0 HG3 GLN A 141 -3.934 7.909 -10.094 1.00 0.00 H new ATOM 0 HE21 GLN A 141 -2.162 9.291 -9.976 1.00 0.00 H new ATOM 0 HE22 GLN A 141 -2.228 10.941 -10.604 1.00 0.00 H new ATOM 625 N SER A 142 -2.993 4.078 -12.825 1.00 0.00 N ATOM 626 CA SER A 142 -2.578 3.052 -13.762 1.00 0.00 C ATOM 627 C SER A 142 -3.733 2.075 -13.958 1.00 0.00 C ATOM 628 O SER A 142 -3.997 1.613 -15.067 1.00 0.00 O ATOM 629 CB SER A 142 -1.331 2.321 -13.247 1.00 0.00 C ATOM 630 OG SER A 142 -0.836 1.395 -14.205 1.00 0.00 O ATOM 0 H SER A 142 -2.565 4.003 -11.902 1.00 0.00 H new ATOM 0 HA SER A 142 -2.320 3.510 -14.717 1.00 0.00 H new ATOM 0 HB2 SER A 142 -0.555 3.048 -13.008 1.00 0.00 H new ATOM 0 HB3 SER A 142 -1.572 1.796 -12.323 1.00 0.00 H new ATOM 0 HG SER A 142 -0.041 0.947 -13.847 1.00 0.00 H new ATOM 636 N HIS A 143 -4.422 1.776 -12.866 1.00 0.00 N ATOM 637 CA HIS A 143 -5.643 0.983 -12.912 1.00 0.00 C ATOM 638 C HIS A 143 -6.806 1.804 -12.362 1.00 0.00 C ATOM 639 O HIS A 143 -7.181 1.663 -11.198 1.00 0.00 O ATOM 640 CB HIS A 143 -5.479 -0.315 -12.114 1.00 0.00 C ATOM 641 CG HIS A 143 -4.611 -1.330 -12.793 1.00 0.00 C ATOM 642 ND1 HIS A 143 -5.113 -2.458 -13.407 1.00 0.00 N ATOM 643 CD2 HIS A 143 -3.267 -1.387 -12.952 1.00 0.00 C ATOM 644 CE1 HIS A 143 -4.118 -3.161 -13.913 1.00 0.00 C ATOM 645 NE2 HIS A 143 -2.989 -2.533 -13.652 1.00 0.00 N ATOM 0 H HIS A 143 -4.153 2.074 -11.928 1.00 0.00 H new ATOM 0 HA HIS A 143 -5.851 0.716 -13.948 1.00 0.00 H new ATOM 0 HB2 HIS A 143 -5.054 -0.081 -11.138 1.00 0.00 H new ATOM 0 HB3 HIS A 143 -6.463 -0.750 -11.937 1.00 0.00 H new ATOM 0 HD2 HIS A 143 -2.548 -0.665 -12.594 1.00 0.00 H new ATOM 0 HE1 HIS A 143 -4.213 -4.093 -14.450 1.00 0.00 H new ATOM 0 HE2 HIS A 143 -2.059 -2.848 -13.926 1.00 0.00 H new ATOM 654 N PRO A 144 -7.386 2.681 -13.202 1.00 0.00 N ATOM 655 CA PRO A 144 -8.411 3.642 -12.774 1.00 0.00 C ATOM 656 C PRO A 144 -9.644 2.971 -12.178 1.00 0.00 C ATOM 657 O PRO A 144 -10.160 1.988 -12.716 1.00 0.00 O ATOM 658 CB PRO A 144 -8.777 4.391 -14.060 1.00 0.00 C ATOM 659 CG PRO A 144 -8.299 3.523 -15.172 1.00 0.00 C ATOM 660 CD PRO A 144 -7.098 2.798 -14.642 1.00 0.00 C ATOM 0 HA PRO A 144 -8.037 4.290 -11.982 1.00 0.00 H new ATOM 0 HB2 PRO A 144 -9.852 4.557 -14.126 1.00 0.00 H new ATOM 0 HB3 PRO A 144 -8.300 5.371 -14.093 1.00 0.00 H new ATOM 0 HG2 PRO A 144 -9.074 2.821 -15.480 1.00 0.00 H new ATOM 0 HG3 PRO A 144 -8.041 4.118 -16.048 1.00 0.00 H new ATOM 0 HD2 PRO A 144 -6.978 1.821 -15.110 1.00 0.00 H new ATOM 0 HD3 PRO A 144 -6.178 3.354 -14.825 1.00 0.00 H new ATOM 668 N GLY A 145 -10.099 3.506 -11.052 1.00 0.00 N ATOM 669 CA GLY A 145 -11.272 2.973 -10.390 1.00 0.00 C ATOM 670 C GLY A 145 -10.910 2.077 -9.226 1.00 0.00 C ATOM 671 O GLY A 145 -11.714 1.864 -8.318 1.00 0.00 O ATOM 0 H GLY A 145 -9.672 4.305 -10.583 1.00 0.00 H new ATOM 0 HA2 GLY A 145 -11.892 3.796 -10.035 1.00 0.00 H new ATOM 0 HA3 GLY A 145 -11.869 2.411 -11.108 1.00 0.00 H new ATOM 675 N ASP A 146 -9.693 1.560 -9.246 1.00 0.00 N ATOM 676 CA ASP A 146 -9.232 0.648 -8.213 1.00 0.00 C ATOM 677 C ASP A 146 -8.318 1.356 -7.228 1.00 0.00 C ATOM 678 O ASP A 146 -7.909 2.502 -7.443 1.00 0.00 O ATOM 679 CB ASP A 146 -8.503 -0.546 -8.836 1.00 0.00 C ATOM 680 CG ASP A 146 -9.447 -1.504 -9.533 1.00 0.00 C ATOM 681 OD1 ASP A 146 -9.797 -1.261 -10.707 1.00 0.00 O ATOM 682 OD2 ASP A 146 -9.844 -2.513 -8.914 1.00 0.00 O1- ATOM 0 H ASP A 146 -9.003 1.758 -9.971 1.00 0.00 H new ATOM 0 HA ASP A 146 -10.107 0.287 -7.673 1.00 0.00 H new ATOM 0 HB2 ASP A 146 -7.765 -0.184 -9.552 1.00 0.00 H new ATOM 0 HB3 ASP A 146 -7.957 -1.080 -8.058 1.00 0.00 H new ATOM 687 N PHE A 147 -8.007 0.666 -6.143 1.00 0.00 N ATOM 688 CA PHE A 147 -7.130 1.200 -5.118 1.00 0.00 C ATOM 689 C PHE A 147 -5.887 0.338 -5.023 1.00 0.00 C ATOM 690 O PHE A 147 -5.937 -0.857 -5.304 1.00 0.00 O ATOM 691 CB PHE A 147 -7.835 1.231 -3.758 1.00 0.00 C ATOM 692 CG PHE A 147 -9.121 2.007 -3.748 1.00 0.00 C ATOM 693 CD1 PHE A 147 -10.330 1.367 -3.960 1.00 0.00 C ATOM 694 CD2 PHE A 147 -9.122 3.372 -3.517 1.00 0.00 C ATOM 695 CE1 PHE A 147 -11.516 2.074 -3.944 1.00 0.00 C ATOM 696 CE2 PHE A 147 -10.306 4.084 -3.500 1.00 0.00 C ATOM 697 CZ PHE A 147 -11.505 3.435 -3.713 1.00 0.00 C ATOM 0 H PHE A 147 -8.353 -0.274 -5.950 1.00 0.00 H new ATOM 0 HA PHE A 147 -6.858 2.220 -5.389 1.00 0.00 H new ATOM 0 HB2 PHE A 147 -8.039 0.207 -3.444 1.00 0.00 H new ATOM 0 HB3 PHE A 147 -7.158 1.662 -3.020 1.00 0.00 H new ATOM 0 HD1 PHE A 147 -10.346 0.302 -4.140 1.00 0.00 H new ATOM 0 HD2 PHE A 147 -8.187 3.886 -3.348 1.00 0.00 H new ATOM 0 HE1 PHE A 147 -12.452 1.562 -4.112 1.00 0.00 H new ATOM 0 HE2 PHE A 147 -10.293 5.149 -3.320 1.00 0.00 H new ATOM 0 HZ PHE A 147 -12.431 3.990 -3.699 1.00 0.00 H new ATOM 707 N VAL A 148 -4.773 0.935 -4.649 1.00 0.00 N ATOM 708 CA VAL A 148 -3.549 0.181 -4.467 1.00 0.00 C ATOM 709 C VAL A 148 -2.885 0.528 -3.144 1.00 0.00 C ATOM 710 O VAL A 148 -2.847 1.689 -2.735 1.00 0.00 O ATOM 711 CB VAL A 148 -2.549 0.393 -5.628 1.00 0.00 C ATOM 712 CG1 VAL A 148 -3.118 -0.129 -6.932 1.00 0.00 C ATOM 713 CG2 VAL A 148 -2.169 1.844 -5.788 1.00 0.00 C ATOM 0 H VAL A 148 -4.690 1.935 -4.466 1.00 0.00 H new ATOM 0 HA VAL A 148 -3.832 -0.871 -4.460 1.00 0.00 H new ATOM 0 HB VAL A 148 -1.649 -0.168 -5.376 1.00 0.00 H new ATOM 0 HG11 VAL A 148 -2.397 0.031 -7.734 1.00 0.00 H new ATOM 0 HG12 VAL A 148 -3.325 -1.195 -6.838 1.00 0.00 H new ATOM 0 HG13 VAL A 148 -4.042 0.401 -7.164 1.00 0.00 H new ATOM 0 HG21 VAL A 148 -1.466 1.947 -6.614 1.00 0.00 H new ATOM 0 HG22 VAL A 148 -3.062 2.433 -5.996 1.00 0.00 H new ATOM 0 HG23 VAL A 148 -1.704 2.202 -4.869 1.00 0.00 H new ATOM 723 N LEU A 149 -2.383 -0.491 -2.475 1.00 0.00 N ATOM 724 CA LEU A 149 -1.671 -0.320 -1.224 1.00 0.00 C ATOM 725 C LEU A 149 -0.191 -0.182 -1.522 1.00 0.00 C ATOM 726 O LEU A 149 0.454 -1.141 -1.914 1.00 0.00 O ATOM 727 CB LEU A 149 -1.902 -1.543 -0.329 1.00 0.00 C ATOM 728 CG LEU A 149 -1.253 -1.490 1.050 1.00 0.00 C ATOM 729 CD1 LEU A 149 -2.310 -1.540 2.140 1.00 0.00 C ATOM 730 CD2 LEU A 149 -0.278 -2.636 1.218 1.00 0.00 C ATOM 0 H LEU A 149 -2.457 -1.461 -2.783 1.00 0.00 H new ATOM 0 HA LEU A 149 -2.032 0.571 -0.710 1.00 0.00 H new ATOM 0 HB2 LEU A 149 -2.976 -1.677 -0.199 1.00 0.00 H new ATOM 0 HB3 LEU A 149 -1.532 -2.426 -0.850 1.00 0.00 H new ATOM 0 HG LEU A 149 -0.709 -0.550 1.136 1.00 0.00 H new ATOM 0 HD11 LEU A 149 -1.828 -1.501 3.117 1.00 0.00 H new ATOM 0 HD12 LEU A 149 -2.983 -0.689 2.034 1.00 0.00 H new ATOM 0 HD13 LEU A 149 -2.879 -2.466 2.053 1.00 0.00 H new ATOM 0 HD21 LEU A 149 0.177 -2.585 2.207 1.00 0.00 H new ATOM 0 HD22 LEU A 149 -0.807 -3.583 1.111 1.00 0.00 H new ATOM 0 HD23 LEU A 149 0.499 -2.567 0.457 1.00 0.00 H new ATOM 742 N SER A 150 0.354 0.993 -1.344 1.00 0.00 N ATOM 743 CA SER A 150 1.756 1.187 -1.632 1.00 0.00 C ATOM 744 C SER A 150 2.538 1.186 -0.327 1.00 0.00 C ATOM 745 O SER A 150 2.126 1.804 0.653 1.00 0.00 O ATOM 746 CB SER A 150 1.958 2.476 -2.428 1.00 0.00 C ATOM 747 OG SER A 150 0.953 2.609 -3.423 1.00 0.00 O ATOM 0 H SER A 150 -0.139 1.820 -1.007 1.00 0.00 H new ATOM 0 HA SER A 150 2.130 0.371 -2.250 1.00 0.00 H new ATOM 0 HB2 SER A 150 1.928 3.334 -1.756 1.00 0.00 H new ATOM 0 HB3 SER A 150 2.943 2.471 -2.896 1.00 0.00 H new ATOM 0 HG SER A 150 1.323 2.362 -4.296 1.00 0.00 H new ATOM 753 N VAL A 151 3.635 0.452 -0.302 1.00 0.00 N ATOM 754 CA VAL A 151 4.387 0.253 0.925 1.00 0.00 C ATOM 755 C VAL A 151 5.874 0.471 0.704 1.00 0.00 C ATOM 756 O VAL A 151 6.380 0.305 -0.407 1.00 0.00 O ATOM 757 CB VAL A 151 4.170 -1.168 1.474 1.00 0.00 C ATOM 758 CG1 VAL A 151 2.723 -1.384 1.851 1.00 0.00 C ATOM 759 CG2 VAL A 151 4.605 -2.200 0.462 1.00 0.00 C ATOM 0 H VAL A 151 4.026 -0.017 -1.119 1.00 0.00 H new ATOM 0 HA VAL A 151 4.022 0.985 1.646 1.00 0.00 H new ATOM 0 HB VAL A 151 4.779 -1.280 2.371 1.00 0.00 H new ATOM 0 HG11 VAL A 151 2.594 -2.395 2.236 1.00 0.00 H new ATOM 0 HG12 VAL A 151 2.435 -0.664 2.618 1.00 0.00 H new ATOM 0 HG13 VAL A 151 2.094 -1.248 0.971 1.00 0.00 H new ATOM 0 HG21 VAL A 151 4.444 -3.199 0.868 1.00 0.00 H new ATOM 0 HG22 VAL A 151 4.023 -2.082 -0.452 1.00 0.00 H new ATOM 0 HG23 VAL A 151 5.663 -2.066 0.238 1.00 0.00 H new ATOM 769 N ARG A 152 6.567 0.845 1.767 1.00 0.00 N ATOM 770 CA ARG A 152 8.002 1.048 1.703 1.00 0.00 C ATOM 771 C ARG A 152 8.732 -0.173 2.255 1.00 0.00 C ATOM 772 O ARG A 152 8.804 -0.381 3.470 1.00 0.00 O ATOM 773 CB ARG A 152 8.385 2.309 2.478 1.00 0.00 C ATOM 774 CG ARG A 152 9.858 2.667 2.392 1.00 0.00 C ATOM 775 CD ARG A 152 10.123 4.046 2.973 1.00 0.00 C ATOM 776 NE ARG A 152 11.552 4.330 3.093 1.00 0.00 N ATOM 777 CZ ARG A 152 12.052 5.502 3.478 1.00 0.00 C ATOM 778 NH1 ARG A 152 11.253 6.535 3.681 1.00 0.00 N1+ ATOM 779 NH2 ARG A 152 13.358 5.650 3.622 1.00 0.00 N ATOM 0 H ARG A 152 6.157 1.014 2.685 1.00 0.00 H new ATOM 0 HA ARG A 152 8.299 1.179 0.662 1.00 0.00 H new ATOM 0 HB2 ARG A 152 7.796 3.146 2.102 1.00 0.00 H new ATOM 0 HB3 ARG A 152 8.116 2.174 3.526 1.00 0.00 H new ATOM 0 HG2 ARG A 152 10.448 1.924 2.929 1.00 0.00 H new ATOM 0 HG3 ARG A 152 10.182 2.640 1.351 1.00 0.00 H new ATOM 0 HD2 ARG A 152 9.656 4.801 2.340 1.00 0.00 H new ATOM 0 HD3 ARG A 152 9.656 4.120 3.955 1.00 0.00 H new ATOM 0 HE ARG A 152 12.208 3.582 2.867 1.00 0.00 H new ATOM 0 HH11 ARG A 152 10.247 6.437 3.543 1.00 0.00 H new ATOM 0 HH12 ARG A 152 11.642 7.431 3.976 1.00 0.00 H new ATOM 0 HH21 ARG A 152 13.984 4.866 3.438 1.00 0.00 H new ATOM 0 HH22 ARG A 152 13.740 6.549 3.917 1.00 0.00 H new ATOM 793 N THR A 153 9.274 -0.964 1.346 1.00 0.00 N ATOM 794 CA THR A 153 9.966 -2.199 1.679 1.00 0.00 C ATOM 795 C THR A 153 11.469 -2.042 1.467 1.00 0.00 C ATOM 796 O THR A 153 11.900 -1.288 0.594 1.00 0.00 O ATOM 797 CB THR A 153 9.434 -3.365 0.824 1.00 0.00 C ATOM 798 OG1 THR A 153 9.335 -2.963 -0.548 1.00 0.00 O ATOM 799 CG2 THR A 153 8.070 -3.811 1.326 1.00 0.00 C ATOM 0 H THR A 153 9.246 -0.766 0.346 1.00 0.00 H new ATOM 0 HA THR A 153 9.780 -2.421 2.730 1.00 0.00 H new ATOM 0 HB THR A 153 10.131 -4.200 0.905 1.00 0.00 H new ATOM 0 HG1 THR A 153 9.946 -2.215 -0.715 1.00 0.00 H new ATOM 0 HG21 THR A 153 7.708 -4.635 0.712 1.00 0.00 H new ATOM 0 HG22 THR A 153 8.153 -4.140 2.362 1.00 0.00 H new ATOM 0 HG23 THR A 153 7.370 -2.978 1.265 1.00 0.00 H new ATOM 807 N GLY A 154 12.263 -2.726 2.276 1.00 0.00 N ATOM 808 CA GLY A 154 13.702 -2.605 2.164 1.00 0.00 C ATOM 809 C GLY A 154 14.247 -1.478 3.015 1.00 0.00 C ATOM 810 O GLY A 154 13.480 -0.697 3.586 1.00 0.00 O ATOM 0 H GLY A 154 11.939 -3.361 3.006 1.00 0.00 H new ATOM 0 HA2 GLY A 154 14.169 -3.543 2.464 1.00 0.00 H new ATOM 0 HA3 GLY A 154 13.971 -2.434 1.122 1.00 0.00 H new ATOM 959 N LYS A 166 12.493 0.477 -1.463 1.00 0.00 N ATOM 960 CA LYS A 166 11.659 0.041 -2.564 1.00 0.00 C ATOM 961 C LYS A 166 10.190 0.197 -2.220 1.00 0.00 C ATOM 962 O LYS A 166 9.728 -0.319 -1.205 1.00 0.00 O ATOM 963 CB LYS A 166 11.952 -1.419 -2.918 1.00 0.00 C ATOM 964 CG LYS A 166 12.502 -1.604 -4.323 1.00 0.00 C ATOM 965 CD LYS A 166 11.601 -0.962 -5.367 1.00 0.00 C ATOM 966 CE LYS A 166 10.250 -1.658 -5.456 1.00 0.00 C ATOM 967 NZ LYS A 166 9.345 -0.984 -6.422 1.00 0.00 N1+ ATOM 0 HA LYS A 166 11.888 0.668 -3.426 1.00 0.00 H new ATOM 0 HB2 LYS A 166 12.667 -1.822 -2.201 1.00 0.00 H new ATOM 0 HB3 LYS A 166 11.036 -2.000 -2.816 1.00 0.00 H new ATOM 0 HG2 LYS A 166 13.499 -1.168 -4.384 1.00 0.00 H new ATOM 0 HG3 LYS A 166 12.606 -2.668 -4.536 1.00 0.00 H new ATOM 0 HD2 LYS A 166 11.452 0.089 -5.121 1.00 0.00 H new ATOM 0 HD3 LYS A 166 12.091 -0.995 -6.340 1.00 0.00 H new ATOM 0 HE2 LYS A 166 10.395 -2.696 -5.757 1.00 0.00 H new ATOM 0 HE3 LYS A 166 9.784 -1.674 -4.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 166 8.602 -0.473 -5.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 166 9.891 -0.312 -6.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 166 8.907 -1.695 -7.042 1.00 0.00 H new ATOM 981 N VAL A 167 9.455 0.911 -3.054 1.00 0.00 N ATOM 982 CA VAL A 167 8.025 1.048 -2.851 1.00 0.00 C ATOM 983 C VAL A 167 7.262 0.107 -3.767 1.00 0.00 C ATOM 984 O VAL A 167 7.276 0.250 -4.991 1.00 0.00 O ATOM 985 CB VAL A 167 7.551 2.501 -3.077 1.00 0.00 C ATOM 986 CG1 VAL A 167 6.034 2.596 -3.026 1.00 0.00 C ATOM 987 CG2 VAL A 167 8.157 3.419 -2.035 1.00 0.00 C ATOM 0 H VAL A 167 9.821 1.400 -3.871 1.00 0.00 H new ATOM 0 HA VAL A 167 7.819 0.784 -1.814 1.00 0.00 H new ATOM 0 HB VAL A 167 7.883 2.812 -4.068 1.00 0.00 H new ATOM 0 HG11 VAL A 167 5.729 3.630 -3.188 1.00 0.00 H new ATOM 0 HG12 VAL A 167 5.604 1.964 -3.803 1.00 0.00 H new ATOM 0 HG13 VAL A 167 5.681 2.262 -2.050 1.00 0.00 H new ATOM 0 HG21 VAL A 167 7.815 4.440 -2.206 1.00 0.00 H new ATOM 0 HG22 VAL A 167 7.849 3.095 -1.041 1.00 0.00 H new ATOM 0 HG23 VAL A 167 9.244 3.384 -2.107 1.00 0.00 H new ATOM 997 N THR A 168 6.611 -0.866 -3.160 1.00 0.00 N ATOM 998 CA THR A 168 5.759 -1.780 -3.873 1.00 0.00 C ATOM 999 C THR A 168 4.312 -1.337 -3.746 1.00 0.00 C ATOM 1000 O THR A 168 3.875 -0.909 -2.679 1.00 0.00 O ATOM 1001 CB THR A 168 5.914 -3.233 -3.359 1.00 0.00 C ATOM 1002 OG1 THR A 168 7.040 -3.863 -3.985 1.00 0.00 O ATOM 1003 CG2 THR A 168 4.650 -4.051 -3.607 1.00 0.00 C ATOM 0 H THR A 168 6.662 -1.040 -2.156 1.00 0.00 H new ATOM 0 HA THR A 168 6.059 -1.767 -4.921 1.00 0.00 H new ATOM 0 HB THR A 168 6.080 -3.190 -2.283 1.00 0.00 H new ATOM 0 HG1 THR A 168 6.843 -4.811 -4.135 1.00 0.00 H new ATOM 0 HG21 THR A 168 4.794 -5.065 -3.234 1.00 0.00 H new ATOM 0 HG22 THR A 168 3.810 -3.589 -3.088 1.00 0.00 H new ATOM 0 HG23 THR A 168 4.442 -4.084 -4.676 1.00 0.00 H new ATOM 1011 N HIS A 169 3.586 -1.409 -4.841 1.00 0.00 N ATOM 1012 CA HIS A 169 2.172 -1.100 -4.825 1.00 0.00 C ATOM 1013 C HIS A 169 1.399 -2.406 -4.931 1.00 0.00 C ATOM 1014 O HIS A 169 1.602 -3.159 -5.869 1.00 0.00 O ATOM 1015 CB HIS A 169 1.797 -0.177 -5.990 1.00 0.00 C ATOM 1016 CG HIS A 169 2.726 0.981 -6.215 1.00 0.00 C ATOM 1017 ND1 HIS A 169 2.502 2.241 -5.715 1.00 0.00 N ATOM 1018 CD2 HIS A 169 3.882 1.059 -6.916 1.00 0.00 C ATOM 1019 CE1 HIS A 169 3.476 3.044 -6.101 1.00 0.00 C ATOM 1020 NE2 HIS A 169 4.329 2.353 -6.833 1.00 0.00 N ATOM 0 H HIS A 169 3.952 -1.679 -5.754 1.00 0.00 H new ATOM 0 HA HIS A 169 1.925 -0.582 -3.898 1.00 0.00 H new ATOM 0 HB2 HIS A 169 1.755 -0.771 -6.903 1.00 0.00 H new ATOM 0 HB3 HIS A 169 0.794 0.212 -5.816 1.00 0.00 H new ATOM 0 HD2 HIS A 169 4.364 0.250 -7.444 1.00 0.00 H new ATOM 0 HE1 HIS A 169 3.561 4.093 -5.858 1.00 0.00 H new ATOM 0 HE2 HIS A 169 5.178 2.719 -7.264 1.00 0.00 H new ATOM 1029 N VAL A 170 0.541 -2.690 -3.968 1.00 0.00 N ATOM 1030 CA VAL A 170 -0.253 -3.910 -4.001 1.00 0.00 C ATOM 1031 C VAL A 170 -1.645 -3.572 -4.516 1.00 0.00 C ATOM 1032 O VAL A 170 -2.207 -2.535 -4.171 1.00 0.00 O ATOM 1033 CB VAL A 170 -0.337 -4.607 -2.606 1.00 0.00 C ATOM 1034 CG1 VAL A 170 0.769 -4.140 -1.678 1.00 0.00 C ATOM 1035 CG2 VAL A 170 -1.697 -4.431 -1.955 1.00 0.00 C ATOM 0 H VAL A 170 0.375 -2.097 -3.155 1.00 0.00 H new ATOM 0 HA VAL A 170 0.236 -4.619 -4.669 1.00 0.00 H new ATOM 0 HB VAL A 170 -0.198 -5.673 -2.786 1.00 0.00 H new ATOM 0 HG11 VAL A 170 0.677 -4.647 -0.718 1.00 0.00 H new ATOM 0 HG12 VAL A 170 1.738 -4.373 -2.120 1.00 0.00 H new ATOM 0 HG13 VAL A 170 0.688 -3.063 -1.529 1.00 0.00 H new ATOM 0 HG21 VAL A 170 -1.705 -4.933 -0.988 1.00 0.00 H new ATOM 0 HG22 VAL A 170 -1.898 -3.369 -1.814 1.00 0.00 H new ATOM 0 HG23 VAL A 170 -2.466 -4.864 -2.595 1.00 0.00 H new ATOM 1045 N MET A 171 -2.181 -4.420 -5.367 1.00 0.00 N ATOM 1046 CA MET A 171 -3.446 -4.135 -6.010 1.00 0.00 C ATOM 1047 C MET A 171 -4.614 -4.492 -5.100 1.00 0.00 C ATOM 1048 O MET A 171 -4.747 -5.637 -4.672 1.00 0.00 O ATOM 1049 CB MET A 171 -3.543 -4.899 -7.330 1.00 0.00 C ATOM 1050 CG MET A 171 -4.711 -4.471 -8.200 1.00 0.00 C ATOM 1051 SD MET A 171 -4.669 -2.717 -8.616 1.00 0.00 S ATOM 1052 CE MET A 171 -3.070 -2.596 -9.418 1.00 0.00 C ATOM 0 H MET A 171 -1.761 -5.312 -5.630 1.00 0.00 H new ATOM 0 HA MET A 171 -3.496 -3.066 -6.214 1.00 0.00 H new ATOM 0 HB2 MET A 171 -2.617 -4.761 -7.888 1.00 0.00 H new ATOM 0 HB3 MET A 171 -3.632 -5.964 -7.117 1.00 0.00 H new ATOM 0 HG2 MET A 171 -4.707 -5.057 -9.119 1.00 0.00 H new ATOM 0 HG3 MET A 171 -5.644 -4.695 -7.683 1.00 0.00 H new ATOM 0 HE1 MET A 171 -3.026 -1.679 -10.006 1.00 0.00 H new ATOM 0 HE2 MET A 171 -2.284 -2.580 -8.663 1.00 0.00 H new ATOM 0 HE3 MET A 171 -2.926 -3.455 -10.074 1.00 0.00 H new ATOM 1062 N ILE A 172 -5.449 -3.508 -4.794 1.00 0.00 N ATOM 1063 CA ILE A 172 -6.632 -3.737 -3.981 1.00 0.00 C ATOM 1064 C ILE A 172 -7.865 -3.809 -4.875 1.00 0.00 C ATOM 1065 O ILE A 172 -8.315 -2.796 -5.414 1.00 0.00 O ATOM 1066 CB ILE A 172 -6.842 -2.627 -2.922 1.00 0.00 C ATOM 1067 CG1 ILE A 172 -5.583 -2.436 -2.067 1.00 0.00 C ATOM 1068 CG2 ILE A 172 -8.038 -2.960 -2.042 1.00 0.00 C ATOM 1069 CD1 ILE A 172 -5.756 -1.433 -0.938 1.00 0.00 C ATOM 0 H ILE A 172 -5.327 -2.542 -5.098 1.00 0.00 H new ATOM 0 HA ILE A 172 -6.483 -4.680 -3.455 1.00 0.00 H new ATOM 0 HB ILE A 172 -7.039 -1.690 -3.444 1.00 0.00 H new ATOM 0 HG12 ILE A 172 -5.292 -3.398 -1.645 1.00 0.00 H new ATOM 0 HG13 ILE A 172 -4.765 -2.109 -2.709 1.00 0.00 H new ATOM 0 HG21 ILE A 172 -8.175 -2.172 -1.301 1.00 0.00 H new ATOM 0 HG22 ILE A 172 -8.933 -3.038 -2.659 1.00 0.00 H new ATOM 0 HG23 ILE A 172 -7.863 -3.909 -1.534 1.00 0.00 H new ATOM 0 HD11 ILE A 172 -4.825 -1.351 -0.378 1.00 0.00 H new ATOM 0 HD12 ILE A 172 -6.016 -0.459 -1.353 1.00 0.00 H new ATOM 0 HD13 ILE A 172 -6.552 -1.768 -0.272 1.00 0.00 H new ATOM 1081 N ARG A 173 -8.400 -5.006 -5.038 1.00 0.00 N ATOM 1082 CA ARG A 173 -9.573 -5.210 -5.871 1.00 0.00 C ATOM 1083 C ARG A 173 -10.824 -4.684 -5.179 1.00 0.00 C ATOM 1084 O ARG A 173 -11.299 -5.261 -4.201 1.00 0.00 O ATOM 1085 CB ARG A 173 -9.734 -6.696 -6.227 1.00 0.00 C ATOM 1086 CG ARG A 173 -9.657 -7.636 -5.034 1.00 0.00 C ATOM 1087 CD ARG A 173 -9.744 -9.098 -5.449 1.00 0.00 C ATOM 1088 NE ARG A 173 -8.685 -9.473 -6.385 1.00 0.00 N ATOM 1089 CZ ARG A 173 -7.858 -10.507 -6.214 1.00 0.00 C ATOM 1090 NH1 ARG A 173 -7.887 -11.219 -5.094 1.00 0.00 N1+ ATOM 1091 NH2 ARG A 173 -6.974 -10.802 -7.158 1.00 0.00 N ATOM 0 H ARG A 173 -8.039 -5.855 -4.603 1.00 0.00 H new ATOM 0 HA ARG A 173 -9.435 -4.650 -6.796 1.00 0.00 H new ATOM 0 HB2 ARG A 173 -10.694 -6.837 -6.725 1.00 0.00 H new ATOM 0 HB3 ARG A 173 -8.960 -6.972 -6.943 1.00 0.00 H new ATOM 0 HG2 ARG A 173 -8.722 -7.467 -4.500 1.00 0.00 H new ATOM 0 HG3 ARG A 173 -10.467 -7.408 -4.341 1.00 0.00 H new ATOM 0 HD2 ARG A 173 -9.683 -9.729 -4.563 1.00 0.00 H new ATOM 0 HD3 ARG A 173 -10.715 -9.286 -5.908 1.00 0.00 H new ATOM 0 HE ARG A 173 -8.570 -8.906 -7.225 1.00 0.00 H new ATOM 0 HH11 ARG A 173 -8.546 -10.978 -4.353 1.00 0.00 H new ATOM 0 HH12 ARG A 173 -7.251 -12.007 -4.974 1.00 0.00 H new ATOM 0 HH21 ARG A 173 -6.929 -10.240 -8.008 1.00 0.00 H new ATOM 0 HH22 ARG A 173 -6.339 -11.591 -7.034 1.00 0.00 H new ATOM 1105 N CYS A 174 -11.337 -3.568 -5.678 1.00 0.00 N ATOM 1106 CA CYS A 174 -12.577 -3.008 -5.172 1.00 0.00 C ATOM 1107 C CYS A 174 -13.763 -3.649 -5.882 1.00 0.00 C ATOM 1108 O CYS A 174 -14.076 -3.315 -7.028 1.00 0.00 O ATOM 1109 CB CYS A 174 -12.586 -1.488 -5.355 1.00 0.00 C ATOM 1110 SG CYS A 174 -12.060 -0.941 -6.997 1.00 0.00 S ATOM 0 H CYS A 174 -10.910 -3.033 -6.435 1.00 0.00 H new ATOM 0 HA CYS A 174 -12.657 -3.221 -4.106 1.00 0.00 H new ATOM 0 HB2 CYS A 174 -13.592 -1.115 -5.164 1.00 0.00 H new ATOM 0 HB3 CYS A 174 -11.933 -1.039 -4.607 1.00 0.00 H new ATOM 0 HG CYS A 174 -12.658 -1.655 -7.904 1.00 0.00 H new ATOM 1116 N GLN A 175 -14.400 -4.592 -5.208 1.00 0.00 N ATOM 1117 CA GLN A 175 -15.498 -5.344 -5.792 1.00 0.00 C ATOM 1118 C GLN A 175 -16.725 -5.310 -4.886 1.00 0.00 C ATOM 1119 O GLN A 175 -16.720 -5.884 -3.795 1.00 0.00 O ATOM 1120 CB GLN A 175 -15.056 -6.788 -6.056 1.00 0.00 C ATOM 1121 CG GLN A 175 -14.365 -7.444 -4.869 1.00 0.00 C ATOM 1122 CD GLN A 175 -13.919 -8.862 -5.155 1.00 0.00 C ATOM 1123 OE1 GLN A 175 -14.525 -9.572 -5.957 1.00 0.00 O ATOM 1124 NE2 GLN A 175 -12.856 -9.288 -4.494 1.00 0.00 N ATOM 0 H GLN A 175 -14.173 -4.856 -4.249 1.00 0.00 H new ATOM 0 HA GLN A 175 -15.774 -4.881 -6.740 1.00 0.00 H new ATOM 0 HB2 GLN A 175 -15.928 -7.381 -6.330 1.00 0.00 H new ATOM 0 HB3 GLN A 175 -14.380 -6.801 -6.911 1.00 0.00 H new ATOM 0 HG2 GLN A 175 -13.499 -6.847 -4.584 1.00 0.00 H new ATOM 0 HG3 GLN A 175 -15.044 -7.447 -4.016 1.00 0.00 H new ATOM 0 HE21 GLN A 175 -12.381 -8.668 -3.838 1.00 0.00 H new ATOM 0 HE22 GLN A 175 -12.511 -10.236 -4.641 1.00 0.00 H new ATOM 1133 N GLU A 176 -17.766 -4.616 -5.344 1.00 0.00 N ATOM 1134 CA GLU A 176 -19.001 -4.450 -4.578 1.00 0.00 C ATOM 1135 C GLU A 176 -18.707 -3.837 -3.214 1.00 0.00 C ATOM 1136 O GLU A 176 -19.226 -4.282 -2.190 1.00 0.00 O ATOM 1137 CB GLU A 176 -19.737 -5.787 -4.438 1.00 0.00 C ATOM 1138 CG GLU A 176 -20.360 -6.268 -5.740 1.00 0.00 C ATOM 1139 CD GLU A 176 -20.950 -7.659 -5.638 1.00 0.00 C ATOM 1140 OE1 GLU A 176 -21.888 -7.862 -4.838 1.00 0.00 O ATOM 1141 OE2 GLU A 176 -20.489 -8.559 -6.373 1.00 0.00 O1- ATOM 0 H GLU A 176 -17.778 -4.154 -6.253 1.00 0.00 H new ATOM 0 HA GLU A 176 -19.654 -3.766 -5.120 1.00 0.00 H new ATOM 0 HB2 GLU A 176 -19.039 -6.542 -4.076 1.00 0.00 H new ATOM 0 HB3 GLU A 176 -20.518 -5.687 -3.684 1.00 0.00 H new ATOM 0 HG2 GLU A 176 -21.141 -5.570 -6.042 1.00 0.00 H new ATOM 0 HG3 GLU A 176 -19.603 -6.258 -6.524 1.00 0.00 H new ATOM 1148 N LEU A 177 -17.844 -2.821 -3.227 1.00 0.00 N ATOM 1149 CA LEU A 177 -17.448 -2.089 -2.024 1.00 0.00 C ATOM 1150 C LEU A 177 -16.648 -2.960 -1.055 1.00 0.00 C ATOM 1151 O LEU A 177 -16.485 -2.609 0.115 1.00 0.00 O ATOM 1152 CB LEU A 177 -18.666 -1.480 -1.322 1.00 0.00 C ATOM 1153 CG LEU A 177 -19.394 -0.393 -2.114 1.00 0.00 C ATOM 1154 CD1 LEU A 177 -20.608 0.107 -1.346 1.00 0.00 C ATOM 1155 CD2 LEU A 177 -18.445 0.755 -2.413 1.00 0.00 C ATOM 0 H LEU A 177 -17.397 -2.481 -4.078 1.00 0.00 H new ATOM 0 HA LEU A 177 -16.795 -1.279 -2.349 1.00 0.00 H new ATOM 0 HB2 LEU A 177 -19.373 -2.278 -1.096 1.00 0.00 H new ATOM 0 HB3 LEU A 177 -18.344 -1.060 -0.369 1.00 0.00 H new ATOM 0 HG LEU A 177 -19.739 -0.819 -3.056 1.00 0.00 H new ATOM 0 HD11 LEU A 177 -21.112 0.880 -1.926 1.00 0.00 H new ATOM 0 HD12 LEU A 177 -21.294 -0.721 -1.171 1.00 0.00 H new ATOM 0 HD13 LEU A 177 -20.288 0.521 -0.390 1.00 0.00 H new ATOM 0 HD21 LEU A 177 -18.971 1.525 -2.977 1.00 0.00 H new ATOM 0 HD22 LEU A 177 -18.079 1.178 -1.477 1.00 0.00 H new ATOM 0 HD23 LEU A 177 -17.603 0.388 -2.999 1.00 0.00 H new ATOM 1167 N LYS A 178 -16.150 -4.090 -1.544 1.00 0.00 N ATOM 1168 CA LYS A 178 -15.241 -4.923 -0.769 1.00 0.00 C ATOM 1169 C LYS A 178 -13.826 -4.779 -1.306 1.00 0.00 C ATOM 1170 O LYS A 178 -13.624 -4.662 -2.516 1.00 0.00 O ATOM 1171 CB LYS A 178 -15.665 -6.397 -0.792 1.00 0.00 C ATOM 1172 CG LYS A 178 -16.458 -6.831 0.437 1.00 0.00 C ATOM 1173 CD LYS A 178 -17.852 -6.224 0.472 1.00 0.00 C ATOM 1174 CE LYS A 178 -18.768 -6.872 -0.553 1.00 0.00 C ATOM 1175 NZ LYS A 178 -20.153 -6.337 -0.477 1.00 0.00 N1+ ATOM 0 H LYS A 178 -16.361 -4.450 -2.475 1.00 0.00 H new ATOM 0 HA LYS A 178 -15.276 -4.585 0.267 1.00 0.00 H new ATOM 0 HB2 LYS A 178 -16.266 -6.578 -1.683 1.00 0.00 H new ATOM 0 HB3 LYS A 178 -14.774 -7.020 -0.876 1.00 0.00 H new ATOM 0 HG2 LYS A 178 -16.538 -7.918 0.449 1.00 0.00 H new ATOM 0 HG3 LYS A 178 -15.916 -6.541 1.337 1.00 0.00 H new ATOM 0 HD2 LYS A 178 -18.277 -6.344 1.469 1.00 0.00 H new ATOM 0 HD3 LYS A 178 -17.789 -5.153 0.279 1.00 0.00 H new ATOM 0 HE2 LYS A 178 -18.369 -6.705 -1.553 1.00 0.00 H new ATOM 0 HE3 LYS A 178 -18.786 -7.950 -0.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 178 -20.821 -7.050 -0.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 178 -20.384 -6.110 0.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 178 -20.225 -5.476 -1.056 1.00 0.00 H new ATOM 1189 N TYR A 179 -12.858 -4.786 -0.407 1.00 0.00 N ATOM 1190 CA TYR A 179 -11.467 -4.569 -0.765 1.00 0.00 C ATOM 1191 C TYR A 179 -10.633 -5.803 -0.442 1.00 0.00 C ATOM 1192 O TYR A 179 -10.858 -6.460 0.576 1.00 0.00 O ATOM 1193 CB TYR A 179 -10.918 -3.360 -0.005 1.00 0.00 C ATOM 1194 CG TYR A 179 -11.751 -2.109 -0.178 1.00 0.00 C ATOM 1195 CD1 TYR A 179 -11.629 -1.323 -1.315 1.00 0.00 C ATOM 1196 CD2 TYR A 179 -12.659 -1.717 0.798 1.00 0.00 C ATOM 1197 CE1 TYR A 179 -12.389 -0.181 -1.475 1.00 0.00 C ATOM 1198 CE2 TYR A 179 -13.421 -0.576 0.645 1.00 0.00 C ATOM 1199 CZ TYR A 179 -13.283 0.188 -0.493 1.00 0.00 C ATOM 1200 OH TYR A 179 -14.039 1.327 -0.651 1.00 0.00 O ATOM 0 H TYR A 179 -13.013 -4.942 0.589 1.00 0.00 H new ATOM 0 HA TYR A 179 -11.409 -4.380 -1.837 1.00 0.00 H new ATOM 0 HB2 TYR A 179 -10.859 -3.604 1.056 1.00 0.00 H new ATOM 0 HB3 TYR A 179 -9.901 -3.160 -0.343 1.00 0.00 H new ATOM 0 HD1 TYR A 179 -10.929 -1.609 -2.086 1.00 0.00 H new ATOM 0 HD2 TYR A 179 -12.770 -2.315 1.691 1.00 0.00 H new ATOM 0 HE1 TYR A 179 -12.283 0.420 -2.366 1.00 0.00 H new ATOM 0 HE2 TYR A 179 -14.122 -0.284 1.413 1.00 0.00 H new ATOM 0 HH TYR A 179 -14.895 1.219 -0.186 1.00 0.00 H new ATOM 1210 N ASP A 180 -9.684 -6.116 -1.318 1.00 0.00 N ATOM 1211 CA ASP A 180 -8.809 -7.271 -1.128 1.00 0.00 C ATOM 1212 C ASP A 180 -7.523 -7.112 -1.943 1.00 0.00 C ATOM 1213 O ASP A 180 -7.568 -6.692 -3.097 1.00 0.00 O ATOM 1214 CB ASP A 180 -9.558 -8.545 -1.539 1.00 0.00 C ATOM 1215 CG ASP A 180 -8.652 -9.747 -1.685 1.00 0.00 C ATOM 1216 OD1 ASP A 180 -8.805 -10.492 -2.677 1.00 0.00 O ATOM 1217 OD2 ASP A 180 -7.773 -9.939 -0.829 1.00 0.00 O1- ATOM 0 H ASP A 180 -9.500 -5.585 -2.169 1.00 0.00 H new ATOM 0 HA ASP A 180 -8.530 -7.343 -0.077 1.00 0.00 H new ATOM 0 HB2 ASP A 180 -10.325 -8.764 -0.796 1.00 0.00 H new ATOM 0 HB3 ASP A 180 -10.072 -8.368 -2.484 1.00 0.00 H new ATOM 1222 N VAL A 181 -6.373 -7.429 -1.346 1.00 0.00 N ATOM 1223 CA VAL A 181 -5.098 -7.325 -2.060 1.00 0.00 C ATOM 1224 C VAL A 181 -4.804 -8.617 -2.814 1.00 0.00 C ATOM 1225 O VAL A 181 -3.902 -8.673 -3.651 1.00 0.00 O ATOM 1226 CB VAL A 181 -3.894 -7.022 -1.128 1.00 0.00 C ATOM 1227 CG1 VAL A 181 -4.115 -5.782 -0.289 1.00 0.00 C ATOM 1228 CG2 VAL A 181 -3.563 -8.191 -0.232 1.00 0.00 C ATOM 0 H VAL A 181 -6.297 -7.756 -0.383 1.00 0.00 H new ATOM 0 HA VAL A 181 -5.212 -6.487 -2.747 1.00 0.00 H new ATOM 0 HB VAL A 181 -3.046 -6.841 -1.789 1.00 0.00 H new ATOM 0 HG11 VAL A 181 -3.245 -5.612 0.346 1.00 0.00 H new ATOM 0 HG12 VAL A 181 -4.261 -4.922 -0.942 1.00 0.00 H new ATOM 0 HG13 VAL A 181 -4.999 -5.917 0.335 1.00 0.00 H new ATOM 0 HG21 VAL A 181 -2.715 -7.934 0.403 1.00 0.00 H new ATOM 0 HG22 VAL A 181 -4.425 -8.426 0.392 1.00 0.00 H new ATOM 0 HG23 VAL A 181 -3.310 -9.057 -0.843 1.00 0.00 H new ATOM 1238 N GLY A 182 -5.586 -9.642 -2.523 1.00 0.00 N ATOM 1239 CA GLY A 182 -5.338 -10.955 -3.074 1.00 0.00 C ATOM 1240 C GLY A 182 -5.179 -11.979 -1.975 1.00 0.00 C ATOM 1241 O GLY A 182 -4.397 -12.922 -2.095 1.00 0.00 O ATOM 0 H GLY A 182 -6.398 -9.586 -1.908 1.00 0.00 H new ATOM 0 HA2 GLY A 182 -6.162 -11.241 -3.727 1.00 0.00 H new ATOM 0 HA3 GLY A 182 -4.438 -10.932 -3.688 1.00 0.00 H new ATOM 1245 N GLY A 183 -5.930 -11.785 -0.902 1.00 0.00 N ATOM 1246 CA GLY A 183 -5.832 -12.645 0.253 1.00 0.00 C ATOM 1247 C GLY A 183 -6.973 -13.634 0.335 1.00 0.00 C ATOM 1248 O GLY A 183 -7.612 -13.947 -0.673 1.00 0.00 O ATOM 0 H GLY A 183 -6.615 -11.035 -0.813 1.00 0.00 H new ATOM 0 HA2 GLY A 183 -4.887 -13.187 0.220 1.00 0.00 H new ATOM 0 HA3 GLY A 183 -5.818 -12.035 1.156 1.00 0.00 H new ATOM 1252 N GLY A 184 -7.229 -14.130 1.533 1.00 0.00 N ATOM 1253 CA GLY A 184 -8.257 -15.131 1.716 1.00 0.00 C ATOM 1254 C GLY A 184 -9.635 -14.535 1.921 1.00 0.00 C ATOM 1255 O GLY A 184 -10.625 -15.039 1.385 1.00 0.00 O ATOM 0 H GLY A 184 -6.741 -13.856 2.386 1.00 0.00 H new ATOM 0 HA2 GLY A 184 -8.277 -15.787 0.845 1.00 0.00 H new ATOM 0 HA3 GLY A 184 -8.004 -15.751 2.576 1.00 0.00 H new ATOM 1259 N GLU A 185 -9.712 -13.463 2.695 1.00 0.00 N ATOM 1260 CA GLU A 185 -10.991 -12.848 3.010 1.00 0.00 C ATOM 1261 C GLU A 185 -11.080 -11.436 2.444 1.00 0.00 C ATOM 1262 O GLU A 185 -10.095 -10.701 2.423 1.00 0.00 O ATOM 1263 CB GLU A 185 -11.196 -12.820 4.524 1.00 0.00 C ATOM 1264 CG GLU A 185 -12.584 -12.368 4.937 1.00 0.00 C ATOM 1265 CD GLU A 185 -12.792 -12.411 6.433 1.00 0.00 C ATOM 1266 OE1 GLU A 185 -12.395 -11.448 7.118 1.00 0.00 O ATOM 1267 OE2 GLU A 185 -13.358 -13.409 6.933 1.00 0.00 O1- ATOM 0 H GLU A 185 -8.905 -13.002 3.116 1.00 0.00 H new ATOM 0 HA GLU A 185 -11.778 -13.445 2.549 1.00 0.00 H new ATOM 0 HB2 GLU A 185 -11.012 -13.816 4.926 1.00 0.00 H new ATOM 0 HB3 GLU A 185 -10.457 -12.154 4.971 1.00 0.00 H new ATOM 0 HG2 GLU A 185 -12.751 -11.352 4.580 1.00 0.00 H new ATOM 0 HG3 GLU A 185 -13.327 -13.002 4.453 1.00 0.00 H new ATOM 1274 N ARG A 186 -12.268 -11.071 1.981 1.00 0.00 N ATOM 1275 CA ARG A 186 -12.522 -9.730 1.480 1.00 0.00 C ATOM 1276 C ARG A 186 -13.069 -8.865 2.606 1.00 0.00 C ATOM 1277 O ARG A 186 -13.857 -9.334 3.430 1.00 0.00 O ATOM 1278 CB ARG A 186 -13.525 -9.775 0.327 1.00 0.00 C ATOM 1279 CG ARG A 186 -13.140 -10.744 -0.774 1.00 0.00 C ATOM 1280 CD ARG A 186 -14.226 -10.846 -1.832 1.00 0.00 C ATOM 1281 NE ARG A 186 -13.922 -11.874 -2.825 1.00 0.00 N ATOM 1282 CZ ARG A 186 -14.799 -12.343 -3.709 1.00 0.00 C ATOM 1283 NH1 ARG A 186 -16.035 -11.858 -3.747 1.00 0.00 N1+ ATOM 1284 NH2 ARG A 186 -14.433 -13.292 -4.561 1.00 0.00 N ATOM 0 H ARG A 186 -13.076 -11.692 1.943 1.00 0.00 H new ATOM 0 HA ARG A 186 -11.588 -9.304 1.113 1.00 0.00 H new ATOM 0 HB2 ARG A 186 -14.504 -10.053 0.718 1.00 0.00 H new ATOM 0 HB3 ARG A 186 -13.623 -8.776 -0.098 1.00 0.00 H new ATOM 0 HG2 ARG A 186 -12.209 -10.418 -1.237 1.00 0.00 H new ATOM 0 HG3 ARG A 186 -12.955 -11.729 -0.345 1.00 0.00 H new ATOM 0 HD2 ARG A 186 -15.179 -11.073 -1.354 1.00 0.00 H new ATOM 0 HD3 ARG A 186 -14.340 -9.883 -2.329 1.00 0.00 H new ATOM 0 HE ARG A 186 -12.977 -12.257 -2.842 1.00 0.00 H new ATOM 0 HH11 ARG A 186 -16.315 -11.123 -3.097 1.00 0.00 H new ATOM 0 HH12 ARG A 186 -16.704 -12.220 -4.426 1.00 0.00 H new ATOM 0 HH21 ARG A 186 -13.482 -13.660 -4.537 1.00 0.00 H new ATOM 0 HH22 ARG A 186 -15.103 -13.654 -5.240 1.00 0.00 H new ATOM 1298 N PHE A 187 -12.654 -7.615 2.648 1.00 0.00 N ATOM 1299 CA PHE A 187 -13.080 -6.713 3.707 1.00 0.00 C ATOM 1300 C PHE A 187 -14.003 -5.635 3.156 1.00 0.00 C ATOM 1301 O PHE A 187 -13.750 -5.079 2.091 1.00 0.00 O ATOM 1302 CB PHE A 187 -11.859 -6.081 4.380 1.00 0.00 C ATOM 1303 CG PHE A 187 -10.943 -7.087 5.018 1.00 0.00 C ATOM 1304 CD1 PHE A 187 -11.120 -7.464 6.338 1.00 0.00 C ATOM 1305 CD2 PHE A 187 -9.912 -7.664 4.293 1.00 0.00 C ATOM 1306 CE1 PHE A 187 -10.284 -8.394 6.923 1.00 0.00 C ATOM 1307 CE2 PHE A 187 -9.074 -8.593 4.874 1.00 0.00 C ATOM 1308 CZ PHE A 187 -9.261 -8.960 6.190 1.00 0.00 C ATOM 0 H PHE A 187 -12.023 -7.198 1.964 1.00 0.00 H new ATOM 0 HA PHE A 187 -13.634 -7.286 4.451 1.00 0.00 H new ATOM 0 HB2 PHE A 187 -11.300 -5.510 3.639 1.00 0.00 H new ATOM 0 HB3 PHE A 187 -12.196 -5.375 5.139 1.00 0.00 H new ATOM 0 HD1 PHE A 187 -11.920 -7.026 6.916 1.00 0.00 H new ATOM 0 HD2 PHE A 187 -9.763 -7.383 3.261 1.00 0.00 H new ATOM 0 HE1 PHE A 187 -10.431 -8.679 7.954 1.00 0.00 H new ATOM 0 HE2 PHE A 187 -8.272 -9.032 4.299 1.00 0.00 H new ATOM 0 HZ PHE A 187 -8.608 -9.689 6.646 1.00 0.00 H new ATOM 1318 N ASP A 188 -15.072 -5.342 3.889 1.00 0.00 N ATOM 1319 CA ASP A 188 -16.046 -4.337 3.465 1.00 0.00 C ATOM 1320 C ASP A 188 -15.566 -2.942 3.841 1.00 0.00 C ATOM 1321 O ASP A 188 -16.247 -1.947 3.600 1.00 0.00 O ATOM 1322 CB ASP A 188 -17.423 -4.599 4.090 1.00 0.00 C ATOM 1323 CG ASP A 188 -17.426 -4.451 5.600 1.00 0.00 C ATOM 1324 OD1 ASP A 188 -16.968 -5.385 6.292 1.00 0.00 O ATOM 1325 OD2 ASP A 188 -17.897 -3.408 6.109 1.00 0.00 O1- ATOM 0 H ASP A 188 -15.288 -5.786 4.782 1.00 0.00 H new ATOM 0 HA ASP A 188 -16.143 -4.404 2.381 1.00 0.00 H new ATOM 0 HB2 ASP A 188 -18.148 -3.907 3.661 1.00 0.00 H new ATOM 0 HB3 ASP A 188 -17.749 -5.606 3.828 1.00 0.00 H new ATOM 1330 N SER A 189 -14.395 -2.878 4.442 1.00 0.00 N ATOM 1331 CA SER A 189 -13.787 -1.615 4.800 1.00 0.00 C ATOM 1332 C SER A 189 -12.285 -1.677 4.562 1.00 0.00 C ATOM 1333 O SER A 189 -11.651 -2.707 4.797 1.00 0.00 O ATOM 1334 CB SER A 189 -14.096 -1.305 6.262 1.00 0.00 C ATOM 1335 OG SER A 189 -14.101 -2.491 7.041 1.00 0.00 O ATOM 0 H SER A 189 -13.841 -3.697 4.694 1.00 0.00 H new ATOM 0 HA SER A 189 -14.195 -0.818 4.179 1.00 0.00 H new ATOM 0 HB2 SER A 189 -13.354 -0.610 6.655 1.00 0.00 H new ATOM 0 HB3 SER A 189 -15.065 -0.812 6.336 1.00 0.00 H new ATOM 0 HG SER A 189 -13.746 -2.298 7.934 1.00 0.00 H new ATOM 1341 N LEU A 190 -11.716 -0.570 4.098 1.00 0.00 N ATOM 1342 CA LEU A 190 -10.301 -0.534 3.770 1.00 0.00 C ATOM 1343 C LEU A 190 -9.451 -0.445 5.027 1.00 0.00 C ATOM 1344 O LEU A 190 -8.280 -0.814 5.012 1.00 0.00 O ATOM 1345 CB LEU A 190 -9.977 0.626 2.821 1.00 0.00 C ATOM 1346 CG LEU A 190 -9.498 0.203 1.425 1.00 0.00 C ATOM 1347 CD1 LEU A 190 -9.145 1.409 0.584 1.00 0.00 C ATOM 1348 CD2 LEU A 190 -8.298 -0.716 1.516 1.00 0.00 C ATOM 0 H LEU A 190 -12.212 0.308 3.942 1.00 0.00 H new ATOM 0 HA LEU A 190 -10.061 -1.466 3.258 1.00 0.00 H new ATOM 0 HB2 LEU A 190 -10.867 1.246 2.712 1.00 0.00 H new ATOM 0 HB3 LEU A 190 -9.209 1.248 3.280 1.00 0.00 H new ATOM 0 HG LEU A 190 -10.319 -0.333 0.950 1.00 0.00 H new ATOM 0 HD11 LEU A 190 -8.809 1.081 -0.400 1.00 0.00 H new ATOM 0 HD12 LEU A 190 -10.023 2.045 0.474 1.00 0.00 H new ATOM 0 HD13 LEU A 190 -8.348 1.971 1.071 1.00 0.00 H new ATOM 0 HD21 LEU A 190 -7.980 -1.000 0.513 1.00 0.00 H new ATOM 0 HD22 LEU A 190 -7.482 -0.200 2.023 1.00 0.00 H new ATOM 0 HD23 LEU A 190 -8.567 -1.610 2.078 1.00 0.00 H new ATOM 1360 N THR A 191 -10.035 0.051 6.113 1.00 0.00 N ATOM 1361 CA THR A 191 -9.343 0.064 7.393 1.00 0.00 C ATOM 1362 C THR A 191 -9.034 -1.362 7.831 1.00 0.00 C ATOM 1363 O THR A 191 -7.900 -1.689 8.163 1.00 0.00 O ATOM 1364 CB THR A 191 -10.169 0.774 8.486 1.00 0.00 C ATOM 1365 OG1 THR A 191 -10.404 2.137 8.113 1.00 0.00 O ATOM 1366 CG2 THR A 191 -9.449 0.732 9.826 1.00 0.00 C ATOM 0 H THR A 191 -10.976 0.445 6.132 1.00 0.00 H new ATOM 0 HA THR A 191 -8.415 0.621 7.260 1.00 0.00 H new ATOM 0 HB THR A 191 -11.120 0.251 8.585 1.00 0.00 H new ATOM 0 HG1 THR A 191 -10.930 2.581 8.811 1.00 0.00 H new ATOM 0 HG21 THR A 191 -10.052 1.239 10.579 1.00 0.00 H new ATOM 0 HG22 THR A 191 -9.294 -0.305 10.123 1.00 0.00 H new ATOM 0 HG23 THR A 191 -8.485 1.232 9.737 1.00 0.00 H new ATOM 1374 N ASP A 192 -10.044 -2.214 7.781 1.00 0.00 N ATOM 1375 CA ASP A 192 -9.887 -3.612 8.156 1.00 0.00 C ATOM 1376 C ASP A 192 -8.934 -4.316 7.201 1.00 0.00 C ATOM 1377 O ASP A 192 -8.239 -5.258 7.585 1.00 0.00 O ATOM 1378 CB ASP A 192 -11.247 -4.307 8.171 1.00 0.00 C ATOM 1379 CG ASP A 192 -12.151 -3.771 9.263 1.00 0.00 C ATOM 1380 OD1 ASP A 192 -12.580 -2.597 9.168 1.00 0.00 O ATOM 1381 OD2 ASP A 192 -12.431 -4.517 10.223 1.00 0.00 O1- ATOM 0 H ASP A 192 -10.986 -1.962 7.483 1.00 0.00 H new ATOM 0 HA ASP A 192 -9.461 -3.661 9.158 1.00 0.00 H new ATOM 0 HB2 ASP A 192 -11.731 -4.175 7.203 1.00 0.00 H new ATOM 0 HB3 ASP A 192 -11.104 -5.378 8.313 1.00 0.00 H new ATOM 1386 N LEU A 193 -8.907 -3.846 5.958 1.00 0.00 N ATOM 1387 CA LEU A 193 -7.989 -4.363 4.952 1.00 0.00 C ATOM 1388 C LEU A 193 -6.546 -4.067 5.360 1.00 0.00 C ATOM 1389 O LEU A 193 -5.725 -4.978 5.481 1.00 0.00 O ATOM 1390 CB LEU A 193 -8.310 -3.712 3.589 1.00 0.00 C ATOM 1391 CG LEU A 193 -7.586 -4.262 2.342 1.00 0.00 C ATOM 1392 CD1 LEU A 193 -6.102 -3.895 2.324 1.00 0.00 C ATOM 1393 CD2 LEU A 193 -7.770 -5.766 2.237 1.00 0.00 C ATOM 0 H LEU A 193 -9.517 -3.101 5.622 1.00 0.00 H new ATOM 0 HA LEU A 193 -8.107 -5.443 4.869 1.00 0.00 H new ATOM 0 HB2 LEU A 193 -9.383 -3.800 3.420 1.00 0.00 H new ATOM 0 HB3 LEU A 193 -8.086 -2.648 3.665 1.00 0.00 H new ATOM 0 HG LEU A 193 -8.042 -3.790 1.471 1.00 0.00 H new ATOM 0 HD11 LEU A 193 -5.637 -4.305 1.427 1.00 0.00 H new ATOM 0 HD12 LEU A 193 -5.995 -2.810 2.325 1.00 0.00 H new ATOM 0 HD13 LEU A 193 -5.614 -4.308 3.207 1.00 0.00 H new ATOM 0 HD21 LEU A 193 -7.252 -6.135 1.352 1.00 0.00 H new ATOM 0 HD22 LEU A 193 -7.358 -6.246 3.125 1.00 0.00 H new ATOM 0 HD23 LEU A 193 -8.832 -5.998 2.159 1.00 0.00 H new ATOM 1405 N VAL A 194 -6.254 -2.795 5.613 1.00 0.00 N ATOM 1406 CA VAL A 194 -4.888 -2.375 5.891 1.00 0.00 C ATOM 1407 C VAL A 194 -4.416 -2.884 7.250 1.00 0.00 C ATOM 1408 O VAL A 194 -3.292 -3.360 7.386 1.00 0.00 O ATOM 1409 CB VAL A 194 -4.722 -0.838 5.812 1.00 0.00 C ATOM 1410 CG1 VAL A 194 -5.095 -0.330 4.423 1.00 0.00 C ATOM 1411 CG2 VAL A 194 -5.540 -0.124 6.878 1.00 0.00 C ATOM 0 H VAL A 194 -6.942 -2.042 5.631 1.00 0.00 H new ATOM 0 HA VAL A 194 -4.264 -2.819 5.115 1.00 0.00 H new ATOM 0 HB VAL A 194 -3.672 -0.613 6.000 1.00 0.00 H new ATOM 0 HG11 VAL A 194 -4.972 0.752 4.386 1.00 0.00 H new ATOM 0 HG12 VAL A 194 -4.447 -0.794 3.680 1.00 0.00 H new ATOM 0 HG13 VAL A 194 -6.133 -0.585 4.209 1.00 0.00 H new ATOM 0 HG21 VAL A 194 -5.395 0.953 6.787 1.00 0.00 H new ATOM 0 HG22 VAL A 194 -6.596 -0.360 6.746 1.00 0.00 H new ATOM 0 HG23 VAL A 194 -5.216 -0.452 7.866 1.00 0.00 H new ATOM 1421 N GLU A 195 -5.293 -2.802 8.240 1.00 0.00 N ATOM 1422 CA GLU A 195 -4.997 -3.272 9.590 1.00 0.00 C ATOM 1423 C GLU A 195 -4.689 -4.769 9.604 1.00 0.00 C ATOM 1424 O GLU A 195 -3.889 -5.240 10.414 1.00 0.00 O ATOM 1425 CB GLU A 195 -6.169 -2.971 10.515 1.00 0.00 C ATOM 1426 CG GLU A 195 -6.390 -1.487 10.741 1.00 0.00 C ATOM 1427 CD GLU A 195 -5.281 -0.834 11.531 1.00 0.00 C ATOM 1428 OE1 GLU A 195 -5.424 -0.706 12.766 1.00 0.00 O ATOM 1429 OE2 GLU A 195 -4.264 -0.440 10.933 1.00 0.00 O1- ATOM 0 H GLU A 195 -6.228 -2.409 8.133 1.00 0.00 H new ATOM 0 HA GLU A 195 -4.112 -2.744 9.944 1.00 0.00 H new ATOM 0 HB2 GLU A 195 -7.076 -3.406 10.095 1.00 0.00 H new ATOM 0 HB3 GLU A 195 -5.998 -3.456 11.476 1.00 0.00 H new ATOM 0 HG2 GLU A 195 -6.482 -0.989 9.776 1.00 0.00 H new ATOM 0 HG3 GLU A 195 -7.335 -1.343 11.265 1.00 0.00 H new ATOM 1436 N HIS A 196 -5.319 -5.508 8.697 1.00 0.00 N ATOM 1437 CA HIS A 196 -5.114 -6.948 8.604 1.00 0.00 C ATOM 1438 C HIS A 196 -3.698 -7.267 8.145 1.00 0.00 C ATOM 1439 O HIS A 196 -3.013 -8.100 8.742 1.00 0.00 O ATOM 1440 CB HIS A 196 -6.127 -7.574 7.639 1.00 0.00 C ATOM 1441 CG HIS A 196 -6.001 -9.062 7.512 1.00 0.00 C ATOM 1442 ND1 HIS A 196 -5.763 -9.700 6.313 1.00 0.00 N ATOM 1443 CD2 HIS A 196 -6.091 -10.040 8.443 1.00 0.00 C ATOM 1444 CE1 HIS A 196 -5.713 -11.005 6.515 1.00 0.00 C ATOM 1445 NE2 HIS A 196 -5.907 -11.234 7.797 1.00 0.00 N ATOM 0 H HIS A 196 -5.977 -5.132 8.015 1.00 0.00 H new ATOM 0 HA HIS A 196 -5.261 -7.372 9.597 1.00 0.00 H new ATOM 0 HB2 HIS A 196 -7.135 -7.331 7.977 1.00 0.00 H new ATOM 0 HB3 HIS A 196 -6.004 -7.123 6.654 1.00 0.00 H new ATOM 0 HD2 HIS A 196 -6.274 -9.904 9.499 1.00 0.00 H new ATOM 0 HE1 HIS A 196 -5.542 -11.756 5.758 1.00 0.00 H new ATOM 0 HE2 HIS A 196 -5.918 -12.153 8.239 1.00 0.00 H new ATOM 1454 N TYR A 197 -3.256 -6.594 7.092 1.00 0.00 N ATOM 1455 CA TYR A 197 -1.938 -6.850 6.531 1.00 0.00 C ATOM 1456 C TYR A 197 -0.871 -6.094 7.304 1.00 0.00 C ATOM 1457 O TYR A 197 0.325 -6.329 7.137 1.00 0.00 O ATOM 1458 CB TYR A 197 -1.907 -6.496 5.049 1.00 0.00 C ATOM 1459 CG TYR A 197 -2.826 -7.365 4.234 1.00 0.00 C ATOM 1460 CD1 TYR A 197 -4.000 -6.856 3.708 1.00 0.00 C ATOM 1461 CD2 TYR A 197 -2.528 -8.702 4.011 1.00 0.00 C ATOM 1462 CE1 TYR A 197 -4.855 -7.653 2.981 1.00 0.00 C ATOM 1463 CE2 TYR A 197 -3.377 -9.506 3.280 1.00 0.00 C ATOM 1464 CZ TYR A 197 -4.541 -8.978 2.769 1.00 0.00 C ATOM 1465 OH TYR A 197 -5.394 -9.776 2.045 1.00 0.00 O ATOM 0 H TYR A 197 -3.789 -5.869 6.611 1.00 0.00 H new ATOM 0 HA TYR A 197 -1.723 -7.915 6.623 1.00 0.00 H new ATOM 0 HB2 TYR A 197 -2.191 -5.451 4.921 1.00 0.00 H new ATOM 0 HB3 TYR A 197 -0.888 -6.598 4.675 1.00 0.00 H new ATOM 0 HD1 TYR A 197 -4.249 -5.818 3.870 1.00 0.00 H new ATOM 0 HD2 TYR A 197 -1.618 -9.119 4.416 1.00 0.00 H new ATOM 0 HE1 TYR A 197 -5.769 -7.241 2.578 1.00 0.00 H new ATOM 0 HE2 TYR A 197 -3.130 -10.544 3.109 1.00 0.00 H new ATOM 0 HH TYR A 197 -6.169 -9.250 1.758 1.00 0.00 H new ATOM 1475 N LYS A 198 -1.320 -5.189 8.160 1.00 0.00 N ATOM 1476 CA LYS A 198 -0.436 -4.499 9.081 1.00 0.00 C ATOM 1477 C LYS A 198 0.073 -5.486 10.125 1.00 0.00 C ATOM 1478 O LYS A 198 1.179 -5.353 10.649 1.00 0.00 O ATOM 1479 CB LYS A 198 -1.186 -3.348 9.753 1.00 0.00 C ATOM 1480 CG LYS A 198 -0.286 -2.361 10.474 1.00 0.00 C ATOM 1481 CD LYS A 198 -1.095 -1.278 11.164 1.00 0.00 C ATOM 1482 CE LYS A 198 -1.874 -1.831 12.344 1.00 0.00 C ATOM 1483 NZ LYS A 198 -2.595 -0.762 13.079 1.00 0.00 N1+ ATOM 0 H LYS A 198 -2.300 -4.915 8.234 1.00 0.00 H new ATOM 0 HA LYS A 198 0.414 -4.088 8.537 1.00 0.00 H new ATOM 0 HB2 LYS A 198 -1.762 -2.814 8.998 1.00 0.00 H new ATOM 0 HB3 LYS A 198 -1.900 -3.760 10.466 1.00 0.00 H new ATOM 0 HG2 LYS A 198 0.320 -2.889 11.210 1.00 0.00 H new ATOM 0 HG3 LYS A 198 0.402 -1.906 9.762 1.00 0.00 H new ATOM 0 HD2 LYS A 198 -0.428 -0.487 11.506 1.00 0.00 H new ATOM 0 HD3 LYS A 198 -1.785 -0.827 10.450 1.00 0.00 H new ATOM 0 HE2 LYS A 198 -2.588 -2.575 11.991 1.00 0.00 H new ATOM 0 HE3 LYS A 198 -1.191 -2.342 13.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 198 -3.207 -1.190 13.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 198 -1.907 -0.131 13.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 198 -3.177 -0.214 12.413 1.00 0.00 H new ATOM 1497 N LYS A 199 -0.750 -6.486 10.414 1.00 0.00 N ATOM 1498 CA LYS A 199 -0.370 -7.545 11.336 1.00 0.00 C ATOM 1499 C LYS A 199 0.230 -8.721 10.575 1.00 0.00 C ATOM 1500 O LYS A 199 1.197 -9.334 11.022 1.00 0.00 O ATOM 1501 CB LYS A 199 -1.589 -8.017 12.130 1.00 0.00 C ATOM 1502 CG LYS A 199 -2.213 -6.938 12.996 1.00 0.00 C ATOM 1503 CD LYS A 199 -1.270 -6.500 14.102 1.00 0.00 C ATOM 1504 CE LYS A 199 -1.905 -5.447 14.996 1.00 0.00 C ATOM 1505 NZ LYS A 199 -1.022 -5.083 16.135 1.00 0.00 N1+ ATOM 0 H LYS A 199 -1.686 -6.585 10.022 1.00 0.00 H new ATOM 0 HA LYS A 199 0.376 -7.149 12.025 1.00 0.00 H new ATOM 0 HB2 LYS A 199 -2.341 -8.391 11.435 1.00 0.00 H new ATOM 0 HB3 LYS A 199 -1.296 -8.854 12.764 1.00 0.00 H new ATOM 0 HG2 LYS A 199 -2.474 -6.079 12.378 1.00 0.00 H new ATOM 0 HG3 LYS A 199 -3.140 -7.311 13.432 1.00 0.00 H new ATOM 0 HD2 LYS A 199 -0.986 -7.364 14.702 1.00 0.00 H new ATOM 0 HD3 LYS A 199 -0.355 -6.102 13.664 1.00 0.00 H new ATOM 0 HE2 LYS A 199 -2.125 -4.556 14.408 1.00 0.00 H new ATOM 0 HE3 LYS A 199 -2.855 -5.820 15.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 199 -1.490 -4.363 16.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 199 -0.832 -5.928 16.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 199 -0.125 -4.703 15.771 1.00 0.00 H new ATOM 1519 N ASN A 200 -0.328 -9.006 9.406 1.00 0.00 N ATOM 1520 CA ASN A 200 0.119 -10.137 8.602 1.00 0.00 C ATOM 1521 C ASN A 200 0.631 -9.656 7.249 1.00 0.00 C ATOM 1522 O ASN A 200 -0.157 -9.393 6.343 1.00 0.00 O ATOM 1523 CB ASN A 200 -1.024 -11.141 8.394 1.00 0.00 C ATOM 1524 CG ASN A 200 -1.567 -11.698 9.697 1.00 0.00 C ATOM 1525 OD1 ASN A 200 -1.086 -12.711 10.208 1.00 0.00 O ATOM 1526 ND2 ASN A 200 -2.583 -11.040 10.240 1.00 0.00 N ATOM 0 H ASN A 200 -1.091 -8.470 8.993 1.00 0.00 H new ATOM 0 HA ASN A 200 0.929 -10.633 9.136 1.00 0.00 H new ATOM 0 HB2 ASN A 200 -1.832 -10.655 7.848 1.00 0.00 H new ATOM 0 HB3 ASN A 200 -0.669 -11.964 7.773 1.00 0.00 H new ATOM 0 HD21 ASN A 200 -2.995 -11.369 11.113 1.00 0.00 H new ATOM 0 HD22 ASN A 200 -2.952 -10.205 9.784 1.00 0.00 H new ATOM 1533 N PRO A 201 1.960 -9.511 7.112 1.00 0.00 N ATOM 1534 CA PRO A 201 2.592 -9.077 5.859 1.00 0.00 C ATOM 1535 C PRO A 201 2.225 -9.975 4.679 1.00 0.00 C ATOM 1536 O PRO A 201 2.179 -11.203 4.805 1.00 0.00 O ATOM 1537 CB PRO A 201 4.093 -9.184 6.156 1.00 0.00 C ATOM 1538 CG PRO A 201 4.198 -9.106 7.638 1.00 0.00 C ATOM 1539 CD PRO A 201 2.952 -9.753 8.172 1.00 0.00 C ATOM 0 HA PRO A 201 2.269 -8.077 5.571 1.00 0.00 H new ATOM 0 HB2 PRO A 201 4.504 -10.121 5.780 1.00 0.00 H new ATOM 0 HB3 PRO A 201 4.649 -8.377 5.678 1.00 0.00 H new ATOM 0 HG2 PRO A 201 5.090 -9.622 7.994 1.00 0.00 H new ATOM 0 HG3 PRO A 201 4.274 -8.071 7.971 1.00 0.00 H new ATOM 0 HD2 PRO A 201 3.097 -10.818 8.350 1.00 0.00 H new ATOM 0 HD3 PRO A 201 2.644 -9.310 9.119 1.00 0.00 H new ATOM 1547 N MET A 202 1.962 -9.357 3.539 1.00 0.00 N ATOM 1548 CA MET A 202 1.624 -10.090 2.329 1.00 0.00 C ATOM 1549 C MET A 202 2.855 -10.185 1.419 1.00 0.00 C ATOM 1550 O MET A 202 3.573 -9.202 1.232 1.00 0.00 O ATOM 1551 CB MET A 202 0.450 -9.410 1.611 1.00 0.00 C ATOM 1552 CG MET A 202 0.768 -8.032 1.066 1.00 0.00 C ATOM 1553 SD MET A 202 0.600 -6.733 2.288 1.00 0.00 S ATOM 1554 CE MET A 202 -0.842 -5.902 1.637 1.00 0.00 C ATOM 0 H MET A 202 1.976 -8.343 3.426 1.00 0.00 H new ATOM 0 HA MET A 202 1.315 -11.102 2.591 1.00 0.00 H new ATOM 0 HB2 MET A 202 0.124 -10.047 0.789 1.00 0.00 H new ATOM 0 HB3 MET A 202 -0.388 -9.330 2.304 1.00 0.00 H new ATOM 0 HG2 MET A 202 1.787 -8.028 0.679 1.00 0.00 H new ATOM 0 HG3 MET A 202 0.107 -7.819 0.226 1.00 0.00 H new ATOM 0 HE1 MET A 202 -1.032 -4.997 2.214 1.00 0.00 H new ATOM 0 HE2 MET A 202 -0.670 -5.638 0.594 1.00 0.00 H new ATOM 0 HE3 MET A 202 -1.705 -6.564 1.706 1.00 0.00 H new ATOM 1564 N VAL A 203 3.105 -11.367 0.863 1.00 0.00 N ATOM 1565 CA VAL A 203 4.349 -11.628 0.135 1.00 0.00 C ATOM 1566 C VAL A 203 4.140 -11.617 -1.387 1.00 0.00 C ATOM 1567 O VAL A 203 3.121 -12.083 -1.880 1.00 0.00 O ATOM 1568 CB VAL A 203 4.948 -12.999 0.539 1.00 0.00 C ATOM 1569 CG1 VAL A 203 6.297 -13.209 -0.120 1.00 0.00 C ATOM 1570 CG2 VAL A 203 5.081 -13.136 2.051 1.00 0.00 C ATOM 0 H VAL A 203 2.465 -12.160 0.901 1.00 0.00 H new ATOM 0 HA VAL A 203 5.036 -10.825 0.402 1.00 0.00 H new ATOM 0 HB VAL A 203 4.257 -13.767 0.192 1.00 0.00 H new ATOM 0 HG11 VAL A 203 6.700 -14.177 0.177 1.00 0.00 H new ATOM 0 HG12 VAL A 203 6.181 -13.181 -1.203 1.00 0.00 H new ATOM 0 HG13 VAL A 203 6.981 -12.420 0.192 1.00 0.00 H new ATOM 0 HG21 VAL A 203 5.505 -14.111 2.292 1.00 0.00 H new ATOM 0 HG22 VAL A 203 5.736 -12.352 2.431 1.00 0.00 H new ATOM 0 HG23 VAL A 203 4.098 -13.043 2.513 1.00 0.00 H new ATOM 1580 N GLU A 204 5.104 -11.062 -2.121 1.00 0.00 N ATOM 1581 CA GLU A 204 5.135 -11.178 -3.578 1.00 0.00 C ATOM 1582 C GLU A 204 5.851 -12.455 -3.981 1.00 0.00 C ATOM 1583 O GLU A 204 6.611 -13.022 -3.201 1.00 0.00 O ATOM 1584 CB GLU A 204 5.876 -10.003 -4.225 1.00 0.00 C ATOM 1585 CG GLU A 204 5.203 -8.660 -4.051 1.00 0.00 C ATOM 1586 CD GLU A 204 5.821 -7.593 -4.934 1.00 0.00 C ATOM 1587 OE1 GLU A 204 6.501 -6.691 -4.407 1.00 0.00 O ATOM 1588 OE2 GLU A 204 5.625 -7.661 -6.166 1.00 0.00 O1- ATOM 0 H GLU A 204 5.877 -10.525 -1.728 1.00 0.00 H new ATOM 0 HA GLU A 204 4.100 -11.184 -3.920 1.00 0.00 H new ATOM 0 HB2 GLU A 204 6.880 -9.948 -3.805 1.00 0.00 H new ATOM 0 HB3 GLU A 204 5.987 -10.203 -5.291 1.00 0.00 H new ATOM 0 HG2 GLU A 204 4.142 -8.754 -4.285 1.00 0.00 H new ATOM 0 HG3 GLU A 204 5.274 -8.352 -3.008 1.00 0.00 H new ATOM 1595 N THR A 205 5.643 -12.883 -5.216 1.00 0.00 N ATOM 1596 CA THR A 205 6.301 -14.077 -5.718 1.00 0.00 C ATOM 1597 C THR A 205 7.774 -13.789 -6.011 1.00 0.00 C ATOM 1598 O THR A 205 8.563 -14.700 -6.246 1.00 0.00 O ATOM 1599 CB THR A 205 5.597 -14.627 -6.983 1.00 0.00 C ATOM 1600 OG1 THR A 205 6.170 -15.885 -7.367 1.00 0.00 O ATOM 1601 CG2 THR A 205 5.697 -13.646 -8.142 1.00 0.00 C ATOM 0 H THR A 205 5.026 -12.423 -5.886 1.00 0.00 H new ATOM 0 HA THR A 205 6.236 -14.842 -4.944 1.00 0.00 H new ATOM 0 HB THR A 205 4.544 -14.768 -6.740 1.00 0.00 H new ATOM 0 HG1 THR A 205 7.133 -15.874 -7.187 1.00 0.00 H new ATOM 0 HG21 THR A 205 5.193 -14.061 -9.015 1.00 0.00 H new ATOM 0 HG22 THR A 205 5.224 -12.704 -7.864 1.00 0.00 H new ATOM 0 HG23 THR A 205 6.746 -13.468 -8.379 1.00 0.00 H new ATOM 1609 N LEU A 206 8.133 -12.507 -5.976 1.00 0.00 N ATOM 1610 CA LEU A 206 9.515 -12.088 -6.173 1.00 0.00 C ATOM 1611 C LEU A 206 10.232 -11.991 -4.827 1.00 0.00 C ATOM 1612 O LEU A 206 11.345 -11.473 -4.735 1.00 0.00 O ATOM 1613 CB LEU A 206 9.590 -10.734 -6.895 1.00 0.00 C ATOM 1614 CG LEU A 206 9.037 -10.705 -8.321 1.00 0.00 C ATOM 1615 CD1 LEU A 206 7.526 -10.571 -8.302 1.00 0.00 C ATOM 1616 CD2 LEU A 206 9.665 -9.568 -9.112 1.00 0.00 C ATOM 0 H LEU A 206 7.481 -11.740 -5.812 1.00 0.00 H new ATOM 0 HA LEU A 206 10.005 -12.837 -6.795 1.00 0.00 H new ATOM 0 HB2 LEU A 206 9.049 -9.997 -6.301 1.00 0.00 H new ATOM 0 HB3 LEU A 206 10.632 -10.417 -6.924 1.00 0.00 H new ATOM 0 HG LEU A 206 9.292 -11.645 -8.810 1.00 0.00 H new ATOM 0 HD11 LEU A 206 7.150 -10.552 -9.325 1.00 0.00 H new ATOM 0 HD12 LEU A 206 7.092 -11.419 -7.771 1.00 0.00 H new ATOM 0 HD13 LEU A 206 7.249 -9.646 -7.796 1.00 0.00 H new ATOM 0 HD21 LEU A 206 9.260 -9.562 -10.124 1.00 0.00 H new ATOM 0 HD22 LEU A 206 9.440 -8.619 -8.626 1.00 0.00 H new ATOM 0 HD23 LEU A 206 10.745 -9.707 -9.154 1.00 0.00 H new ATOM 1628 N GLY A 207 9.567 -12.462 -3.779 1.00 0.00 N ATOM 1629 CA GLY A 207 10.165 -12.468 -2.459 1.00 0.00 C ATOM 1630 C GLY A 207 9.851 -11.217 -1.668 1.00 0.00 C ATOM 1631 O GLY A 207 9.810 -11.258 -0.439 1.00 0.00 O ATOM 0 H GLY A 207 8.621 -12.841 -3.821 1.00 0.00 H new ATOM 0 HA2 GLY A 207 9.810 -13.339 -1.908 1.00 0.00 H new ATOM 0 HA3 GLY A 207 11.246 -12.570 -2.555 1.00 0.00 H new ATOM 1635 N THR A 208 9.642 -10.100 -2.362 1.00 0.00 N ATOM 1636 CA THR A 208 9.261 -8.860 -1.703 1.00 0.00 C ATOM 1637 C THR A 208 7.975 -9.058 -0.917 1.00 0.00 C ATOM 1638 O THR A 208 6.919 -9.286 -1.488 1.00 0.00 O ATOM 1639 CB THR A 208 9.056 -7.727 -2.738 1.00 0.00 C ATOM 1640 OG1 THR A 208 10.304 -7.413 -3.370 1.00 0.00 O ATOM 1641 CG2 THR A 208 8.459 -6.467 -2.105 1.00 0.00 C ATOM 0 H THR A 208 9.730 -10.031 -3.376 1.00 0.00 H new ATOM 0 HA THR A 208 10.066 -8.578 -1.024 1.00 0.00 H new ATOM 0 HB THR A 208 8.345 -8.087 -3.482 1.00 0.00 H new ATOM 0 HG1 THR A 208 10.168 -6.697 -4.025 1.00 0.00 H new ATOM 0 HG21 THR A 208 8.334 -5.700 -2.869 1.00 0.00 H new ATOM 0 HG22 THR A 208 7.490 -6.704 -1.667 1.00 0.00 H new ATOM 0 HG23 THR A 208 9.128 -6.098 -1.328 1.00 0.00 H new ATOM 1649 N VAL A 209 8.066 -8.992 0.392 1.00 0.00 N ATOM 1650 CA VAL A 209 6.885 -9.048 1.213 1.00 0.00 C ATOM 1651 C VAL A 209 6.649 -7.715 1.879 1.00 0.00 C ATOM 1652 O VAL A 209 7.550 -7.125 2.478 1.00 0.00 O ATOM 1653 CB VAL A 209 6.931 -10.205 2.230 1.00 0.00 C ATOM 1654 CG1 VAL A 209 8.287 -10.388 2.842 1.00 0.00 C ATOM 1655 CG2 VAL A 209 5.913 -10.035 3.332 1.00 0.00 C ATOM 0 H VAL A 209 8.942 -8.900 0.906 1.00 0.00 H new ATOM 0 HA VAL A 209 6.036 -9.258 0.563 1.00 0.00 H new ATOM 0 HB VAL A 209 6.689 -11.098 1.654 1.00 0.00 H new ATOM 0 HG11 VAL A 209 8.258 -11.217 3.550 1.00 0.00 H new ATOM 0 HG12 VAL A 209 9.013 -10.605 2.059 1.00 0.00 H new ATOM 0 HG13 VAL A 209 8.577 -9.476 3.363 1.00 0.00 H new ATOM 0 HG21 VAL A 209 5.983 -10.874 4.024 1.00 0.00 H new ATOM 0 HG22 VAL A 209 6.108 -9.106 3.867 1.00 0.00 H new ATOM 0 HG23 VAL A 209 4.912 -10.002 2.901 1.00 0.00 H new ATOM 1665 N LEU A 210 5.431 -7.246 1.735 1.00 0.00 N ATOM 1666 CA LEU A 210 5.081 -5.895 2.092 1.00 0.00 C ATOM 1667 C LEU A 210 4.892 -5.756 3.591 1.00 0.00 C ATOM 1668 O LEU A 210 3.976 -6.336 4.177 1.00 0.00 O ATOM 1669 CB LEU A 210 3.828 -5.473 1.321 1.00 0.00 C ATOM 1670 CG LEU A 210 3.985 -5.429 -0.213 1.00 0.00 C ATOM 1671 CD1 LEU A 210 5.444 -5.282 -0.629 1.00 0.00 C ATOM 1672 CD2 LEU A 210 3.389 -6.658 -0.864 1.00 0.00 C ATOM 0 H LEU A 210 4.654 -7.794 1.366 1.00 0.00 H new ATOM 0 HA LEU A 210 5.899 -5.229 1.816 1.00 0.00 H new ATOM 0 HB2 LEU A 210 3.020 -6.161 1.568 1.00 0.00 H new ATOM 0 HB3 LEU A 210 3.523 -4.486 1.668 1.00 0.00 H new ATOM 0 HG LEU A 210 3.440 -4.550 -0.557 1.00 0.00 H new ATOM 0 HD11 LEU A 210 5.511 -5.255 -1.717 1.00 0.00 H new ATOM 0 HD12 LEU A 210 5.848 -4.357 -0.217 1.00 0.00 H new ATOM 0 HD13 LEU A 210 6.017 -6.129 -0.251 1.00 0.00 H new ATOM 0 HD21 LEU A 210 3.516 -6.595 -1.945 1.00 0.00 H new ATOM 0 HD22 LEU A 210 3.894 -7.549 -0.490 1.00 0.00 H new ATOM 0 HD23 LEU A 210 2.327 -6.716 -0.627 1.00 0.00 H new ATOM 1684 N GLN A 211 5.788 -4.999 4.206 1.00 0.00 N ATOM 1685 CA GLN A 211 5.763 -4.796 5.641 1.00 0.00 C ATOM 1686 C GLN A 211 4.922 -3.581 5.990 1.00 0.00 C ATOM 1687 O GLN A 211 5.428 -2.461 6.049 1.00 0.00 O ATOM 1688 CB GLN A 211 7.180 -4.602 6.180 1.00 0.00 C ATOM 1689 CG GLN A 211 8.143 -5.715 5.808 1.00 0.00 C ATOM 1690 CD GLN A 211 9.500 -5.532 6.455 1.00 0.00 C ATOM 1691 OE1 GLN A 211 9.603 -5.000 7.563 1.00 0.00 O ATOM 1692 NE2 GLN A 211 10.550 -5.936 5.759 1.00 0.00 N ATOM 0 H GLN A 211 6.546 -4.513 3.727 1.00 0.00 H new ATOM 0 HA GLN A 211 5.324 -5.682 6.100 1.00 0.00 H new ATOM 0 HB2 GLN A 211 7.573 -3.656 5.806 1.00 0.00 H new ATOM 0 HB3 GLN A 211 7.136 -4.522 7.266 1.00 0.00 H new ATOM 0 HG2 GLN A 211 7.723 -6.674 6.112 1.00 0.00 H new ATOM 0 HG3 GLN A 211 8.259 -5.747 4.725 1.00 0.00 H new ATOM 0 HE21 GLN A 211 10.420 -6.372 4.846 1.00 0.00 H new ATOM 0 HE22 GLN A 211 11.490 -5.812 6.135 1.00 0.00 H new ATOM 1701 N LEU A 212 3.642 -3.804 6.207 1.00 0.00 N ATOM 1702 CA LEU A 212 2.745 -2.748 6.639 1.00 0.00 C ATOM 1703 C LEU A 212 2.924 -2.519 8.136 1.00 0.00 C ATOM 1704 O LEU A 212 2.491 -3.334 8.951 1.00 0.00 O ATOM 1705 CB LEU A 212 1.285 -3.109 6.332 1.00 0.00 C ATOM 1706 CG LEU A 212 0.848 -3.042 4.858 1.00 0.00 C ATOM 1707 CD1 LEU A 212 1.570 -4.073 4.002 1.00 0.00 C ATOM 1708 CD2 LEU A 212 -0.656 -3.235 4.758 1.00 0.00 C ATOM 0 H LEU A 212 3.196 -4.714 6.091 1.00 0.00 H new ATOM 0 HA LEU A 212 2.987 -1.835 6.095 1.00 0.00 H new ATOM 0 HB2 LEU A 212 1.102 -4.120 6.695 1.00 0.00 H new ATOM 0 HB3 LEU A 212 0.642 -2.443 6.907 1.00 0.00 H new ATOM 0 HG LEU A 212 1.117 -2.057 4.475 1.00 0.00 H new ATOM 0 HD11 LEU A 212 1.231 -3.990 2.969 1.00 0.00 H new ATOM 0 HD12 LEU A 212 2.644 -3.895 4.047 1.00 0.00 H new ATOM 0 HD13 LEU A 212 1.352 -5.073 4.376 1.00 0.00 H new ATOM 0 HD21 LEU A 212 -0.960 -3.187 3.712 1.00 0.00 H new ATOM 0 HD22 LEU A 212 -0.926 -4.207 5.170 1.00 0.00 H new ATOM 0 HD23 LEU A 212 -1.162 -2.450 5.320 1.00 0.00 H new ATOM 1720 N LYS A 213 3.592 -1.434 8.494 1.00 0.00 N ATOM 1721 CA LYS A 213 3.873 -1.137 9.893 1.00 0.00 C ATOM 1722 C LYS A 213 3.118 0.101 10.371 1.00 0.00 C ATOM 1723 O LYS A 213 2.395 0.044 11.368 1.00 0.00 O ATOM 1724 CB LYS A 213 5.379 -0.961 10.110 1.00 0.00 C ATOM 1725 CG LYS A 213 6.142 -2.277 10.170 1.00 0.00 C ATOM 1726 CD LYS A 213 7.643 -2.053 10.283 1.00 0.00 C ATOM 1727 CE LYS A 213 8.363 -3.298 10.783 1.00 0.00 C ATOM 1728 NZ LYS A 213 8.148 -4.479 9.900 1.00 0.00 N1+ ATOM 0 H LYS A 213 3.951 -0.743 7.836 1.00 0.00 H new ATOM 0 HA LYS A 213 3.526 -1.984 10.485 1.00 0.00 H new ATOM 0 HB2 LYS A 213 5.785 -0.351 9.303 1.00 0.00 H new ATOM 0 HB3 LYS A 213 5.543 -0.413 11.038 1.00 0.00 H new ATOM 0 HG2 LYS A 213 5.796 -2.860 11.024 1.00 0.00 H new ATOM 0 HG3 LYS A 213 5.928 -2.863 9.276 1.00 0.00 H new ATOM 0 HD2 LYS A 213 8.043 -1.768 9.310 1.00 0.00 H new ATOM 0 HD3 LYS A 213 7.837 -1.223 10.963 1.00 0.00 H new ATOM 0 HE2 LYS A 213 9.431 -3.092 10.854 1.00 0.00 H new ATOM 0 HE3 LYS A 213 8.017 -3.534 11.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 213 8.419 -5.346 10.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 213 7.145 -4.534 9.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 213 8.730 -4.383 9.043 1.00 0.00 H new ATOM 1742 N GLN A 214 3.288 1.216 9.670 1.00 0.00 N ATOM 1743 CA GLN A 214 2.614 2.456 10.043 1.00 0.00 C ATOM 1744 C GLN A 214 2.161 3.235 8.809 1.00 0.00 C ATOM 1745 O GLN A 214 2.817 3.214 7.767 1.00 0.00 O ATOM 1746 CB GLN A 214 3.499 3.327 10.956 1.00 0.00 C ATOM 1747 CG GLN A 214 4.995 3.063 10.857 1.00 0.00 C ATOM 1748 CD GLN A 214 5.617 3.540 9.561 1.00 0.00 C ATOM 1749 OE1 GLN A 214 5.164 4.511 8.954 1.00 0.00 O ATOM 1750 NE2 GLN A 214 6.675 2.869 9.141 1.00 0.00 N ATOM 0 H GLN A 214 3.883 1.288 8.845 1.00 0.00 H new ATOM 0 HA GLN A 214 1.723 2.184 10.610 1.00 0.00 H new ATOM 0 HB2 GLN A 214 3.315 4.375 10.719 1.00 0.00 H new ATOM 0 HB3 GLN A 214 3.187 3.174 11.989 1.00 0.00 H new ATOM 0 HG2 GLN A 214 5.497 3.553 11.691 1.00 0.00 H new ATOM 0 HG3 GLN A 214 5.173 1.993 10.962 1.00 0.00 H new ATOM 0 HE21 GLN A 214 7.017 2.070 9.675 1.00 0.00 H new ATOM 0 HE22 GLN A 214 7.150 3.150 8.283 1.00 0.00 H new ATOM 1759 N PRO A 215 1.004 3.906 8.911 1.00 0.00 N ATOM 1760 CA PRO A 215 0.401 4.637 7.792 1.00 0.00 C ATOM 1761 C PRO A 215 1.125 5.939 7.465 1.00 0.00 C ATOM 1762 O PRO A 215 1.628 6.628 8.357 1.00 0.00 O ATOM 1763 CB PRO A 215 -1.012 4.928 8.293 1.00 0.00 C ATOM 1764 CG PRO A 215 -0.878 5.000 9.773 1.00 0.00 C ATOM 1765 CD PRO A 215 0.179 3.995 10.134 1.00 0.00 C ATOM 0 HA PRO A 215 0.442 4.061 6.867 1.00 0.00 H new ATOM 0 HB2 PRO A 215 -1.393 5.864 7.883 1.00 0.00 H new ATOM 0 HB3 PRO A 215 -1.708 4.143 7.996 1.00 0.00 H new ATOM 0 HG2 PRO A 215 -0.591 6.002 10.092 1.00 0.00 H new ATOM 0 HG3 PRO A 215 -1.823 4.768 10.264 1.00 0.00 H new ATOM 0 HD2 PRO A 215 0.767 4.322 10.992 1.00 0.00 H new ATOM 0 HD3 PRO A 215 -0.257 3.031 10.395 1.00 0.00 H new ATOM 1773 N LEU A 216 1.176 6.266 6.178 1.00 0.00 N ATOM 1774 CA LEU A 216 1.777 7.511 5.718 1.00 0.00 C ATOM 1775 C LEU A 216 0.762 8.642 5.840 1.00 0.00 C ATOM 1776 O LEU A 216 -0.302 8.596 5.217 1.00 0.00 O ATOM 1777 CB LEU A 216 2.217 7.375 4.255 1.00 0.00 C ATOM 1778 CG LEU A 216 3.478 8.154 3.844 1.00 0.00 C ATOM 1779 CD1 LEU A 216 3.617 8.164 2.339 1.00 0.00 C ATOM 1780 CD2 LEU A 216 3.467 9.580 4.350 1.00 0.00 C ATOM 0 H LEU A 216 0.805 5.680 5.430 1.00 0.00 H new ATOM 0 HA LEU A 216 2.649 7.733 6.333 1.00 0.00 H new ATOM 0 HB2 LEU A 216 2.385 6.319 4.046 1.00 0.00 H new ATOM 0 HB3 LEU A 216 1.393 7.699 3.619 1.00 0.00 H new ATOM 0 HG LEU A 216 4.327 7.643 4.299 1.00 0.00 H new ATOM 0 HD11 LEU A 216 4.513 8.718 2.060 1.00 0.00 H new ATOM 0 HD12 LEU A 216 3.695 7.140 1.974 1.00 0.00 H new ATOM 0 HD13 LEU A 216 2.743 8.641 1.896 1.00 0.00 H new ATOM 0 HD21 LEU A 216 4.379 10.086 4.033 1.00 0.00 H new ATOM 0 HD22 LEU A 216 2.602 10.104 3.944 1.00 0.00 H new ATOM 0 HD23 LEU A 216 3.413 9.579 5.439 1.00 0.00 H new ATOM 1792 N ASN A 217 1.102 9.654 6.629 1.00 0.00 N ATOM 1793 CA ASN A 217 0.227 10.801 6.852 1.00 0.00 C ATOM 1794 C ASN A 217 -0.116 11.499 5.539 1.00 0.00 C ATOM 1795 O ASN A 217 0.702 11.556 4.618 1.00 0.00 O ATOM 1796 CB ASN A 217 0.895 11.797 7.804 1.00 0.00 C ATOM 1797 CG ASN A 217 1.204 11.186 9.157 1.00 0.00 C ATOM 1798 OD1 ASN A 217 2.302 10.676 9.386 1.00 0.00 O ATOM 1799 ND2 ASN A 217 0.237 11.226 10.058 1.00 0.00 N ATOM 0 H ASN A 217 1.988 9.704 7.131 1.00 0.00 H new ATOM 0 HA ASN A 217 -0.697 10.434 7.298 1.00 0.00 H new ATOM 0 HB2 ASN A 217 1.818 12.162 7.354 1.00 0.00 H new ATOM 0 HB3 ASN A 217 0.243 12.660 7.939 1.00 0.00 H new ATOM 0 HD21 ASN A 217 0.386 10.825 10.984 1.00 0.00 H new ATOM 0 HD22 ASN A 217 -0.658 11.658 9.827 1.00 0.00 H new ATOM 1806 N THR A 218 -1.332 12.019 5.455 1.00 0.00 N ATOM 1807 CA THR A 218 -1.790 12.697 4.255 1.00 0.00 C ATOM 1808 C THR A 218 -1.155 14.073 4.114 1.00 0.00 C ATOM 1809 O THR A 218 -1.486 15.002 4.849 1.00 0.00 O ATOM 1810 CB THR A 218 -3.318 12.850 4.243 1.00 0.00 C ATOM 1811 OG1 THR A 218 -3.785 13.209 5.550 1.00 0.00 O ATOM 1812 CG2 THR A 218 -3.993 11.568 3.780 1.00 0.00 C ATOM 0 H THR A 218 -2.020 11.983 6.207 1.00 0.00 H new ATOM 0 HA THR A 218 -1.486 12.075 3.414 1.00 0.00 H new ATOM 0 HB THR A 218 -3.576 13.642 3.539 1.00 0.00 H new ATOM 0 HG1 THR A 218 -3.275 13.979 5.879 1.00 0.00 H new ATOM 0 HG21 THR A 218 -5.074 11.705 3.781 1.00 0.00 H new ATOM 0 HG22 THR A 218 -3.659 11.325 2.771 1.00 0.00 H new ATOM 0 HG23 THR A 218 -3.730 10.754 4.455 1.00 0.00 H new ATOM 1820 N THR A 219 -0.250 14.193 3.164 1.00 0.00 N ATOM 1821 CA THR A 219 0.383 15.462 2.872 1.00 0.00 C ATOM 1822 C THR A 219 -0.105 15.982 1.524 1.00 0.00 C ATOM 1823 O THR A 219 0.096 15.350 0.483 1.00 0.00 O ATOM 1824 CB THR A 219 1.928 15.348 2.895 1.00 0.00 C ATOM 1825 OG1 THR A 219 2.537 16.556 2.419 1.00 0.00 O ATOM 1826 CG2 THR A 219 2.403 14.173 2.062 1.00 0.00 C ATOM 0 H THR A 219 0.065 13.420 2.577 1.00 0.00 H new ATOM 0 HA THR A 219 0.103 16.172 3.650 1.00 0.00 H new ATOM 0 HB THR A 219 2.228 15.185 3.930 1.00 0.00 H new ATOM 0 HG1 THR A 219 3.221 16.850 3.056 1.00 0.00 H new ATOM 0 HG21 THR A 219 3.491 14.118 2.097 1.00 0.00 H new ATOM 0 HG22 THR A 219 1.980 13.250 2.460 1.00 0.00 H new ATOM 0 HG23 THR A 219 2.079 14.305 1.029 1.00 0.00 H new ATOM 1947 N ALA B 1 2.127 -5.677 -6.748 1.00 0.00 N ATOM 1948 CA ALA B 1 2.402 -6.937 -6.057 1.00 0.00 C ATOM 1949 C ALA B 1 1.278 -7.951 -6.231 1.00 0.00 C ATOM 1950 O ALA B 1 0.110 -7.670 -5.956 1.00 0.00 O ATOM 1951 CB ALA B 1 2.643 -6.662 -4.575 1.00 0.00 C ATOM 0 H1 ALA B 1 2.935 -5.431 -7.355 1.00 0.00 H new ATOM 0 H2 ALA B 1 1.273 -5.781 -7.333 1.00 0.00 H new ATOM 0 H3 ALA B 1 1.978 -4.923 -6.048 1.00 0.00 H new ATOM 0 HA ALA B 1 3.295 -7.374 -6.504 1.00 0.00 H new ATOM 0 HB1 ALA B 1 2.848 -7.600 -4.059 1.00 0.00 H new ATOM 0 HB2 ALA B 1 3.496 -5.993 -4.463 1.00 0.00 H new ATOM 0 HB3 ALA B 1 1.757 -6.196 -4.143 1.00 0.00 H new ATOM 1957 N THR B 2 1.661 -9.129 -6.720 1.00 0.00 N ATOM 1958 CA THR B 2 0.741 -10.239 -6.925 1.00 0.00 C ATOM 1959 C THR B 2 0.120 -10.689 -5.610 1.00 0.00 C ATOM 1960 O THR B 2 -1.100 -10.815 -5.508 1.00 0.00 O ATOM 1961 CB THR B 2 1.477 -11.438 -7.541 1.00 0.00 C ATOM 1962 OG1 THR B 2 2.315 -11.002 -8.613 1.00 0.00 O ATOM 1963 CG2 THR B 2 0.485 -12.467 -8.049 1.00 0.00 C ATOM 0 H THR B 2 2.623 -9.338 -6.985 1.00 0.00 H new ATOM 0 HA THR B 2 -0.042 -9.889 -7.597 1.00 0.00 H new ATOM 0 HB THR B 2 2.094 -11.898 -6.769 1.00 0.00 H new ATOM 0 HG1 THR B 2 2.781 -11.773 -8.998 1.00 0.00 H new ATOM 0 HG21 THR B 2 1.024 -13.309 -8.482 1.00 0.00 H new ATOM 0 HG22 THR B 2 -0.131 -12.818 -7.221 1.00 0.00 H new ATOM 0 HG23 THR B 2 -0.152 -12.014 -8.809 1.00 0.00 H new ATOM 1971 N ILE B 3 0.979 -10.957 -4.629 1.00 0.00 N ATOM 1972 CA ILE B 3 0.575 -11.358 -3.297 1.00 0.00 C ATOM 1973 C ILE B 3 0.294 -12.845 -3.284 1.00 0.00 C ATOM 1974 O ILE B 3 -0.847 -13.293 -3.420 1.00 0.00 O ATOM 1975 CB ILE B 3 -0.636 -10.580 -2.736 1.00 0.00 C ATOM 1976 CG1 ILE B 3 -0.443 -9.063 -2.880 1.00 0.00 C ATOM 1977 CG2 ILE B 3 -0.828 -10.947 -1.274 1.00 0.00 C ATOM 1978 CD1 ILE B 3 0.786 -8.529 -2.179 1.00 0.00 C ATOM 0 H ILE B 3 1.991 -10.899 -4.746 1.00 0.00 H new ATOM 0 HA ILE B 3 1.407 -11.114 -2.637 1.00 0.00 H new ATOM 0 HB ILE B 3 -1.522 -10.854 -3.308 1.00 0.00 H new ATOM 0 HG12 ILE B 3 -0.381 -8.814 -3.939 1.00 0.00 H new ATOM 0 HG13 ILE B 3 -1.323 -8.556 -2.484 1.00 0.00 H new ATOM 0 HG21 ILE B 3 -1.681 -10.402 -0.871 1.00 0.00 H new ATOM 0 HG22 ILE B 3 -1.009 -12.018 -1.189 1.00 0.00 H new ATOM 0 HG23 ILE B 3 0.068 -10.685 -0.712 1.00 0.00 H new ATOM 0 HD11 ILE B 3 0.851 -7.451 -2.328 1.00 0.00 H new ATOM 0 HD12 ILE B 3 0.719 -8.744 -1.113 1.00 0.00 H new ATOM 0 HD13 ILE B 3 1.676 -9.006 -2.590 1.00 0.00 H new ATOM 1990 N VAL B 4 1.365 -13.603 -3.156 1.00 0.00 N ATOM 1991 CA VAL B 4 1.278 -15.037 -3.100 1.00 0.00 C ATOM 1992 C VAL B 4 1.538 -15.507 -1.686 1.00 0.00 C ATOM 1993 O VAL B 4 2.483 -15.071 -1.029 1.00 0.00 O ATOM 1994 CB VAL B 4 2.260 -15.729 -4.069 1.00 0.00 C ATOM 1995 CG1 VAL B 4 1.886 -15.431 -5.510 1.00 0.00 C ATOM 1996 CG2 VAL B 4 3.695 -15.308 -3.792 1.00 0.00 C ATOM 0 H VAL B 4 2.315 -13.237 -3.089 1.00 0.00 H new ATOM 0 HA VAL B 4 0.271 -15.313 -3.411 1.00 0.00 H new ATOM 0 HB VAL B 4 2.189 -16.804 -3.907 1.00 0.00 H new ATOM 0 HG11 VAL B 4 2.590 -15.927 -6.179 1.00 0.00 H new ATOM 0 HG12 VAL B 4 0.878 -15.797 -5.707 1.00 0.00 H new ATOM 0 HG13 VAL B 4 1.921 -14.355 -5.680 1.00 0.00 H new ATOM 0 HG21 VAL B 4 4.363 -15.812 -4.490 1.00 0.00 H new ATOM 0 HG22 VAL B 4 3.788 -14.229 -3.915 1.00 0.00 H new ATOM 0 HG23 VAL B 4 3.964 -15.581 -2.772 1.00 0.00 H new