USER MOD reduce.3.24.130724 H: found=0, std=0, add=684, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 685 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 46 MET CE :methyl -114:sc= -4.4! (180deg=-8.44!) USER MOD Set 1.2: A 100 SER OG : rot 91:sc= 0.0794 USER MOD Set 2.1: A 67 GLN : amide:sc= -1.28 K(o=-2.6,f=-7.8!) USER MOD Set 2.2: A 69 HIS : no HD1:sc= -1.28 K(o=-2.6,f=-4.3!) USER MOD Set 3.1: A 25 GLN : amide:sc= -4.09! C(o=-4.1!,f=-7.2!) USER MOD Set 3.2: A 43 THR OG1 : rot 180:sc= -0.0592 USER MOD Single : A 27 THR OG1 : rot 160:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -149:sc= -0.397 (180deg=-0.588) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.739 K(o=-0.74,f=-1.3!) USER MOD Single : A 41 LYS NZ :NH3+ 179:sc= 1.26 (180deg=1.25) USER MOD Single : A 45 THR OG1 : rot 180:sc= -1.18 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HD1:sc= -3.59 X(o=-3.6,f=-4) USER MOD Single : A 55 GLN :FLIP amide:sc= -0.112 F(o=-1.2,f=-0.11) USER MOD Single : A 56 TYR OH : rot 180:sc= -0.374 USER MOD Single : A 58 MET CE :methyl -149:sc= 0 (180deg=-0.203) USER MOD Single : A 60 LYS NZ :NH3+ -157:sc= -1.62 (180deg=-2.36!) USER MOD Single : A 61 GLN : amide:sc= -0.329 X(o=-0.33,f=-0.098) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN :FLIP amide:sc= -0.417 F(o=-1,f=-0.42) USER MOD Single : A 72 HIS :FLIP no HE2:sc= -1.76 F(o=-3.1,f=-1.8) USER MOD Single : A 73 CYS SG : rot 93:sc= -6.55! USER MOD Single : A 74 SER OG : rot 180:sc= 0.0801 USER MOD Single : A 75 ASN : amide:sc= -0.0358 K(o=-0.036,f=-1.6!) USER MOD Single : A 85 GLN : amide:sc= -0.0472 X(o=-0.047,f=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 HIS :FLIP no HE2:sc= 0.0466 F(o=-0.6,f=0.047) USER MOD Single : A 96 TYR OH : rot 30:sc= -0.634 USER MOD Single : A 98 MET CE :methyl 177:sc= 0 (180deg=-0.00648) USER MOD Single : A 102 ASN : amide:sc= -2.22! C(o=-2.2!,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 156 N LEU A 23 -0.532 13.798 -0.704 1.00 1.00 N ATOM 157 CA LEU A 23 -0.633 12.812 0.366 1.00 1.00 C ATOM 158 C LEU A 23 -2.042 12.235 0.448 1.00 1.00 C ATOM 159 O LEU A 23 -3.023 12.922 0.166 1.00 1.00 O ATOM 160 CB LEU A 23 -0.251 13.436 1.712 1.00 1.00 C ATOM 161 CG LEU A 23 0.902 14.445 1.663 1.00 1.00 C ATOM 162 CD1 LEU A 23 0.496 15.752 2.327 1.00 1.00 C ATOM 163 CD2 LEU A 23 2.143 13.871 2.331 1.00 1.00 C ATOM 0 HA LEU A 23 0.062 12.003 0.138 1.00 1.00 H new ATOM 0 HB2 LEU A 23 -1.129 13.932 2.126 1.00 1.00 H new ATOM 0 HB3 LEU A 23 0.017 12.636 2.402 1.00 1.00 H new ATOM 0 HG LEU A 23 1.136 14.648 0.618 1.00 1.00 H new ATOM 0 HD11 LEU A 23 1.327 16.456 2.283 1.00 1.00 H new ATOM 0 HD12 LEU A 23 -0.364 16.173 1.806 1.00 1.00 H new ATOM 0 HD13 LEU A 23 0.234 15.565 3.368 1.00 1.00 H new ATOM 0 HD21 LEU A 23 2.951 14.601 2.287 1.00 1.00 H new ATOM 0 HD22 LEU A 23 1.921 13.638 3.373 1.00 1.00 H new ATOM 0 HD23 LEU A 23 2.447 12.961 1.813 1.00 1.00 H new ATOM 175 N VAL A 24 -2.134 10.970 0.848 1.00 1.00 N ATOM 176 CA VAL A 24 -3.424 10.304 0.982 1.00 1.00 C ATOM 177 C VAL A 24 -3.750 10.069 2.455 1.00 1.00 C ATOM 178 O VAL A 24 -2.871 10.162 3.311 1.00 1.00 O ATOM 179 CB VAL A 24 -3.470 8.958 0.223 1.00 1.00 C ATOM 180 CG1 VAL A 24 -3.957 9.171 -1.202 1.00 1.00 C ATOM 181 CG2 VAL A 24 -2.109 8.273 0.228 1.00 1.00 C ATOM 0 H VAL A 24 -1.331 10.387 1.085 1.00 1.00 H new ATOM 0 HA VAL A 24 -4.170 10.964 0.538 1.00 1.00 H new ATOM 0 HB VAL A 24 -4.173 8.304 0.739 1.00 1.00 H new ATOM 0 HG11 VAL A 24 -3.984 8.215 -1.724 1.00 1.00 H new ATOM 0 HG12 VAL A 24 -4.958 9.603 -1.184 1.00 1.00 H new ATOM 0 HG13 VAL A 24 -3.279 9.848 -1.721 1.00 1.00 H new ATOM 0 HG21 VAL A 24 -2.175 7.329 -0.314 1.00 1.00 H new ATOM 0 HG22 VAL A 24 -1.375 8.918 -0.255 1.00 1.00 H new ATOM 0 HG23 VAL A 24 -1.802 8.081 1.256 1.00 1.00 H new ATOM 191 N GLN A 25 -5.014 9.781 2.751 1.00 1.00 N ATOM 192 CA GLN A 25 -5.435 9.554 4.130 1.00 1.00 C ATOM 193 C GLN A 25 -5.980 8.140 4.327 1.00 1.00 C ATOM 194 O GLN A 25 -7.125 7.854 3.981 1.00 1.00 O ATOM 195 CB GLN A 25 -6.498 10.579 4.529 1.00 1.00 C ATOM 196 CG GLN A 25 -6.659 10.734 6.032 1.00 1.00 C ATOM 197 CD GLN A 25 -5.734 11.786 6.612 1.00 1.00 C ATOM 198 OE1 GLN A 25 -5.335 12.725 5.924 1.00 1.00 O ATOM 199 NE2 GLN A 25 -5.388 11.633 7.885 1.00 1.00 N ATOM 0 H GLN A 25 -5.760 9.700 2.060 1.00 1.00 H new ATOM 0 HA GLN A 25 -4.558 9.669 4.768 1.00 1.00 H new ATOM 0 HB2 GLN A 25 -6.238 11.546 4.098 1.00 1.00 H new ATOM 0 HB3 GLN A 25 -7.455 10.284 4.098 1.00 1.00 H new ATOM 0 HG2 GLN A 25 -7.692 10.999 6.258 1.00 1.00 H new ATOM 0 HG3 GLN A 25 -6.463 9.777 6.515 1.00 1.00 H new ATOM 0 HE21 GLN A 25 -5.743 10.839 8.418 1.00 1.00 H new ATOM 0 HE22 GLN A 25 -4.768 12.310 8.330 1.00 1.00 H new ATOM 208 N PRO A 26 -5.164 7.232 4.892 1.00 1.00 N ATOM 209 CA PRO A 26 -5.572 5.846 5.141 1.00 1.00 C ATOM 210 C PRO A 26 -6.605 5.742 6.257 1.00 1.00 C ATOM 211 O PRO A 26 -6.394 6.254 7.356 1.00 1.00 O ATOM 212 CB PRO A 26 -4.269 5.148 5.569 1.00 1.00 C ATOM 213 CG PRO A 26 -3.174 6.109 5.241 1.00 1.00 C ATOM 214 CD PRO A 26 -3.785 7.475 5.333 1.00 1.00 C ATOM 0 HA PRO A 26 -6.040 5.403 4.262 1.00 1.00 H new ATOM 0 HB2 PRO A 26 -4.280 4.915 6.634 1.00 1.00 H new ATOM 0 HB3 PRO A 26 -4.136 4.206 5.038 1.00 1.00 H new ATOM 0 HG2 PRO A 26 -2.342 6.006 5.937 1.00 1.00 H new ATOM 0 HG3 PRO A 26 -2.778 5.924 4.242 1.00 1.00 H new ATOM 0 HD2 PRO A 26 -3.746 7.870 6.348 1.00 1.00 H new ATOM 0 HD3 PRO A 26 -3.274 8.193 4.692 1.00 1.00 H new ATOM 222 N THR A 27 -7.719 5.070 5.978 1.00 1.00 N ATOM 223 CA THR A 27 -8.774 4.895 6.972 1.00 1.00 C ATOM 224 C THR A 27 -8.185 4.412 8.297 1.00 1.00 C ATOM 225 O THR A 27 -7.083 3.865 8.329 1.00 1.00 O ATOM 226 CB THR A 27 -9.817 3.896 6.468 1.00 1.00 C ATOM 227 OG1 THR A 27 -9.193 2.719 5.985 1.00 1.00 O ATOM 228 CG2 THR A 27 -10.683 4.446 5.355 1.00 1.00 C ATOM 0 H THR A 27 -7.914 4.639 5.074 1.00 1.00 H new ATOM 0 HA THR A 27 -9.257 5.858 7.135 1.00 1.00 H new ATOM 0 HB THR A 27 -10.451 3.682 7.328 1.00 1.00 H new ATOM 0 HG1 THR A 27 -9.844 1.986 5.970 1.00 1.00 H new ATOM 0 HG21 THR A 27 -11.401 3.687 5.044 1.00 1.00 H new ATOM 0 HG22 THR A 27 -11.217 5.327 5.711 1.00 1.00 H new ATOM 0 HG23 THR A 27 -10.055 4.721 4.507 1.00 1.00 H new ATOM 236 N PRO A 28 -8.908 4.608 9.413 1.00 1.00 N ATOM 237 CA PRO A 28 -8.447 4.191 10.738 1.00 1.00 C ATOM 238 C PRO A 28 -7.863 2.781 10.733 1.00 1.00 C ATOM 239 O PRO A 28 -6.923 2.485 11.470 1.00 1.00 O ATOM 240 CB PRO A 28 -9.714 4.251 11.609 1.00 1.00 C ATOM 241 CG PRO A 28 -10.841 4.584 10.680 1.00 1.00 C ATOM 242 CD PRO A 28 -10.224 5.247 9.483 1.00 1.00 C ATOM 0 HA PRO A 28 -7.642 4.830 11.103 1.00 1.00 H new ATOM 0 HB2 PRO A 28 -9.889 3.298 12.108 1.00 1.00 H new ATOM 0 HB3 PRO A 28 -9.616 5.006 12.389 1.00 1.00 H new ATOM 0 HG2 PRO A 28 -11.383 3.684 10.389 1.00 1.00 H new ATOM 0 HG3 PRO A 28 -11.559 5.246 11.163 1.00 1.00 H new ATOM 0 HD2 PRO A 28 -10.807 5.076 8.578 1.00 1.00 H new ATOM 0 HD3 PRO A 28 -10.145 6.326 9.612 1.00 1.00 H new ATOM 250 N LEU A 29 -8.420 1.916 9.890 1.00 1.00 N ATOM 251 CA LEU A 29 -7.945 0.541 9.786 1.00 1.00 C ATOM 252 C LEU A 29 -6.579 0.499 9.110 1.00 1.00 C ATOM 253 O LEU A 29 -5.593 0.053 9.701 1.00 1.00 O ATOM 254 CB LEU A 29 -8.947 -0.312 9.004 1.00 1.00 C ATOM 255 CG LEU A 29 -8.604 -1.801 8.913 1.00 1.00 C ATOM 256 CD1 LEU A 29 -8.266 -2.359 10.288 1.00 1.00 C ATOM 257 CD2 LEU A 29 -9.758 -2.574 8.292 1.00 1.00 C ATOM 0 H LEU A 29 -9.198 2.143 9.271 1.00 1.00 H new ATOM 0 HA LEU A 29 -7.849 0.133 10.792 1.00 1.00 H new ATOM 0 HB2 LEU A 29 -9.928 -0.209 9.468 1.00 1.00 H new ATOM 0 HB3 LEU A 29 -9.029 0.088 7.993 1.00 1.00 H new ATOM 0 HG LEU A 29 -7.728 -1.914 8.274 1.00 1.00 H new ATOM 0 HD11 LEU A 29 -8.025 -3.419 10.202 1.00 1.00 H new ATOM 0 HD12 LEU A 29 -7.409 -1.824 10.697 1.00 1.00 H new ATOM 0 HD13 LEU A 29 -9.122 -2.234 10.952 1.00 1.00 H new ATOM 0 HD21 LEU A 29 -9.499 -3.631 8.234 1.00 1.00 H new ATOM 0 HD22 LEU A 29 -10.650 -2.452 8.907 1.00 1.00 H new ATOM 0 HD23 LEU A 29 -9.953 -2.193 7.290 1.00 1.00 H new ATOM 269 N LEU A 30 -6.523 0.979 7.870 1.00 1.00 N ATOM 270 CA LEU A 30 -5.273 1.007 7.119 1.00 1.00 C ATOM 271 C LEU A 30 -4.200 1.751 7.907 1.00 1.00 C ATOM 272 O LEU A 30 -3.029 1.373 7.897 1.00 1.00 O ATOM 273 CB LEU A 30 -5.486 1.676 5.757 1.00 1.00 C ATOM 274 CG LEU A 30 -4.337 1.511 4.756 1.00 1.00 C ATOM 275 CD1 LEU A 30 -3.823 0.078 4.754 1.00 1.00 C ATOM 276 CD2 LEU A 30 -4.787 1.918 3.360 1.00 1.00 C ATOM 0 H LEU A 30 -7.327 1.353 7.366 1.00 1.00 H new ATOM 0 HA LEU A 30 -4.942 -0.019 6.957 1.00 1.00 H new ATOM 0 HB2 LEU A 30 -6.395 1.272 5.311 1.00 1.00 H new ATOM 0 HB3 LEU A 30 -5.656 2.741 5.917 1.00 1.00 H new ATOM 0 HG LEU A 30 -3.520 2.165 5.062 1.00 1.00 H new ATOM 0 HD11 LEU A 30 -3.008 -0.015 4.036 1.00 1.00 H new ATOM 0 HD12 LEU A 30 -3.461 -0.180 5.749 1.00 1.00 H new ATOM 0 HD13 LEU A 30 -4.631 -0.598 4.475 1.00 1.00 H new ATOM 0 HD21 LEU A 30 -3.960 1.795 2.661 1.00 1.00 H new ATOM 0 HD22 LEU A 30 -5.621 1.289 3.049 1.00 1.00 H new ATOM 0 HD23 LEU A 30 -5.102 2.961 3.369 1.00 1.00 H new ATOM 288 N LEU A 31 -4.619 2.809 8.595 1.00 1.00 N ATOM 289 CA LEU A 31 -3.714 3.621 9.405 1.00 1.00 C ATOM 290 C LEU A 31 -2.841 2.749 10.307 1.00 1.00 C ATOM 291 O LEU A 31 -1.625 2.678 10.127 1.00 1.00 O ATOM 292 CB LEU A 31 -4.518 4.608 10.257 1.00 1.00 C ATOM 293 CG LEU A 31 -4.381 6.076 9.852 1.00 1.00 C ATOM 294 CD1 LEU A 31 -5.210 6.961 10.770 1.00 1.00 C ATOM 295 CD2 LEU A 31 -2.920 6.500 9.873 1.00 1.00 C ATOM 0 H LEU A 31 -5.588 3.127 8.608 1.00 1.00 H new ATOM 0 HA LEU A 31 -3.060 4.171 8.729 1.00 1.00 H new ATOM 0 HB2 LEU A 31 -5.571 4.331 10.210 1.00 1.00 H new ATOM 0 HB3 LEU A 31 -4.207 4.504 11.297 1.00 1.00 H new ATOM 0 HG LEU A 31 -4.756 6.191 8.835 1.00 1.00 H new ATOM 0 HD11 LEU A 31 -5.101 8.002 10.467 1.00 1.00 H new ATOM 0 HD12 LEU A 31 -6.259 6.672 10.704 1.00 1.00 H new ATOM 0 HD13 LEU A 31 -4.865 6.844 11.797 1.00 1.00 H new ATOM 0 HD21 LEU A 31 -2.841 7.548 9.582 1.00 1.00 H new ATOM 0 HD22 LEU A 31 -2.518 6.371 10.878 1.00 1.00 H new ATOM 0 HD23 LEU A 31 -2.353 5.886 9.174 1.00 1.00 H new ATOM 307 N SER A 32 -3.471 2.093 11.280 1.00 1.00 N ATOM 308 CA SER A 32 -2.756 1.229 12.220 1.00 1.00 C ATOM 309 C SER A 32 -1.766 0.318 11.498 1.00 1.00 C ATOM 310 O SER A 32 -0.636 0.140 11.949 1.00 1.00 O ATOM 311 CB SER A 32 -3.748 0.386 13.024 1.00 1.00 C ATOM 312 OG SER A 32 -3.322 0.240 14.368 1.00 1.00 O ATOM 0 H SER A 32 -4.477 2.143 11.439 1.00 1.00 H new ATOM 0 HA SER A 32 -2.194 1.870 12.899 1.00 1.00 H new ATOM 0 HB2 SER A 32 -4.732 0.855 13.000 1.00 1.00 H new ATOM 0 HB3 SER A 32 -3.852 -0.596 12.563 1.00 1.00 H new ATOM 0 HG SER A 32 -3.974 -0.301 14.861 1.00 1.00 H new ATOM 318 N LEU A 33 -2.185 -0.252 10.371 1.00 1.00 N ATOM 319 CA LEU A 33 -1.300 -1.130 9.606 1.00 1.00 C ATOM 320 C LEU A 33 0.021 -0.417 9.337 1.00 1.00 C ATOM 321 O LEU A 33 1.087 -1.033 9.341 1.00 1.00 O ATOM 322 CB LEU A 33 -1.943 -1.561 8.284 1.00 1.00 C ATOM 323 CG LEU A 33 -3.467 -1.711 8.308 1.00 1.00 C ATOM 324 CD1 LEU A 33 -3.964 -2.310 7.002 1.00 1.00 C ATOM 325 CD2 LEU A 33 -3.901 -2.569 9.488 1.00 1.00 C ATOM 0 H LEU A 33 -3.115 -0.126 9.971 1.00 1.00 H new ATOM 0 HA LEU A 33 -1.119 -2.029 10.196 1.00 1.00 H new ATOM 0 HB2 LEU A 33 -1.680 -0.832 7.518 1.00 1.00 H new ATOM 0 HB3 LEU A 33 -1.507 -2.513 7.982 1.00 1.00 H new ATOM 0 HG LEU A 33 -3.908 -0.721 8.423 1.00 1.00 H new ATOM 0 HD11 LEU A 33 -5.049 -2.409 7.037 1.00 1.00 H new ATOM 0 HD12 LEU A 33 -3.686 -1.658 6.174 1.00 1.00 H new ATOM 0 HD13 LEU A 33 -3.514 -3.292 6.858 1.00 1.00 H new ATOM 0 HD21 LEU A 33 -4.987 -2.664 9.489 1.00 1.00 H new ATOM 0 HD22 LEU A 33 -3.450 -3.558 9.404 1.00 1.00 H new ATOM 0 HD23 LEU A 33 -3.577 -2.100 10.417 1.00 1.00 H new ATOM 337 N LEU A 34 -0.063 0.895 9.136 1.00 1.00 N ATOM 338 CA LEU A 34 1.120 1.712 8.902 1.00 1.00 C ATOM 339 C LEU A 34 1.838 1.949 10.224 1.00 1.00 C ATOM 340 O LEU A 34 3.067 1.977 10.287 1.00 1.00 O ATOM 341 CB LEU A 34 0.736 3.054 8.266 1.00 1.00 C ATOM 342 CG LEU A 34 -0.280 2.967 7.127 1.00 1.00 C ATOM 343 CD1 LEU A 34 -0.669 4.358 6.652 1.00 1.00 C ATOM 344 CD2 LEU A 34 0.283 2.148 5.978 1.00 1.00 C ATOM 0 H LEU A 34 -0.941 1.415 9.131 1.00 1.00 H new ATOM 0 HA LEU A 34 1.782 1.186 8.214 1.00 1.00 H new ATOM 0 HB2 LEU A 34 0.333 3.704 9.043 1.00 1.00 H new ATOM 0 HB3 LEU A 34 1.641 3.531 7.889 1.00 1.00 H new ATOM 0 HG LEU A 34 -1.176 2.470 7.499 1.00 1.00 H new ATOM 0 HD11 LEU A 34 -1.393 4.276 5.841 1.00 1.00 H new ATOM 0 HD12 LEU A 34 -1.111 4.914 7.478 1.00 1.00 H new ATOM 0 HD13 LEU A 34 0.218 4.882 6.295 1.00 1.00 H new ATOM 0 HD21 LEU A 34 -0.452 2.095 5.175 1.00 1.00 H new ATOM 0 HD22 LEU A 34 1.193 2.619 5.607 1.00 1.00 H new ATOM 0 HD23 LEU A 34 0.512 1.141 6.327 1.00 1.00 H new ATOM 356 N LYS A 35 1.049 2.106 11.283 1.00 1.00 N ATOM 357 CA LYS A 35 1.582 2.330 12.620 1.00 1.00 C ATOM 358 C LYS A 35 2.551 1.217 13.008 1.00 1.00 C ATOM 359 O LYS A 35 3.528 1.449 13.721 1.00 1.00 O ATOM 360 CB LYS A 35 0.436 2.403 13.635 1.00 1.00 C ATOM 361 CG LYS A 35 -0.171 3.790 13.787 1.00 1.00 C ATOM 362 CD LYS A 35 -0.512 4.409 12.441 1.00 1.00 C ATOM 363 CE LYS A 35 -1.005 5.839 12.596 1.00 1.00 C ATOM 364 NZ LYS A 35 -2.337 5.898 13.258 1.00 1.00 N ATOM 0 H LYS A 35 0.030 2.082 11.238 1.00 1.00 H new ATOM 0 HA LYS A 35 2.124 3.276 12.621 1.00 1.00 H new ATOM 0 HB2 LYS A 35 -0.347 1.706 13.334 1.00 1.00 H new ATOM 0 HB3 LYS A 35 0.803 2.070 14.606 1.00 1.00 H new ATOM 0 HG2 LYS A 35 -1.072 3.727 14.397 1.00 1.00 H new ATOM 0 HG3 LYS A 35 0.528 4.436 14.317 1.00 1.00 H new ATOM 0 HD2 LYS A 35 0.368 4.394 11.799 1.00 1.00 H new ATOM 0 HD3 LYS A 35 -1.277 3.810 11.947 1.00 1.00 H new ATOM 0 HE2 LYS A 35 -0.284 6.410 13.180 1.00 1.00 H new ATOM 0 HE3 LYS A 35 -1.066 6.310 11.615 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 -2.865 6.721 12.904 1.00 1.00 H new ATOM 0 HZ2 LYS A 35 -2.868 5.029 13.047 1.00 1.00 H new ATOM 0 HZ3 LYS A 35 -2.210 5.985 14.287 1.00 1.00 H new ATOM 378 N SER A 36 2.274 0.009 12.529 1.00 1.00 N ATOM 379 CA SER A 36 3.119 -1.143 12.819 1.00 1.00 C ATOM 380 C SER A 36 4.144 -1.362 11.708 1.00 1.00 C ATOM 381 O SER A 36 5.177 -1.997 11.921 1.00 1.00 O ATOM 382 CB SER A 36 2.262 -2.398 12.997 1.00 1.00 C ATOM 383 OG SER A 36 2.530 -3.027 14.239 1.00 1.00 O ATOM 0 H SER A 36 1.469 -0.198 11.937 1.00 1.00 H new ATOM 0 HA SER A 36 3.656 -0.944 13.747 1.00 1.00 H new ATOM 0 HB2 SER A 36 1.206 -2.132 12.941 1.00 1.00 H new ATOM 0 HB3 SER A 36 2.459 -3.095 12.183 1.00 1.00 H new ATOM 0 HG SER A 36 1.969 -3.825 14.329 1.00 1.00 H new ATOM 389 N ALA A 37 3.854 -0.830 10.522 1.00 1.00 N ATOM 390 CA ALA A 37 4.754 -0.969 9.382 1.00 1.00 C ATOM 391 C ALA A 37 5.866 0.080 9.414 1.00 1.00 C ATOM 392 O ALA A 37 6.692 0.144 8.504 1.00 1.00 O ATOM 393 CB ALA A 37 3.972 -0.869 8.079 1.00 1.00 C ATOM 0 H ALA A 37 3.004 -0.300 10.327 1.00 1.00 H new ATOM 0 HA ALA A 37 5.222 -1.952 9.444 1.00 1.00 H new ATOM 0 HB1 ALA A 37 4.655 -0.974 7.236 1.00 1.00 H new ATOM 0 HB2 ALA A 37 3.224 -1.661 8.042 1.00 1.00 H new ATOM 0 HB3 ALA A 37 3.476 0.100 8.026 1.00 1.00 H new ATOM 399 N GLY A 38 5.882 0.902 10.462 1.00 1.00 N ATOM 400 CA GLY A 38 6.897 1.933 10.577 1.00 1.00 C ATOM 401 C GLY A 38 6.358 3.303 10.224 1.00 1.00 C ATOM 402 O GLY A 38 7.066 4.131 9.650 1.00 1.00 O ATOM 0 H GLY A 38 5.212 0.871 11.230 1.00 1.00 H new ATOM 0 HA2 GLY A 38 7.285 1.948 11.596 1.00 1.00 H new ATOM 0 HA3 GLY A 38 7.734 1.693 9.921 1.00 1.00 H new ATOM 406 N ALA A 39 5.096 3.536 10.565 1.00 1.00 N ATOM 407 CA ALA A 39 4.445 4.807 10.281 1.00 1.00 C ATOM 408 C ALA A 39 4.073 5.532 11.580 1.00 1.00 C ATOM 409 O ALA A 39 3.763 4.886 12.582 1.00 1.00 O ATOM 410 CB ALA A 39 3.207 4.573 9.430 1.00 1.00 C ATOM 0 H ALA A 39 4.502 2.857 11.041 1.00 1.00 H new ATOM 0 HA ALA A 39 5.141 5.440 9.730 1.00 1.00 H new ATOM 0 HB1 ALA A 39 2.724 5.527 9.221 1.00 1.00 H new ATOM 0 HB2 ALA A 39 3.495 4.098 8.492 1.00 1.00 H new ATOM 0 HB3 ALA A 39 2.514 3.925 9.967 1.00 1.00 H new ATOM 416 N GLN A 40 4.103 6.869 11.573 1.00 1.00 N ATOM 417 CA GLN A 40 3.766 7.639 12.766 1.00 1.00 C ATOM 418 C GLN A 40 2.571 8.555 12.513 1.00 1.00 C ATOM 419 O GLN A 40 1.502 8.369 13.093 1.00 1.00 O ATOM 420 CB GLN A 40 4.970 8.466 13.221 1.00 1.00 C ATOM 421 CG GLN A 40 5.142 8.507 14.731 1.00 1.00 C ATOM 422 CD GLN A 40 5.232 7.124 15.345 1.00 1.00 C ATOM 423 OE1 GLN A 40 4.217 6.513 15.678 1.00 1.00 O ATOM 424 NE2 GLN A 40 6.452 6.622 15.498 1.00 1.00 N ATOM 0 H GLN A 40 4.355 7.432 10.761 1.00 1.00 H new ATOM 0 HA GLN A 40 3.496 6.935 13.553 1.00 1.00 H new ATOM 0 HB2 GLN A 40 5.874 8.055 12.771 1.00 1.00 H new ATOM 0 HB3 GLN A 40 4.863 9.484 12.848 1.00 1.00 H new ATOM 0 HG2 GLN A 40 6.044 9.068 14.975 1.00 1.00 H new ATOM 0 HG3 GLN A 40 4.303 9.043 15.174 1.00 1.00 H new ATOM 0 HE21 GLN A 40 7.266 7.163 15.208 1.00 1.00 H new ATOM 0 HE22 GLN A 40 6.575 5.695 15.906 1.00 1.00 H new ATOM 433 N LYS A 41 2.761 9.549 11.649 1.00 1.00 N ATOM 434 CA LYS A 41 1.699 10.499 11.327 1.00 1.00 C ATOM 435 C LYS A 41 0.419 9.777 10.912 1.00 1.00 C ATOM 436 O LYS A 41 0.382 8.549 10.840 1.00 1.00 O ATOM 437 CB LYS A 41 2.147 11.448 10.213 1.00 1.00 C ATOM 438 CG LYS A 41 2.518 10.743 8.918 1.00 1.00 C ATOM 439 CD LYS A 41 3.992 10.376 8.884 1.00 1.00 C ATOM 440 CE LYS A 41 4.556 10.461 7.475 1.00 1.00 C ATOM 441 NZ LYS A 41 5.572 9.403 7.218 1.00 1.00 N ATOM 0 H LYS A 41 3.640 9.718 11.159 1.00 1.00 H new ATOM 0 HA LYS A 41 1.490 11.079 12.226 1.00 1.00 H new ATOM 0 HB2 LYS A 41 1.347 12.160 10.012 1.00 1.00 H new ATOM 0 HB3 LYS A 41 3.005 12.023 10.561 1.00 1.00 H new ATOM 0 HG2 LYS A 41 1.915 9.841 8.808 1.00 1.00 H new ATOM 0 HG3 LYS A 41 2.283 11.388 8.071 1.00 1.00 H new ATOM 0 HD2 LYS A 41 4.549 11.044 9.541 1.00 1.00 H new ATOM 0 HD3 LYS A 41 4.125 9.365 9.270 1.00 1.00 H new ATOM 0 HE2 LYS A 41 3.745 10.368 6.753 1.00 1.00 H new ATOM 0 HE3 LYS A 41 5.007 11.442 7.323 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 5.919 9.485 6.241 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 6.367 9.517 7.879 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 5.140 8.467 7.354 1.00 1.00 H new ATOM 455 N GLU A 42 -0.629 10.550 10.646 1.00 1.00 N ATOM 456 CA GLU A 42 -1.912 9.986 10.243 1.00 1.00 C ATOM 457 C GLU A 42 -2.050 9.960 8.724 1.00 1.00 C ATOM 458 O GLU A 42 -2.771 9.128 8.173 1.00 1.00 O ATOM 459 CB GLU A 42 -3.060 10.791 10.857 1.00 1.00 C ATOM 460 CG GLU A 42 -3.055 12.258 10.458 1.00 1.00 C ATOM 461 CD GLU A 42 -2.462 13.151 11.530 1.00 1.00 C ATOM 462 OE1 GLU A 42 -3.081 13.276 12.608 1.00 1.00 O ATOM 463 OE2 GLU A 42 -1.379 13.725 11.292 1.00 1.00 O ATOM 0 H GLU A 42 -0.615 11.568 10.702 1.00 1.00 H new ATOM 0 HA GLU A 42 -1.957 8.960 10.608 1.00 1.00 H new ATOM 0 HB2 GLU A 42 -4.008 10.344 10.556 1.00 1.00 H new ATOM 0 HB3 GLU A 42 -3.004 10.718 11.943 1.00 1.00 H new ATOM 0 HG2 GLU A 42 -2.487 12.378 9.535 1.00 1.00 H new ATOM 0 HG3 GLU A 42 -4.076 12.577 10.248 1.00 1.00 H new ATOM 470 N THR A 43 -1.356 10.872 8.050 1.00 1.00 N ATOM 471 CA THR A 43 -1.407 10.943 6.594 1.00 1.00 C ATOM 472 C THR A 43 -0.111 10.427 5.981 1.00 1.00 C ATOM 473 O THR A 43 0.942 10.454 6.617 1.00 1.00 O ATOM 474 CB THR A 43 -1.663 12.380 6.133 1.00 1.00 C ATOM 475 OG1 THR A 43 -2.119 13.181 7.209 1.00 1.00 O ATOM 476 CG2 THR A 43 -2.684 12.478 5.021 1.00 1.00 C ATOM 0 H THR A 43 -0.754 11.570 8.487 1.00 1.00 H new ATOM 0 HA THR A 43 -2.229 10.312 6.257 1.00 1.00 H new ATOM 0 HB THR A 43 -0.704 12.737 5.757 1.00 1.00 H new ATOM 0 HG1 THR A 43 -2.275 14.095 6.893 1.00 1.00 H new ATOM 0 HG21 THR A 43 -2.818 13.523 4.742 1.00 1.00 H new ATOM 0 HG22 THR A 43 -2.336 11.913 4.156 1.00 1.00 H new ATOM 0 HG23 THR A 43 -3.635 12.069 5.363 1.00 1.00 H new ATOM 484 N PHE A 44 -0.196 9.955 4.744 1.00 1.00 N ATOM 485 CA PHE A 44 0.971 9.430 4.048 1.00 1.00 C ATOM 486 C PHE A 44 0.786 9.502 2.538 1.00 1.00 C ATOM 487 O PHE A 44 -0.321 9.329 2.030 1.00 1.00 O ATOM 488 CB PHE A 44 1.226 7.979 4.455 1.00 1.00 C ATOM 489 CG PHE A 44 1.385 7.777 5.933 1.00 1.00 C ATOM 490 CD1 PHE A 44 0.276 7.587 6.742 1.00 1.00 C ATOM 491 CD2 PHE A 44 2.643 7.765 6.511 1.00 1.00 C ATOM 492 CE1 PHE A 44 0.420 7.389 8.101 1.00 1.00 C ATOM 493 CE2 PHE A 44 2.792 7.570 7.871 1.00 1.00 C ATOM 494 CZ PHE A 44 1.679 7.381 8.666 1.00 1.00 C ATOM 0 H PHE A 44 -1.060 9.925 4.203 1.00 1.00 H new ATOM 0 HA PHE A 44 1.827 10.044 4.328 1.00 1.00 H new ATOM 0 HB2 PHE A 44 0.399 7.363 4.102 1.00 1.00 H new ATOM 0 HB3 PHE A 44 2.125 7.624 3.952 1.00 1.00 H new ATOM 0 HD1 PHE A 44 -0.712 7.594 6.305 1.00 1.00 H new ATOM 0 HD2 PHE A 44 3.517 7.909 5.893 1.00 1.00 H new ATOM 0 HE1 PHE A 44 -0.452 7.241 8.721 1.00 1.00 H new ATOM 0 HE2 PHE A 44 3.778 7.565 8.312 1.00 1.00 H new ATOM 0 HZ PHE A 44 1.794 7.227 9.729 1.00 1.00 H new ATOM 504 N THR A 45 1.879 9.741 1.824 1.00 1.00 N ATOM 505 CA THR A 45 1.836 9.813 0.371 1.00 1.00 C ATOM 506 C THR A 45 1.781 8.409 -0.217 1.00 1.00 C ATOM 507 O THR A 45 2.259 7.454 0.395 1.00 1.00 O ATOM 508 CB THR A 45 3.057 10.560 -0.167 1.00 1.00 C ATOM 509 OG1 THR A 45 4.251 10.032 0.382 1.00 1.00 O ATOM 510 CG2 THR A 45 3.031 12.043 0.132 1.00 1.00 C ATOM 0 H THR A 45 2.804 9.888 2.228 1.00 1.00 H new ATOM 0 HA THR A 45 0.940 10.359 0.076 1.00 1.00 H new ATOM 0 HB THR A 45 3.025 10.423 -1.248 1.00 1.00 H new ATOM 0 HG1 THR A 45 5.020 10.522 0.024 1.00 1.00 H new ATOM 0 HG21 THR A 45 3.926 12.512 -0.277 1.00 1.00 H new ATOM 0 HG22 THR A 45 2.147 12.490 -0.322 1.00 1.00 H new ATOM 0 HG23 THR A 45 3.002 12.196 1.211 1.00 1.00 H new ATOM 518 N MET A 46 1.187 8.285 -1.400 1.00 1.00 N ATOM 519 CA MET A 46 1.063 6.992 -2.060 1.00 1.00 C ATOM 520 C MET A 46 2.375 6.213 -2.018 1.00 1.00 C ATOM 521 O MET A 46 2.375 4.983 -2.005 1.00 1.00 O ATOM 522 CB MET A 46 0.604 7.177 -3.504 1.00 1.00 C ATOM 523 CG MET A 46 -0.507 6.225 -3.896 1.00 1.00 C ATOM 524 SD MET A 46 -2.147 6.892 -3.566 1.00 1.00 S ATOM 525 CE MET A 46 -2.744 5.707 -2.363 1.00 1.00 C ATOM 0 H MET A 46 0.784 9.065 -1.920 1.00 1.00 H new ATOM 0 HA MET A 46 0.315 6.413 -1.519 1.00 1.00 H new ATOM 0 HB2 MET A 46 0.262 8.203 -3.643 1.00 1.00 H new ATOM 0 HB3 MET A 46 1.453 7.031 -4.171 1.00 1.00 H new ATOM 0 HG2 MET A 46 -0.422 5.992 -4.957 1.00 1.00 H new ATOM 0 HG3 MET A 46 -0.385 5.288 -3.353 1.00 1.00 H new ATOM 0 HE1 MET A 46 -3.580 5.149 -2.786 1.00 1.00 H new ATOM 0 HE2 MET A 46 -1.941 5.017 -2.103 1.00 1.00 H new ATOM 0 HE3 MET A 46 -3.075 6.233 -1.467 1.00 1.00 H new ATOM 535 N LYS A 47 3.490 6.933 -1.988 1.00 1.00 N ATOM 536 CA LYS A 47 4.800 6.297 -1.937 1.00 1.00 C ATOM 537 C LYS A 47 5.039 5.677 -0.564 1.00 1.00 C ATOM 538 O LYS A 47 5.449 4.522 -0.458 1.00 1.00 O ATOM 539 CB LYS A 47 5.900 7.312 -2.256 1.00 1.00 C ATOM 540 CG LYS A 47 7.006 6.756 -3.139 1.00 1.00 C ATOM 541 CD LYS A 47 6.494 6.410 -4.529 1.00 1.00 C ATOM 542 CE LYS A 47 6.179 7.660 -5.335 1.00 1.00 C ATOM 543 NZ LYS A 47 5.254 7.372 -6.466 1.00 1.00 N ATOM 0 H LYS A 47 3.513 7.953 -1.998 1.00 1.00 H new ATOM 0 HA LYS A 47 4.827 5.506 -2.686 1.00 1.00 H new ATOM 0 HB2 LYS A 47 5.454 8.176 -2.748 1.00 1.00 H new ATOM 0 HB3 LYS A 47 6.336 7.667 -1.322 1.00 1.00 H new ATOM 0 HG2 LYS A 47 7.810 7.487 -3.219 1.00 1.00 H new ATOM 0 HG3 LYS A 47 7.430 5.865 -2.675 1.00 1.00 H new ATOM 0 HD2 LYS A 47 7.241 5.815 -5.055 1.00 1.00 H new ATOM 0 HD3 LYS A 47 5.598 5.795 -4.445 1.00 1.00 H new ATOM 0 HE2 LYS A 47 5.732 8.410 -4.682 1.00 1.00 H new ATOM 0 HE3 LYS A 47 7.105 8.085 -5.722 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 5.064 8.249 -6.991 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 5.691 6.675 -7.103 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 4.361 6.990 -6.095 1.00 1.00 H new ATOM 557 N GLU A 48 4.772 6.450 0.485 1.00 1.00 N ATOM 558 CA GLU A 48 4.950 5.969 1.850 1.00 1.00 C ATOM 559 C GLU A 48 3.913 4.901 2.180 1.00 1.00 C ATOM 560 O GLU A 48 4.247 3.838 2.700 1.00 1.00 O ATOM 561 CB GLU A 48 4.844 7.124 2.846 1.00 1.00 C ATOM 562 CG GLU A 48 5.602 8.371 2.418 1.00 1.00 C ATOM 563 CD GLU A 48 6.701 8.750 3.391 1.00 1.00 C ATOM 564 OE1 GLU A 48 6.381 9.050 4.561 1.00 1.00 O ATOM 565 OE2 GLU A 48 7.882 8.746 2.984 1.00 1.00 O ATOM 0 H GLU A 48 4.433 7.409 0.416 1.00 1.00 H new ATOM 0 HA GLU A 48 5.945 5.530 1.928 1.00 1.00 H new ATOM 0 HB2 GLU A 48 3.793 7.378 2.984 1.00 1.00 H new ATOM 0 HB3 GLU A 48 5.222 6.794 3.814 1.00 1.00 H new ATOM 0 HG2 GLU A 48 6.036 8.207 1.432 1.00 1.00 H new ATOM 0 HG3 GLU A 48 4.903 9.202 2.324 1.00 1.00 H new ATOM 572 N VAL A 49 2.653 5.189 1.863 1.00 1.00 N ATOM 573 CA VAL A 49 1.567 4.248 2.119 1.00 1.00 C ATOM 574 C VAL A 49 1.875 2.891 1.499 1.00 1.00 C ATOM 575 O VAL A 49 2.030 1.893 2.203 1.00 1.00 O ATOM 576 CB VAL A 49 0.227 4.759 1.554 1.00 1.00 C ATOM 577 CG1 VAL A 49 -0.921 3.878 2.024 1.00 1.00 C ATOM 578 CG2 VAL A 49 -0.009 6.210 1.948 1.00 1.00 C ATOM 0 H VAL A 49 2.360 6.064 1.429 1.00 1.00 H new ATOM 0 HA VAL A 49 1.479 4.151 3.201 1.00 1.00 H new ATOM 0 HB VAL A 49 0.274 4.709 0.466 1.00 1.00 H new ATOM 0 HG11 VAL A 49 -1.859 4.254 1.615 1.00 1.00 H new ATOM 0 HG12 VAL A 49 -0.759 2.856 1.681 1.00 1.00 H new ATOM 0 HG13 VAL A 49 -0.968 3.892 3.113 1.00 1.00 H new ATOM 0 HG21 VAL A 49 -0.961 6.548 1.538 1.00 1.00 H new ATOM 0 HG22 VAL A 49 -0.032 6.293 3.035 1.00 1.00 H new ATOM 0 HG23 VAL A 49 0.797 6.830 1.554 1.00 1.00 H new ATOM 588 N LEU A 50 1.969 2.868 0.174 1.00 1.00 N ATOM 589 CA LEU A 50 2.267 1.640 -0.553 1.00 1.00 C ATOM 590 C LEU A 50 3.562 1.005 -0.049 1.00 1.00 C ATOM 591 O LEU A 50 3.762 -0.203 -0.175 1.00 1.00 O ATOM 592 CB LEU A 50 2.375 1.933 -2.051 1.00 1.00 C ATOM 593 CG LEU A 50 1.793 0.854 -2.963 1.00 1.00 C ATOM 594 CD1 LEU A 50 1.869 1.288 -4.419 1.00 1.00 C ATOM 595 CD2 LEU A 50 2.518 -0.467 -2.761 1.00 1.00 C ATOM 0 H LEU A 50 1.843 3.688 -0.419 1.00 1.00 H new ATOM 0 HA LEU A 50 1.453 0.935 -0.382 1.00 1.00 H new ATOM 0 HB2 LEU A 50 1.869 2.876 -2.259 1.00 1.00 H new ATOM 0 HB3 LEU A 50 3.426 2.073 -2.304 1.00 1.00 H new ATOM 0 HG LEU A 50 0.745 0.712 -2.700 1.00 1.00 H new ATOM 0 HD11 LEU A 50 1.450 0.507 -5.054 1.00 1.00 H new ATOM 0 HD12 LEU A 50 1.302 2.209 -4.554 1.00 1.00 H new ATOM 0 HD13 LEU A 50 2.910 1.459 -4.694 1.00 1.00 H new ATOM 0 HD21 LEU A 50 2.089 -1.222 -3.419 1.00 1.00 H new ATOM 0 HD22 LEU A 50 3.575 -0.341 -2.994 1.00 1.00 H new ATOM 0 HD23 LEU A 50 2.411 -0.786 -1.724 1.00 1.00 H new ATOM 607 N TYR A 51 4.439 1.828 0.521 1.00 1.00 N ATOM 608 CA TYR A 51 5.714 1.343 1.040 1.00 1.00 C ATOM 609 C TYR A 51 5.522 0.562 2.338 1.00 1.00 C ATOM 610 O TYR A 51 5.914 -0.603 2.434 1.00 1.00 O ATOM 611 CB TYR A 51 6.680 2.510 1.265 1.00 1.00 C ATOM 612 CG TYR A 51 8.026 2.087 1.811 1.00 1.00 C ATOM 613 CD1 TYR A 51 8.238 1.975 3.179 1.00 1.00 C ATOM 614 CD2 TYR A 51 9.083 1.800 0.956 1.00 1.00 C ATOM 615 CE1 TYR A 51 9.467 1.589 3.680 1.00 1.00 C ATOM 616 CE2 TYR A 51 10.314 1.413 1.451 1.00 1.00 C ATOM 617 CZ TYR A 51 10.501 1.309 2.813 1.00 1.00 C ATOM 618 OH TYR A 51 11.725 0.923 3.308 1.00 1.00 O ATOM 0 H TYR A 51 4.290 2.831 0.635 1.00 1.00 H new ATOM 0 HA TYR A 51 6.141 0.668 0.298 1.00 1.00 H new ATOM 0 HB2 TYR A 51 6.829 3.034 0.321 1.00 1.00 H new ATOM 0 HB3 TYR A 51 6.224 3.220 1.955 1.00 1.00 H new ATOM 0 HD1 TYR A 51 7.430 2.193 3.862 1.00 1.00 H new ATOM 0 HD2 TYR A 51 8.940 1.881 -0.112 1.00 1.00 H new ATOM 0 HE1 TYR A 51 9.616 1.507 4.746 1.00 1.00 H new ATOM 0 HE2 TYR A 51 11.126 1.193 0.774 1.00 1.00 H new ATOM 0 HH TYR A 51 12.343 0.763 2.564 1.00 1.00 H new ATOM 628 N HIS A 52 4.915 1.200 3.340 1.00 1.00 N ATOM 629 CA HIS A 52 4.684 0.536 4.620 1.00 1.00 C ATOM 630 C HIS A 52 3.969 -0.792 4.405 1.00 1.00 C ATOM 631 O HIS A 52 4.347 -1.808 4.983 1.00 1.00 O ATOM 632 CB HIS A 52 3.871 1.418 5.574 1.00 1.00 C ATOM 633 CG HIS A 52 4.213 2.876 5.504 1.00 1.00 C ATOM 634 ND1 HIS A 52 5.491 3.359 5.693 1.00 1.00 N ATOM 635 CD2 HIS A 52 3.433 3.960 5.275 1.00 1.00 C ATOM 636 CE1 HIS A 52 5.482 4.676 5.587 1.00 1.00 C ATOM 637 NE2 HIS A 52 4.247 5.064 5.332 1.00 1.00 N ATOM 0 H HIS A 52 4.579 2.162 3.291 1.00 1.00 H new ATOM 0 HA HIS A 52 5.657 0.353 5.077 1.00 1.00 H new ATOM 0 HB2 HIS A 52 2.811 1.294 5.352 1.00 1.00 H new ATOM 0 HB3 HIS A 52 4.026 1.069 6.595 1.00 1.00 H new ATOM 0 HD2 HIS A 52 2.370 3.956 5.084 1.00 1.00 H new ATOM 0 HE1 HIS A 52 6.339 5.324 5.691 1.00 1.00 H new ATOM 0 HE2 HIS A 52 3.945 6.029 5.199 1.00 1.00 H new ATOM 646 N LEU A 53 2.938 -0.779 3.559 1.00 1.00 N ATOM 647 CA LEU A 53 2.180 -1.976 3.256 1.00 1.00 C ATOM 648 C LEU A 53 3.108 -3.146 2.946 1.00 1.00 C ATOM 649 O LEU A 53 2.938 -4.242 3.480 1.00 1.00 O ATOM 650 CB LEU A 53 1.247 -1.703 2.081 1.00 1.00 C ATOM 651 CG LEU A 53 -0.224 -1.953 2.377 1.00 1.00 C ATOM 652 CD1 LEU A 53 -0.650 -1.237 3.650 1.00 1.00 C ATOM 653 CD2 LEU A 53 -1.090 -1.529 1.200 1.00 1.00 C ATOM 0 H LEU A 53 2.614 0.057 3.073 1.00 1.00 H new ATOM 0 HA LEU A 53 1.587 -2.248 4.129 1.00 1.00 H new ATOM 0 HB2 LEU A 53 1.371 -0.667 1.767 1.00 1.00 H new ATOM 0 HB3 LEU A 53 1.548 -2.329 1.241 1.00 1.00 H new ATOM 0 HG LEU A 53 -0.362 -3.023 2.531 1.00 1.00 H new ATOM 0 HD11 LEU A 53 -1.706 -1.431 3.841 1.00 1.00 H new ATOM 0 HD12 LEU A 53 -0.057 -1.602 4.489 1.00 1.00 H new ATOM 0 HD13 LEU A 53 -0.493 -0.165 3.534 1.00 1.00 H new ATOM 0 HD21 LEU A 53 -2.138 -1.717 1.433 1.00 1.00 H new ATOM 0 HD22 LEU A 53 -0.946 -0.466 1.007 1.00 1.00 H new ATOM 0 HD23 LEU A 53 -0.807 -2.100 0.316 1.00 1.00 H new ATOM 665 N GLY A 54 4.102 -2.901 2.096 1.00 1.00 N ATOM 666 CA GLY A 54 5.050 -3.945 1.757 1.00 1.00 C ATOM 667 C GLY A 54 5.715 -4.503 2.996 1.00 1.00 C ATOM 668 O GLY A 54 6.006 -5.697 3.077 1.00 1.00 O ATOM 0 H GLY A 54 4.266 -2.004 1.639 1.00 1.00 H new ATOM 0 HA2 GLY A 54 4.538 -4.746 1.224 1.00 1.00 H new ATOM 0 HA3 GLY A 54 5.808 -3.547 1.082 1.00 1.00 H new ATOM 672 N GLN A 55 5.936 -3.629 3.973 1.00 1.00 N ATOM 673 CA GLN A 55 6.550 -4.025 5.233 1.00 1.00 C ATOM 674 C GLN A 55 5.495 -4.588 6.182 1.00 1.00 C ATOM 675 O GLN A 55 5.785 -5.451 7.010 1.00 1.00 O ATOM 676 CB GLN A 55 7.253 -2.831 5.880 1.00 1.00 C ATOM 677 CG GLN A 55 8.369 -2.249 5.029 1.00 1.00 C ATOM 678 CD GLN A 55 9.134 -1.150 5.740 1.00 1.00 C ATOM 679 OE1 GLN A 55 8.447 -0.055 6.047 1.00 1.00 O flip ATOM 680 NE2 GLN A 55 10.327 -1.283 6.012 1.00 1.00 N flip ATOM 0 H GLN A 55 5.698 -2.639 3.915 1.00 1.00 H new ATOM 0 HA GLN A 55 7.289 -4.800 5.030 1.00 1.00 H new ATOM 0 HB2 GLN A 55 6.517 -2.052 6.082 1.00 1.00 H new ATOM 0 HB3 GLN A 55 7.663 -3.139 6.842 1.00 1.00 H new ATOM 0 HG2 GLN A 55 9.060 -3.044 4.749 1.00 1.00 H new ATOM 0 HG3 GLN A 55 7.947 -1.853 4.105 1.00 1.00 H new ATOM 0 HE21 GLN A 55 10.816 -2.141 5.757 1.00 1.00 H new ATOM 0 HE22 GLN A 55 10.827 -0.535 6.492 1.00 1.00 H new ATOM 689 N TYR A 56 4.267 -4.092 6.046 1.00 1.00 N ATOM 690 CA TYR A 56 3.156 -4.538 6.878 1.00 1.00 C ATOM 691 C TYR A 56 2.895 -6.028 6.670 1.00 1.00 C ATOM 692 O TYR A 56 2.557 -6.748 7.609 1.00 1.00 O ATOM 693 CB TYR A 56 1.895 -3.728 6.546 1.00 1.00 C ATOM 694 CG TYR A 56 0.633 -4.260 7.191 1.00 1.00 C ATOM 695 CD1 TYR A 56 0.360 -4.023 8.531 1.00 1.00 C ATOM 696 CD2 TYR A 56 -0.276 -5.013 6.459 1.00 1.00 C ATOM 697 CE1 TYR A 56 -0.782 -4.523 9.127 1.00 1.00 C ATOM 698 CE2 TYR A 56 -1.423 -5.513 7.045 1.00 1.00 C ATOM 699 CZ TYR A 56 -1.671 -5.267 8.380 1.00 1.00 C ATOM 700 OH TYR A 56 -2.809 -5.767 8.968 1.00 1.00 O ATOM 0 H TYR A 56 4.017 -3.377 5.363 1.00 1.00 H new ATOM 0 HA TYR A 56 3.417 -4.377 7.924 1.00 1.00 H new ATOM 0 HB2 TYR A 56 2.045 -2.696 6.863 1.00 1.00 H new ATOM 0 HB3 TYR A 56 1.759 -3.713 5.465 1.00 1.00 H new ATOM 0 HD1 TYR A 56 1.052 -3.438 9.118 1.00 1.00 H new ATOM 0 HD2 TYR A 56 -0.083 -5.211 5.415 1.00 1.00 H new ATOM 0 HE1 TYR A 56 -0.977 -4.332 10.172 1.00 1.00 H new ATOM 0 HE2 TYR A 56 -2.122 -6.093 6.461 1.00 1.00 H new ATOM 0 HH TYR A 56 -3.328 -6.267 8.304 1.00 1.00 H new ATOM 710 N ILE A 57 3.052 -6.482 5.432 1.00 1.00 N ATOM 711 CA ILE A 57 2.831 -7.883 5.097 1.00 1.00 C ATOM 712 C ILE A 57 4.005 -8.751 5.541 1.00 1.00 C ATOM 713 O ILE A 57 3.830 -9.705 6.299 1.00 1.00 O ATOM 714 CB ILE A 57 2.612 -8.064 3.583 1.00 1.00 C ATOM 715 CG1 ILE A 57 1.492 -7.142 3.097 1.00 1.00 C ATOM 716 CG2 ILE A 57 2.291 -9.516 3.255 1.00 1.00 C ATOM 717 CD1 ILE A 57 1.284 -7.181 1.600 1.00 1.00 C ATOM 0 H ILE A 57 3.332 -5.899 4.643 1.00 1.00 H new ATOM 0 HA ILE A 57 1.934 -8.200 5.629 1.00 1.00 H new ATOM 0 HB ILE A 57 3.533 -7.796 3.066 1.00 1.00 H new ATOM 0 HG12 ILE A 57 0.562 -7.421 3.592 1.00 1.00 H new ATOM 0 HG13 ILE A 57 1.718 -6.119 3.398 1.00 1.00 H new ATOM 0 HG21 ILE A 57 2.140 -9.622 2.181 1.00 1.00 H new ATOM 0 HG22 ILE A 57 3.119 -10.152 3.569 1.00 1.00 H new ATOM 0 HG23 ILE A 57 1.384 -9.816 3.780 1.00 1.00 H new ATOM 0 HD11 ILE A 57 0.475 -6.503 1.327 1.00 1.00 H new ATOM 0 HD12 ILE A 57 2.201 -6.873 1.097 1.00 1.00 H new ATOM 0 HD13 ILE A 57 1.026 -8.195 1.295 1.00 1.00 H new ATOM 729 N MET A 58 5.199 -8.418 5.062 1.00 1.00 N ATOM 730 CA MET A 58 6.397 -9.174 5.409 1.00 1.00 C ATOM 731 C MET A 58 6.619 -9.191 6.920 1.00 1.00 C ATOM 732 O MET A 58 7.178 -10.144 7.462 1.00 1.00 O ATOM 733 CB MET A 58 7.622 -8.587 4.704 1.00 1.00 C ATOM 734 CG MET A 58 7.996 -7.195 5.188 1.00 1.00 C ATOM 735 SD MET A 58 9.675 -7.109 5.841 1.00 1.00 S ATOM 736 CE MET A 58 9.458 -5.937 7.178 1.00 1.00 C ATOM 0 H MET A 58 5.363 -7.631 4.434 1.00 1.00 H new ATOM 0 HA MET A 58 6.254 -10.201 5.074 1.00 1.00 H new ATOM 0 HB2 MET A 58 8.471 -9.254 4.853 1.00 1.00 H new ATOM 0 HB3 MET A 58 7.430 -8.550 3.632 1.00 1.00 H new ATOM 0 HG2 MET A 58 7.895 -6.489 4.363 1.00 1.00 H new ATOM 0 HG3 MET A 58 7.294 -6.884 5.961 1.00 1.00 H new ATOM 0 HE1 MET A 58 10.378 -5.369 7.317 1.00 1.00 H new ATOM 0 HE2 MET A 58 8.643 -5.255 6.935 1.00 1.00 H new ATOM 0 HE3 MET A 58 9.221 -6.473 8.097 1.00 1.00 H new ATOM 746 N ALA A 59 6.175 -8.135 7.596 1.00 1.00 N ATOM 747 CA ALA A 59 6.327 -8.042 9.043 1.00 1.00 C ATOM 748 C ALA A 59 5.330 -8.952 9.751 1.00 1.00 C ATOM 749 O ALA A 59 5.718 -9.850 10.499 1.00 1.00 O ATOM 750 CB ALA A 59 6.152 -6.603 9.503 1.00 1.00 C ATOM 0 H ALA A 59 5.709 -7.336 7.167 1.00 1.00 H new ATOM 0 HA ALA A 59 7.333 -8.371 9.303 1.00 1.00 H new ATOM 0 HB1 ALA A 59 6.268 -6.550 10.585 1.00 1.00 H new ATOM 0 HB2 ALA A 59 6.904 -5.975 9.026 1.00 1.00 H new ATOM 0 HB3 ALA A 59 5.158 -6.251 9.227 1.00 1.00 H new ATOM 756 N LYS A 60 4.044 -8.724 9.501 1.00 1.00 N ATOM 757 CA LYS A 60 2.995 -9.531 10.104 1.00 1.00 C ATOM 758 C LYS A 60 3.083 -10.978 9.621 1.00 1.00 C ATOM 759 O LYS A 60 2.573 -11.892 10.268 1.00 1.00 O ATOM 760 CB LYS A 60 1.626 -8.946 9.757 1.00 1.00 C ATOM 761 CG LYS A 60 1.072 -7.988 10.802 1.00 1.00 C ATOM 762 CD LYS A 60 2.093 -6.947 11.240 1.00 1.00 C ATOM 763 CE LYS A 60 1.936 -5.653 10.461 1.00 1.00 C ATOM 764 NZ LYS A 60 3.167 -4.817 10.514 1.00 1.00 N ATOM 0 H LYS A 60 3.706 -7.986 8.884 1.00 1.00 H new ATOM 0 HA LYS A 60 3.127 -9.520 11.186 1.00 1.00 H new ATOM 0 HB2 LYS A 60 1.698 -8.423 8.803 1.00 1.00 H new ATOM 0 HB3 LYS A 60 0.919 -9.764 9.619 1.00 1.00 H new ATOM 0 HG2 LYS A 60 0.194 -7.483 10.398 1.00 1.00 H new ATOM 0 HG3 LYS A 60 0.741 -8.556 11.672 1.00 1.00 H new ATOM 0 HD2 LYS A 60 1.977 -6.748 12.305 1.00 1.00 H new ATOM 0 HD3 LYS A 60 3.100 -7.340 11.096 1.00 1.00 H new ATOM 0 HE2 LYS A 60 1.698 -5.882 9.422 1.00 1.00 H new ATOM 0 HE3 LYS A 60 1.096 -5.087 10.864 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 2.920 -3.824 10.329 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 3.600 -4.897 11.456 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 3.841 -5.146 9.794 1.00 1.00 H new ATOM 778 N GLN A 61 3.737 -11.177 8.476 1.00 1.00 N ATOM 779 CA GLN A 61 3.898 -12.508 7.898 1.00 1.00 C ATOM 780 C GLN A 61 2.578 -13.021 7.330 1.00 1.00 C ATOM 781 O GLN A 61 2.065 -14.056 7.756 1.00 1.00 O ATOM 782 CB GLN A 61 4.440 -13.486 8.944 1.00 1.00 C ATOM 783 CG GLN A 61 5.069 -14.732 8.343 1.00 1.00 C ATOM 784 CD GLN A 61 6.408 -15.070 8.969 1.00 1.00 C ATOM 785 OE1 GLN A 61 6.658 -16.214 9.348 1.00 1.00 O ATOM 786 NE2 GLN A 61 7.278 -14.073 9.081 1.00 1.00 N ATOM 0 H GLN A 61 4.165 -10.429 7.930 1.00 1.00 H new ATOM 0 HA GLN A 61 4.616 -12.435 7.081 1.00 1.00 H new ATOM 0 HB2 GLN A 61 5.182 -12.975 9.558 1.00 1.00 H new ATOM 0 HB3 GLN A 61 3.628 -13.783 9.607 1.00 1.00 H new ATOM 0 HG2 GLN A 61 4.390 -15.575 8.470 1.00 1.00 H new ATOM 0 HG3 GLN A 61 5.200 -14.587 7.271 1.00 1.00 H new ATOM 0 HE21 GLN A 61 7.029 -13.140 8.753 1.00 1.00 H new ATOM 0 HE22 GLN A 61 8.195 -14.241 9.495 1.00 1.00 H new ATOM 795 N LEU A 62 2.035 -12.289 6.362 1.00 1.00 N ATOM 796 CA LEU A 62 0.776 -12.666 5.729 1.00 1.00 C ATOM 797 C LEU A 62 1.013 -13.355 4.385 1.00 1.00 C ATOM 798 O LEU A 62 0.072 -13.833 3.752 1.00 1.00 O ATOM 799 CB LEU A 62 -0.106 -11.432 5.530 1.00 1.00 C ATOM 800 CG LEU A 62 -0.218 -10.514 6.748 1.00 1.00 C ATOM 801 CD1 LEU A 62 -1.221 -9.401 6.486 1.00 1.00 C ATOM 802 CD2 LEU A 62 -0.612 -11.313 7.984 1.00 1.00 C ATOM 0 H LEU A 62 2.448 -11.430 5.999 1.00 1.00 H new ATOM 0 HA LEU A 62 0.270 -13.371 6.389 1.00 1.00 H new ATOM 0 HB2 LEU A 62 0.287 -10.854 4.693 1.00 1.00 H new ATOM 0 HB3 LEU A 62 -1.106 -11.761 5.248 1.00 1.00 H new ATOM 0 HG LEU A 62 0.757 -10.061 6.930 1.00 1.00 H new ATOM 0 HD11 LEU A 62 -1.288 -8.758 7.363 1.00 1.00 H new ATOM 0 HD12 LEU A 62 -0.896 -8.812 5.628 1.00 1.00 H new ATOM 0 HD13 LEU A 62 -2.199 -9.834 6.279 1.00 1.00 H new ATOM 0 HD21 LEU A 62 -0.687 -10.644 8.841 1.00 1.00 H new ATOM 0 HD22 LEU A 62 -1.575 -11.795 7.814 1.00 1.00 H new ATOM 0 HD23 LEU A 62 0.144 -12.073 8.182 1.00 1.00 H new ATOM 814 N TYR A 63 2.271 -13.403 3.952 1.00 1.00 N ATOM 815 CA TYR A 63 2.617 -14.034 2.684 1.00 1.00 C ATOM 816 C TYR A 63 2.681 -15.551 2.833 1.00 1.00 C ATOM 817 O TYR A 63 2.811 -16.070 3.941 1.00 1.00 O ATOM 818 CB TYR A 63 3.957 -13.500 2.175 1.00 1.00 C ATOM 819 CG TYR A 63 5.111 -13.775 3.113 1.00 1.00 C ATOM 820 CD1 TYR A 63 5.686 -15.037 3.187 1.00 1.00 C ATOM 821 CD2 TYR A 63 5.622 -12.772 3.927 1.00 1.00 C ATOM 822 CE1 TYR A 63 6.737 -15.293 4.046 1.00 1.00 C ATOM 823 CE2 TYR A 63 6.674 -13.019 4.789 1.00 1.00 C ATOM 824 CZ TYR A 63 7.227 -14.281 4.845 1.00 1.00 C ATOM 825 OH TYR A 63 8.275 -14.531 5.701 1.00 1.00 O ATOM 0 H TYR A 63 3.065 -13.013 4.460 1.00 1.00 H new ATOM 0 HA TYR A 63 1.840 -13.791 1.959 1.00 1.00 H new ATOM 0 HB2 TYR A 63 4.173 -13.948 1.205 1.00 1.00 H new ATOM 0 HB3 TYR A 63 3.875 -12.424 2.018 1.00 1.00 H new ATOM 0 HD1 TYR A 63 5.305 -15.832 2.562 1.00 1.00 H new ATOM 0 HD2 TYR A 63 5.190 -11.783 3.886 1.00 1.00 H new ATOM 0 HE1 TYR A 63 7.173 -16.280 4.092 1.00 1.00 H new ATOM 0 HE2 TYR A 63 7.061 -12.228 5.415 1.00 1.00 H new ATOM 0 HH TYR A 63 8.500 -13.712 6.191 1.00 1.00 H new ATOM 835 N ASP A 64 2.585 -16.256 1.710 1.00 1.00 N ATOM 836 CA ASP A 64 2.629 -17.714 1.717 1.00 1.00 C ATOM 837 C ASP A 64 4.065 -18.220 1.613 1.00 1.00 C ATOM 838 O ASP A 64 4.890 -17.636 0.910 1.00 1.00 O ATOM 839 CB ASP A 64 1.795 -18.275 0.564 1.00 1.00 C ATOM 840 CG ASP A 64 1.741 -19.790 0.571 1.00 1.00 C ATOM 841 OD1 ASP A 64 2.073 -20.392 1.614 1.00 1.00 O ATOM 842 OD2 ASP A 64 1.366 -20.375 -0.467 1.00 1.00 O ATOM 0 H ASP A 64 2.476 -15.842 0.784 1.00 1.00 H new ATOM 0 HA ASP A 64 2.211 -18.059 2.663 1.00 1.00 H new ATOM 0 HB2 ASP A 64 0.782 -17.878 0.626 1.00 1.00 H new ATOM 0 HB3 ASP A 64 2.214 -17.934 -0.383 1.00 1.00 H new ATOM 847 N GLU A 65 4.354 -19.311 2.316 1.00 1.00 N ATOM 848 CA GLU A 65 5.689 -19.898 2.301 1.00 1.00 C ATOM 849 C GLU A 65 6.049 -20.383 0.902 1.00 1.00 C ATOM 850 O GLU A 65 7.094 -20.024 0.360 1.00 1.00 O ATOM 851 CB GLU A 65 5.771 -21.058 3.295 1.00 1.00 C ATOM 852 CG GLU A 65 6.135 -20.624 4.706 1.00 1.00 C ATOM 853 CD GLU A 65 6.978 -21.654 5.432 1.00 1.00 C ATOM 854 OE1 GLU A 65 7.774 -22.347 4.764 1.00 1.00 O ATOM 855 OE2 GLU A 65 6.843 -21.767 6.668 1.00 1.00 O ATOM 0 H GLU A 65 3.682 -19.806 2.903 1.00 1.00 H new ATOM 0 HA GLU A 65 6.403 -19.129 2.596 1.00 1.00 H new ATOM 0 HB2 GLU A 65 4.811 -21.574 3.319 1.00 1.00 H new ATOM 0 HB3 GLU A 65 6.511 -21.777 2.942 1.00 1.00 H new ATOM 0 HG2 GLU A 65 6.678 -19.680 4.663 1.00 1.00 H new ATOM 0 HG3 GLU A 65 5.222 -20.441 5.273 1.00 1.00 H new ATOM 862 N LYS A 66 5.172 -21.196 0.316 1.00 1.00 N ATOM 863 CA LYS A 66 5.398 -21.722 -1.027 1.00 1.00 C ATOM 864 C LYS A 66 5.673 -20.584 -2.004 1.00 1.00 C ATOM 865 O LYS A 66 6.764 -20.481 -2.565 1.00 1.00 O ATOM 866 CB LYS A 66 4.188 -22.533 -1.492 1.00 1.00 C ATOM 867 CG LYS A 66 3.808 -23.658 -0.543 1.00 1.00 C ATOM 868 CD LYS A 66 2.680 -23.245 0.389 1.00 1.00 C ATOM 869 CE LYS A 66 1.743 -24.406 0.679 1.00 1.00 C ATOM 870 NZ LYS A 66 0.785 -24.085 1.773 1.00 1.00 N ATOM 0 H LYS A 66 4.301 -21.504 0.749 1.00 1.00 H new ATOM 0 HA LYS A 66 6.269 -22.377 -0.999 1.00 1.00 H new ATOM 0 HB2 LYS A 66 3.336 -21.864 -1.608 1.00 1.00 H new ATOM 0 HB3 LYS A 66 4.399 -22.954 -2.475 1.00 1.00 H new ATOM 0 HG2 LYS A 66 3.504 -24.533 -1.118 1.00 1.00 H new ATOM 0 HG3 LYS A 66 4.679 -23.949 0.045 1.00 1.00 H new ATOM 0 HD2 LYS A 66 3.098 -22.871 1.324 1.00 1.00 H new ATOM 0 HD3 LYS A 66 2.118 -22.426 -0.059 1.00 1.00 H new ATOM 0 HE2 LYS A 66 1.190 -24.661 -0.225 1.00 1.00 H new ATOM 0 HE3 LYS A 66 2.327 -25.284 0.954 1.00 1.00 H new ATOM 0 HZ1 LYS A 66 0.163 -24.902 1.941 1.00 1.00 H new ATOM 0 HZ2 LYS A 66 1.312 -23.866 2.643 1.00 1.00 H new ATOM 0 HZ3 LYS A 66 0.210 -23.262 1.501 1.00 1.00 H new ATOM 884 N GLN A 67 4.679 -19.721 -2.188 1.00 1.00 N ATOM 885 CA GLN A 67 4.815 -18.580 -3.079 1.00 1.00 C ATOM 886 C GLN A 67 5.038 -17.307 -2.271 1.00 1.00 C ATOM 887 O GLN A 67 4.231 -16.959 -1.409 1.00 1.00 O ATOM 888 CB GLN A 67 3.566 -18.431 -3.950 1.00 1.00 C ATOM 889 CG GLN A 67 3.362 -19.563 -4.946 1.00 1.00 C ATOM 890 CD GLN A 67 4.652 -20.007 -5.612 1.00 1.00 C ATOM 891 OE1 GLN A 67 5.522 -20.599 -4.974 1.00 1.00 O ATOM 892 NE2 GLN A 67 4.781 -19.721 -6.903 1.00 1.00 N ATOM 0 H GLN A 67 3.770 -19.792 -1.730 1.00 1.00 H new ATOM 0 HA GLN A 67 5.676 -18.747 -3.726 1.00 1.00 H new ATOM 0 HB2 GLN A 67 2.691 -18.369 -3.303 1.00 1.00 H new ATOM 0 HB3 GLN A 67 3.627 -17.489 -4.495 1.00 1.00 H new ATOM 0 HG2 GLN A 67 2.913 -20.414 -4.434 1.00 1.00 H new ATOM 0 HG3 GLN A 67 2.656 -19.243 -5.712 1.00 1.00 H new ATOM 0 HE21 GLN A 67 4.034 -19.228 -7.393 1.00 1.00 H new ATOM 0 HE22 GLN A 67 5.627 -19.994 -7.404 1.00 1.00 H new ATOM 901 N GLN A 68 6.138 -16.616 -2.550 1.00 1.00 N ATOM 902 CA GLN A 68 6.460 -15.384 -1.840 1.00 1.00 C ATOM 903 C GLN A 68 5.695 -14.191 -2.412 1.00 1.00 C ATOM 904 O GLN A 68 5.862 -13.061 -1.952 1.00 1.00 O ATOM 905 CB GLN A 68 7.965 -15.118 -1.897 1.00 1.00 C ATOM 906 CG GLN A 68 8.734 -15.743 -0.744 1.00 1.00 C ATOM 907 CD GLN A 68 9.167 -17.167 -1.035 1.00 1.00 C ATOM 908 OE1 GLN A 68 8.809 -18.088 -0.146 1.00 1.00 O flip ATOM 909 NE2 GLN A 68 9.814 -17.437 -2.046 1.00 1.00 N flip ATOM 0 H GLN A 68 6.819 -16.887 -3.260 1.00 1.00 H new ATOM 0 HA GLN A 68 6.156 -15.511 -0.801 1.00 1.00 H new ATOM 0 HB2 GLN A 68 8.359 -15.503 -2.838 1.00 1.00 H new ATOM 0 HB3 GLN A 68 8.136 -14.042 -1.897 1.00 1.00 H new ATOM 0 HG2 GLN A 68 9.614 -15.137 -0.528 1.00 1.00 H new ATOM 0 HG3 GLN A 68 8.112 -15.732 0.151 1.00 1.00 H new ATOM 0 HE21 GLN A 68 10.067 -16.698 -2.702 1.00 1.00 H new ATOM 0 HE22 GLN A 68 10.097 -18.400 -2.228 1.00 1.00 H new ATOM 918 N HIS A 69 4.854 -14.442 -3.414 1.00 1.00 N ATOM 919 CA HIS A 69 4.069 -13.381 -4.034 1.00 1.00 C ATOM 920 C HIS A 69 2.577 -13.556 -3.745 1.00 1.00 C ATOM 921 O HIS A 69 1.737 -12.912 -4.372 1.00 1.00 O ATOM 922 CB HIS A 69 4.322 -13.349 -5.547 1.00 1.00 C ATOM 923 CG HIS A 69 3.582 -14.406 -6.311 1.00 1.00 C ATOM 924 ND1 HIS A 69 3.902 -15.746 -6.246 1.00 1.00 N ATOM 925 CD2 HIS A 69 2.531 -14.313 -7.160 1.00 1.00 C ATOM 926 CE1 HIS A 69 3.082 -16.431 -7.023 1.00 1.00 C ATOM 927 NE2 HIS A 69 2.240 -15.585 -7.588 1.00 1.00 N ATOM 0 H HIS A 69 4.700 -15.369 -3.811 1.00 1.00 H new ATOM 0 HA HIS A 69 4.384 -12.430 -3.603 1.00 1.00 H new ATOM 0 HB2 HIS A 69 4.037 -12.370 -5.932 1.00 1.00 H new ATOM 0 HB3 HIS A 69 5.390 -13.464 -5.729 1.00 1.00 H new ATOM 0 HD2 HIS A 69 2.017 -13.407 -7.447 1.00 1.00 H new ATOM 0 HE1 HIS A 69 3.098 -17.501 -7.171 1.00 1.00 H new ATOM 0 HE2 HIS A 69 1.494 -15.836 -8.237 1.00 1.00 H new ATOM 936 N ILE A 70 2.253 -14.428 -2.791 1.00 1.00 N ATOM 937 CA ILE A 70 0.864 -14.677 -2.425 1.00 1.00 C ATOM 938 C ILE A 70 0.583 -14.233 -0.997 1.00 1.00 C ATOM 939 O ILE A 70 1.383 -14.467 -0.092 1.00 1.00 O ATOM 940 CB ILE A 70 0.496 -16.165 -2.559 1.00 1.00 C ATOM 941 CG1 ILE A 70 0.904 -16.693 -3.931 1.00 1.00 C ATOM 942 CG2 ILE A 70 -0.996 -16.367 -2.328 1.00 1.00 C ATOM 943 CD1 ILE A 70 0.197 -16.012 -5.081 1.00 1.00 C ATOM 0 H ILE A 70 2.934 -14.972 -2.260 1.00 1.00 H new ATOM 0 HA ILE A 70 0.254 -14.096 -3.117 1.00 1.00 H new ATOM 0 HB ILE A 70 1.040 -16.727 -1.799 1.00 1.00 H new ATOM 0 HG12 ILE A 70 1.980 -16.568 -4.053 1.00 1.00 H new ATOM 0 HG13 ILE A 70 0.700 -17.763 -3.974 1.00 1.00 H new ATOM 0 HG21 ILE A 70 -1.239 -17.425 -2.426 1.00 1.00 H new ATOM 0 HG22 ILE A 70 -1.259 -16.026 -1.327 1.00 1.00 H new ATOM 0 HG23 ILE A 70 -1.559 -15.795 -3.065 1.00 1.00 H new ATOM 0 HD11 ILE A 70 0.539 -16.440 -6.023 1.00 1.00 H new ATOM 0 HD12 ILE A 70 -0.879 -16.159 -4.985 1.00 1.00 H new ATOM 0 HD13 ILE A 70 0.421 -14.945 -5.065 1.00 1.00 H new ATOM 955 N VAL A 71 -0.563 -13.596 -0.806 1.00 1.00 N ATOM 956 CA VAL A 71 -0.965 -13.119 0.512 1.00 1.00 C ATOM 957 C VAL A 71 -2.363 -13.612 0.871 1.00 1.00 C ATOM 958 O VAL A 71 -3.360 -13.088 0.373 1.00 1.00 O ATOM 959 CB VAL A 71 -0.937 -11.581 0.587 1.00 1.00 C ATOM 960 CG1 VAL A 71 -1.174 -11.111 2.014 1.00 1.00 C ATOM 961 CG2 VAL A 71 0.382 -11.042 0.050 1.00 1.00 C ATOM 0 H VAL A 71 -1.233 -13.396 -1.548 1.00 1.00 H new ATOM 0 HA VAL A 71 -0.247 -13.521 1.227 1.00 1.00 H new ATOM 0 HB VAL A 71 -1.741 -11.191 -0.037 1.00 1.00 H new ATOM 0 HG11 VAL A 71 -1.151 -10.022 2.047 1.00 1.00 H new ATOM 0 HG12 VAL A 71 -2.147 -11.464 2.356 1.00 1.00 H new ATOM 0 HG13 VAL A 71 -0.394 -11.510 2.663 1.00 1.00 H new ATOM 0 HG21 VAL A 71 0.382 -9.954 0.111 1.00 1.00 H new ATOM 0 HG22 VAL A 71 1.206 -11.439 0.643 1.00 1.00 H new ATOM 0 HG23 VAL A 71 0.503 -11.347 -0.989 1.00 1.00 H new ATOM 971 N HIS A 72 -2.435 -14.619 1.738 1.00 1.00 N ATOM 972 CA HIS A 72 -3.721 -15.169 2.154 1.00 1.00 C ATOM 973 C HIS A 72 -3.859 -15.165 3.674 1.00 1.00 C ATOM 974 O HIS A 72 -3.354 -16.053 4.360 1.00 1.00 O ATOM 975 CB HIS A 72 -3.893 -16.592 1.614 1.00 1.00 C ATOM 976 CG HIS A 72 -2.901 -17.571 2.163 1.00 1.00 C ATOM 977 ND1 HIS A 72 -3.014 -18.479 3.161 1.00 1.00 N flip ATOM 978 CD2 HIS A 72 -1.616 -17.694 1.679 1.00 1.00 C flip ATOM 979 CE1 HIS A 72 -1.808 -19.127 3.260 1.00 1.00 C flip ATOM 980 NE2 HIS A 72 -0.982 -18.636 2.355 1.00 1.00 N flip ATOM 0 H HIS A 72 -1.624 -15.068 2.163 1.00 1.00 H new ATOM 0 HA HIS A 72 -4.505 -14.534 1.740 1.00 1.00 H new ATOM 0 HB2 HIS A 72 -4.900 -16.940 1.847 1.00 1.00 H new ATOM 0 HB3 HIS A 72 -3.806 -16.571 0.528 1.00 1.00 H new ATOM 0 HD1 HIS A 72 -3.841 -18.650 3.733 1.00 1.00 H new ATOM 0 HD2 HIS A 72 -1.194 -17.112 0.873 1.00 1.00 H new ATOM 0 HE1 HIS A 72 -1.573 -19.911 3.964 1.00 1.00 H new ATOM 989 N CYS A 73 -4.558 -14.160 4.192 1.00 1.00 N ATOM 990 CA CYS A 73 -4.780 -14.036 5.627 1.00 1.00 C ATOM 991 C CYS A 73 -6.258 -13.799 5.916 1.00 1.00 C ATOM 992 O CYS A 73 -6.765 -12.694 5.725 1.00 1.00 O ATOM 993 CB CYS A 73 -3.945 -12.890 6.199 1.00 1.00 C ATOM 994 SG CYS A 73 -3.330 -13.193 7.872 1.00 1.00 S ATOM 0 H CYS A 73 -4.982 -13.417 3.636 1.00 1.00 H new ATOM 0 HA CYS A 73 -4.472 -14.966 6.105 1.00 1.00 H new ATOM 0 HB2 CYS A 73 -3.097 -12.707 5.539 1.00 1.00 H new ATOM 0 HB3 CYS A 73 -4.548 -11.982 6.203 1.00 1.00 H new ATOM 0 HG CYS A 73 -2.142 -13.716 7.809 1.00 1.00 H new ATOM 1000 N SER A 74 -6.951 -14.841 6.363 1.00 1.00 N ATOM 1001 CA SER A 74 -8.375 -14.728 6.656 1.00 1.00 C ATOM 1002 C SER A 74 -8.625 -13.832 7.849 1.00 1.00 C ATOM 1003 O SER A 74 -9.458 -12.927 7.777 1.00 1.00 O ATOM 1004 CB SER A 74 -8.993 -16.108 6.887 1.00 1.00 C ATOM 1005 OG SER A 74 -8.030 -17.022 7.380 1.00 1.00 O ATOM 0 H SER A 74 -6.554 -15.766 6.529 1.00 1.00 H new ATOM 0 HA SER A 74 -8.853 -14.273 5.789 1.00 1.00 H new ATOM 0 HB2 SER A 74 -9.818 -16.027 7.595 1.00 1.00 H new ATOM 0 HB3 SER A 74 -9.411 -16.484 5.953 1.00 1.00 H new ATOM 0 HG SER A 74 -8.450 -17.896 7.521 1.00 1.00 H new ATOM 1011 N ASN A 75 -7.899 -14.043 8.936 1.00 1.00 N ATOM 1012 CA ASN A 75 -8.084 -13.186 10.087 1.00 1.00 C ATOM 1013 C ASN A 75 -6.944 -12.189 10.166 1.00 1.00 C ATOM 1014 O ASN A 75 -5.905 -12.451 10.772 1.00 1.00 O ATOM 1015 CB ASN A 75 -8.149 -14.018 11.370 1.00 1.00 C ATOM 1016 CG ASN A 75 -9.454 -14.778 11.500 1.00 1.00 C ATOM 1017 OD1 ASN A 75 -10.452 -14.434 10.867 1.00 1.00 O ATOM 1018 ND2 ASN A 75 -9.453 -15.819 12.325 1.00 1.00 N ATOM 0 H ASN A 75 -7.199 -14.777 9.042 1.00 1.00 H new ATOM 0 HA ASN A 75 -9.026 -12.648 9.980 1.00 1.00 H new ATOM 0 HB2 ASN A 75 -7.318 -14.723 11.385 1.00 1.00 H new ATOM 0 HB3 ASN A 75 -8.026 -13.362 12.232 1.00 1.00 H new ATOM 0 HD21 ASN A 75 -10.303 -16.369 12.454 1.00 1.00 H new ATOM 0 HD22 ASN A 75 -8.603 -16.069 12.830 1.00 1.00 H new ATOM 1025 N ASP A 76 -7.165 -11.035 9.556 1.00 1.00 N ATOM 1026 CA ASP A 76 -6.172 -9.966 9.557 1.00 1.00 C ATOM 1027 C ASP A 76 -6.808 -8.629 9.183 1.00 1.00 C ATOM 1028 O ASP A 76 -7.607 -8.561 8.249 1.00 1.00 O ATOM 1029 CB ASP A 76 -5.029 -10.298 8.595 1.00 1.00 C ATOM 1030 CG ASP A 76 -3.678 -10.266 9.281 1.00 1.00 C ATOM 1031 OD1 ASP A 76 -3.368 -11.219 10.026 1.00 1.00 O ATOM 1032 OD2 ASP A 76 -2.930 -9.288 9.074 1.00 1.00 O ATOM 0 H ASP A 76 -8.024 -10.812 9.053 1.00 1.00 H new ATOM 0 HA ASP A 76 -5.768 -9.881 10.566 1.00 1.00 H new ATOM 0 HB2 ASP A 76 -5.193 -11.286 8.165 1.00 1.00 H new ATOM 0 HB3 ASP A 76 -5.033 -9.586 7.769 1.00 1.00 H new ATOM 1037 N PRO A 77 -6.456 -7.539 9.892 1.00 1.00 N ATOM 1038 CA PRO A 77 -6.999 -6.215 9.600 1.00 1.00 C ATOM 1039 C PRO A 77 -6.974 -5.917 8.105 1.00 1.00 C ATOM 1040 O PRO A 77 -7.842 -5.215 7.585 1.00 1.00 O ATOM 1041 CB PRO A 77 -6.067 -5.263 10.347 1.00 1.00 C ATOM 1042 CG PRO A 77 -5.441 -6.072 11.432 1.00 1.00 C ATOM 1043 CD PRO A 77 -5.501 -7.517 11.013 1.00 1.00 C ATOM 0 HA PRO A 77 -8.042 -6.123 9.904 1.00 1.00 H new ATOM 0 HB2 PRO A 77 -5.310 -4.853 9.679 1.00 1.00 H new ATOM 0 HB3 PRO A 77 -6.619 -4.418 10.759 1.00 1.00 H new ATOM 0 HG2 PRO A 77 -4.408 -5.762 11.594 1.00 1.00 H new ATOM 0 HG3 PRO A 77 -5.969 -5.924 12.374 1.00 1.00 H new ATOM 0 HD2 PRO A 77 -4.521 -7.882 10.706 1.00 1.00 H new ATOM 0 HD3 PRO A 77 -5.836 -8.154 11.832 1.00 1.00 H new ATOM 1051 N LEU A 78 -5.979 -6.473 7.418 1.00 1.00 N ATOM 1052 CA LEU A 78 -5.848 -6.284 5.979 1.00 1.00 C ATOM 1053 C LEU A 78 -7.073 -6.846 5.273 1.00 1.00 C ATOM 1054 O LEU A 78 -7.753 -6.139 4.529 1.00 1.00 O ATOM 1055 CB LEU A 78 -4.579 -6.967 5.464 1.00 1.00 C ATOM 1056 CG LEU A 78 -3.954 -6.324 4.225 1.00 1.00 C ATOM 1057 CD1 LEU A 78 -3.424 -4.937 4.553 1.00 1.00 C ATOM 1058 CD2 LEU A 78 -2.844 -7.205 3.672 1.00 1.00 C ATOM 0 H LEU A 78 -5.254 -7.057 7.835 1.00 1.00 H new ATOM 0 HA LEU A 78 -5.774 -5.217 5.768 1.00 1.00 H new ATOM 0 HB2 LEU A 78 -3.838 -6.974 6.264 1.00 1.00 H new ATOM 0 HB3 LEU A 78 -4.812 -8.007 5.236 1.00 1.00 H new ATOM 0 HG LEU A 78 -4.726 -6.223 3.462 1.00 1.00 H new ATOM 0 HD11 LEU A 78 -2.983 -4.495 3.659 1.00 1.00 H new ATOM 0 HD12 LEU A 78 -4.243 -4.308 4.903 1.00 1.00 H new ATOM 0 HD13 LEU A 78 -2.666 -5.012 5.333 1.00 1.00 H new ATOM 0 HD21 LEU A 78 -2.410 -6.733 2.791 1.00 1.00 H new ATOM 0 HD22 LEU A 78 -2.072 -7.337 4.430 1.00 1.00 H new ATOM 0 HD23 LEU A 78 -3.254 -8.177 3.398 1.00 1.00 H new ATOM 1070 N GLY A 79 -7.367 -8.117 5.534 1.00 1.00 N ATOM 1071 CA GLY A 79 -8.531 -8.740 4.938 1.00 1.00 C ATOM 1072 C GLY A 79 -9.801 -8.038 5.368 1.00 1.00 C ATOM 1073 O GLY A 79 -10.777 -7.977 4.621 1.00 1.00 O ATOM 0 H GLY A 79 -6.820 -8.723 6.146 1.00 1.00 H new ATOM 0 HA2 GLY A 79 -8.446 -8.713 3.852 1.00 1.00 H new ATOM 0 HA3 GLY A 79 -8.575 -9.790 5.228 1.00 1.00 H new ATOM 1077 N GLU A 80 -9.770 -7.486 6.578 1.00 1.00 N ATOM 1078 CA GLU A 80 -10.903 -6.755 7.123 1.00 1.00 C ATOM 1079 C GLU A 80 -11.077 -5.441 6.373 1.00 1.00 C ATOM 1080 O GLU A 80 -12.194 -4.963 6.174 1.00 1.00 O ATOM 1081 CB GLU A 80 -10.682 -6.481 8.612 1.00 1.00 C ATOM 1082 CG GLU A 80 -10.489 -7.739 9.439 1.00 1.00 C ATOM 1083 CD GLU A 80 -10.658 -7.493 10.925 1.00 1.00 C ATOM 1084 OE1 GLU A 80 -10.548 -6.324 11.350 1.00 1.00 O ATOM 1085 OE2 GLU A 80 -10.901 -8.470 11.665 1.00 1.00 O ATOM 0 H GLU A 80 -8.964 -7.534 7.202 1.00 1.00 H new ATOM 0 HA GLU A 80 -11.805 -7.356 7.005 1.00 1.00 H new ATOM 0 HB2 GLU A 80 -9.807 -5.841 8.729 1.00 1.00 H new ATOM 0 HB3 GLU A 80 -11.536 -5.927 9.002 1.00 1.00 H new ATOM 0 HG2 GLU A 80 -11.205 -8.495 9.116 1.00 1.00 H new ATOM 0 HG3 GLU A 80 -9.494 -8.143 9.252 1.00 1.00 H new ATOM 1092 N LEU A 81 -9.952 -4.870 5.956 1.00 1.00 N ATOM 1093 CA LEU A 81 -9.950 -3.613 5.219 1.00 1.00 C ATOM 1094 C LEU A 81 -10.360 -3.838 3.768 1.00 1.00 C ATOM 1095 O LEU A 81 -11.352 -3.281 3.298 1.00 1.00 O ATOM 1096 CB LEU A 81 -8.560 -2.976 5.273 1.00 1.00 C ATOM 1097 CG LEU A 81 -8.442 -1.618 4.581 1.00 1.00 C ATOM 1098 CD1 LEU A 81 -9.464 -0.641 5.142 1.00 1.00 C ATOM 1099 CD2 LEU A 81 -7.033 -1.065 4.732 1.00 1.00 C ATOM 0 H LEU A 81 -9.024 -5.262 6.118 1.00 1.00 H new ATOM 0 HA LEU A 81 -10.672 -2.941 5.684 1.00 1.00 H new ATOM 0 HB2 LEU A 81 -8.271 -2.861 6.318 1.00 1.00 H new ATOM 0 HB3 LEU A 81 -7.845 -3.662 4.818 1.00 1.00 H new ATOM 0 HG LEU A 81 -8.646 -1.754 3.519 1.00 1.00 H new ATOM 0 HD11 LEU A 81 -9.364 0.320 4.637 1.00 1.00 H new ATOM 0 HD12 LEU A 81 -10.468 -1.033 4.981 1.00 1.00 H new ATOM 0 HD13 LEU A 81 -9.293 -0.509 6.210 1.00 1.00 H new ATOM 0 HD21 LEU A 81 -6.966 -0.098 4.234 1.00 1.00 H new ATOM 0 HD22 LEU A 81 -6.801 -0.945 5.790 1.00 1.00 H new ATOM 0 HD23 LEU A 81 -6.321 -1.756 4.281 1.00 1.00 H new ATOM 1111 N PHE A 82 -9.588 -4.659 3.064 1.00 1.00 N ATOM 1112 CA PHE A 82 -9.865 -4.962 1.664 1.00 1.00 C ATOM 1113 C PHE A 82 -11.130 -5.805 1.526 1.00 1.00 C ATOM 1114 O PHE A 82 -11.806 -5.762 0.499 1.00 1.00 O ATOM 1115 CB PHE A 82 -8.681 -5.700 1.037 1.00 1.00 C ATOM 1116 CG PHE A 82 -7.396 -4.922 1.075 1.00 1.00 C ATOM 1117 CD1 PHE A 82 -7.383 -3.563 0.804 1.00 1.00 C ATOM 1118 CD2 PHE A 82 -6.200 -5.551 1.383 1.00 1.00 C ATOM 1119 CE1 PHE A 82 -6.202 -2.846 0.840 1.00 1.00 C ATOM 1120 CE2 PHE A 82 -5.016 -4.839 1.419 1.00 1.00 C ATOM 1121 CZ PHE A 82 -5.017 -3.485 1.147 1.00 1.00 C ATOM 0 H PHE A 82 -8.764 -5.127 3.441 1.00 1.00 H new ATOM 0 HA PHE A 82 -10.019 -4.019 1.140 1.00 1.00 H new ATOM 0 HB2 PHE A 82 -8.538 -6.647 1.557 1.00 1.00 H new ATOM 0 HB3 PHE A 82 -8.920 -5.939 0.001 1.00 1.00 H new ATOM 0 HD1 PHE A 82 -8.307 -3.058 0.562 1.00 1.00 H new ATOM 0 HD2 PHE A 82 -6.193 -6.610 1.597 1.00 1.00 H new ATOM 0 HE1 PHE A 82 -6.206 -1.787 0.628 1.00 1.00 H new ATOM 0 HE2 PHE A 82 -4.091 -5.341 1.660 1.00 1.00 H new ATOM 0 HZ PHE A 82 -4.093 -2.927 1.174 1.00 1.00 H new ATOM 1131 N GLY A 83 -11.443 -6.570 2.566 1.00 1.00 N ATOM 1132 CA GLY A 83 -12.625 -7.411 2.538 1.00 1.00 C ATOM 1133 C GLY A 83 -12.412 -8.687 1.745 1.00 1.00 C ATOM 1134 O GLY A 83 -13.346 -9.211 1.138 1.00 1.00 O ATOM 0 H GLY A 83 -10.900 -6.623 3.428 1.00 1.00 H new ATOM 0 HA2 GLY A 83 -12.910 -7.665 3.559 1.00 1.00 H new ATOM 0 HA3 GLY A 83 -13.454 -6.852 2.105 1.00 1.00 H new ATOM 1138 N VAL A 84 -11.181 -9.187 1.751 1.00 1.00 N ATOM 1139 CA VAL A 84 -10.850 -10.409 1.027 1.00 1.00 C ATOM 1140 C VAL A 84 -10.132 -11.407 1.930 1.00 1.00 C ATOM 1141 O VAL A 84 -9.729 -11.073 3.044 1.00 1.00 O ATOM 1142 CB VAL A 84 -9.966 -10.116 -0.201 1.00 1.00 C ATOM 1143 CG1 VAL A 84 -10.707 -9.234 -1.194 1.00 1.00 C ATOM 1144 CG2 VAL A 84 -8.656 -9.469 0.224 1.00 1.00 C ATOM 0 H VAL A 84 -10.397 -8.765 2.249 1.00 1.00 H new ATOM 0 HA VAL A 84 -11.793 -10.840 0.691 1.00 1.00 H new ATOM 0 HB VAL A 84 -9.734 -11.061 -0.692 1.00 1.00 H new ATOM 0 HG11 VAL A 84 -10.067 -9.038 -2.054 1.00 1.00 H new ATOM 0 HG12 VAL A 84 -11.614 -9.740 -1.524 1.00 1.00 H new ATOM 0 HG13 VAL A 84 -10.972 -8.291 -0.716 1.00 1.00 H new ATOM 0 HG21 VAL A 84 -8.046 -9.270 -0.657 1.00 1.00 H new ATOM 0 HG22 VAL A 84 -8.864 -8.532 0.741 1.00 1.00 H new ATOM 0 HG23 VAL A 84 -8.119 -10.141 0.893 1.00 1.00 H new ATOM 1154 N GLN A 85 -9.979 -12.635 1.444 1.00 1.00 N ATOM 1155 CA GLN A 85 -9.313 -13.682 2.206 1.00 1.00 C ATOM 1156 C GLN A 85 -7.961 -14.033 1.588 1.00 1.00 C ATOM 1157 O GLN A 85 -7.035 -14.441 2.288 1.00 1.00 O ATOM 1158 CB GLN A 85 -10.201 -14.928 2.271 1.00 1.00 C ATOM 1159 CG GLN A 85 -9.530 -16.123 2.926 1.00 1.00 C ATOM 1160 CD GLN A 85 -10.517 -17.204 3.320 1.00 1.00 C ATOM 1161 OE1 GLN A 85 -10.473 -18.320 2.802 1.00 1.00 O ATOM 1162 NE2 GLN A 85 -11.416 -16.877 4.241 1.00 1.00 N ATOM 0 H GLN A 85 -10.308 -12.928 0.524 1.00 1.00 H new ATOM 0 HA GLN A 85 -9.139 -13.312 3.216 1.00 1.00 H new ATOM 0 HB2 GLN A 85 -11.111 -14.687 2.821 1.00 1.00 H new ATOM 0 HB3 GLN A 85 -10.503 -15.201 1.260 1.00 1.00 H new ATOM 0 HG2 GLN A 85 -8.793 -16.542 2.241 1.00 1.00 H new ATOM 0 HG3 GLN A 85 -8.989 -15.790 3.812 1.00 1.00 H new ATOM 0 HE21 GLN A 85 -11.416 -15.940 4.644 1.00 1.00 H new ATOM 0 HE22 GLN A 85 -12.107 -17.563 4.546 1.00 1.00 H new ATOM 1171 N GLU A 86 -7.856 -13.872 0.272 1.00 1.00 N ATOM 1172 CA GLU A 86 -6.617 -14.174 -0.437 1.00 1.00 C ATOM 1173 C GLU A 86 -6.477 -13.301 -1.680 1.00 1.00 C ATOM 1174 O GLU A 86 -7.468 -12.960 -2.325 1.00 1.00 O ATOM 1175 CB GLU A 86 -6.573 -15.652 -0.834 1.00 1.00 C ATOM 1176 CG GLU A 86 -7.187 -16.583 0.201 1.00 1.00 C ATOM 1177 CD GLU A 86 -7.116 -18.040 -0.212 1.00 1.00 C ATOM 1178 OE1 GLU A 86 -5.991 -18.563 -0.356 1.00 1.00 O ATOM 1179 OE2 GLU A 86 -8.187 -18.659 -0.391 1.00 1.00 O ATOM 0 H GLU A 86 -8.612 -13.535 -0.324 1.00 1.00 H new ATOM 0 HA GLU A 86 -5.785 -13.962 0.235 1.00 1.00 H new ATOM 0 HB2 GLU A 86 -7.097 -15.780 -1.781 1.00 1.00 H new ATOM 0 HB3 GLU A 86 -5.536 -15.943 -1.002 1.00 1.00 H new ATOM 0 HG2 GLU A 86 -6.671 -16.453 1.153 1.00 1.00 H new ATOM 0 HG3 GLU A 86 -8.229 -16.305 0.362 1.00 1.00 H new ATOM 1186 N PHE A 87 -5.240 -12.942 -2.011 1.00 1.00 N ATOM 1187 CA PHE A 87 -4.977 -12.110 -3.178 1.00 1.00 C ATOM 1188 C PHE A 87 -3.514 -12.206 -3.600 1.00 1.00 C ATOM 1189 O PHE A 87 -2.641 -12.508 -2.787 1.00 1.00 O ATOM 1190 CB PHE A 87 -5.342 -10.653 -2.885 1.00 1.00 C ATOM 1191 CG PHE A 87 -4.478 -10.014 -1.834 1.00 1.00 C ATOM 1192 CD1 PHE A 87 -4.686 -10.283 -0.490 1.00 1.00 C ATOM 1193 CD2 PHE A 87 -3.460 -9.145 -2.190 1.00 1.00 C ATOM 1194 CE1 PHE A 87 -3.893 -9.697 0.478 1.00 1.00 C ATOM 1195 CE2 PHE A 87 -2.664 -8.556 -1.226 1.00 1.00 C ATOM 1196 CZ PHE A 87 -2.881 -8.832 0.110 1.00 1.00 C ATOM 0 H PHE A 87 -4.407 -13.214 -1.489 1.00 1.00 H new ATOM 0 HA PHE A 87 -5.596 -12.475 -3.998 1.00 1.00 H new ATOM 0 HB2 PHE A 87 -5.265 -10.076 -3.806 1.00 1.00 H new ATOM 0 HB3 PHE A 87 -6.383 -10.606 -2.565 1.00 1.00 H new ATOM 0 HD1 PHE A 87 -5.476 -10.958 -0.196 1.00 1.00 H new ATOM 0 HD2 PHE A 87 -3.286 -8.925 -3.233 1.00 1.00 H new ATOM 0 HE1 PHE A 87 -4.064 -9.915 1.522 1.00 1.00 H new ATOM 0 HE2 PHE A 87 -1.873 -7.881 -1.517 1.00 1.00 H new ATOM 0 HZ PHE A 87 -2.261 -8.372 0.865 1.00 1.00 H new ATOM 1206 N SER A 88 -3.255 -11.943 -4.876 1.00 1.00 N ATOM 1207 CA SER A 88 -1.898 -11.995 -5.407 1.00 1.00 C ATOM 1208 C SER A 88 -1.385 -10.591 -5.711 1.00 1.00 C ATOM 1209 O SER A 88 -2.074 -9.792 -6.344 1.00 1.00 O ATOM 1210 CB SER A 88 -1.854 -12.852 -6.674 1.00 1.00 C ATOM 1211 OG SER A 88 -0.564 -13.401 -6.874 1.00 1.00 O ATOM 0 H SER A 88 -3.967 -11.692 -5.562 1.00 1.00 H new ATOM 0 HA SER A 88 -1.254 -12.446 -4.652 1.00 1.00 H new ATOM 0 HB2 SER A 88 -2.587 -13.655 -6.599 1.00 1.00 H new ATOM 0 HB3 SER A 88 -2.132 -12.246 -7.536 1.00 1.00 H new ATOM 0 HG SER A 88 -0.563 -13.945 -7.689 1.00 1.00 H new ATOM 1217 N VAL A 89 -0.173 -10.296 -5.253 1.00 1.00 N ATOM 1218 CA VAL A 89 0.427 -8.985 -5.476 1.00 1.00 C ATOM 1219 C VAL A 89 0.848 -8.796 -6.932 1.00 1.00 C ATOM 1220 O VAL A 89 1.227 -7.697 -7.337 1.00 1.00 O ATOM 1221 CB VAL A 89 1.648 -8.756 -4.565 1.00 1.00 C ATOM 1222 CG1 VAL A 89 1.200 -8.446 -3.148 1.00 1.00 C ATOM 1223 CG2 VAL A 89 2.575 -9.961 -4.587 1.00 1.00 C ATOM 0 H VAL A 89 0.412 -10.945 -4.726 1.00 1.00 H new ATOM 0 HA VAL A 89 -0.342 -8.252 -5.231 1.00 1.00 H new ATOM 0 HB VAL A 89 2.204 -7.899 -4.946 1.00 1.00 H new ATOM 0 HG11 VAL A 89 2.074 -8.287 -2.517 1.00 1.00 H new ATOM 0 HG12 VAL A 89 0.585 -7.546 -3.150 1.00 1.00 H new ATOM 0 HG13 VAL A 89 0.619 -9.282 -2.759 1.00 1.00 H new ATOM 0 HG21 VAL A 89 3.429 -9.775 -3.936 1.00 1.00 H new ATOM 0 HG22 VAL A 89 2.036 -10.841 -4.236 1.00 1.00 H new ATOM 0 HG23 VAL A 89 2.925 -10.132 -5.605 1.00 1.00 H new ATOM 1233 N LYS A 90 0.778 -9.868 -7.720 1.00 1.00 N ATOM 1234 CA LYS A 90 1.152 -9.804 -9.129 1.00 1.00 C ATOM 1235 C LYS A 90 0.355 -8.724 -9.855 1.00 1.00 C ATOM 1236 O LYS A 90 0.856 -8.082 -10.778 1.00 1.00 O ATOM 1237 CB LYS A 90 0.925 -11.160 -9.801 1.00 1.00 C ATOM 1238 CG LYS A 90 1.986 -11.514 -10.831 1.00 1.00 C ATOM 1239 CD LYS A 90 3.347 -11.712 -10.184 1.00 1.00 C ATOM 1240 CE LYS A 90 4.102 -12.869 -10.817 1.00 1.00 C ATOM 1241 NZ LYS A 90 5.319 -13.231 -10.039 1.00 1.00 N ATOM 0 H LYS A 90 0.467 -10.787 -7.407 1.00 1.00 H new ATOM 0 HA LYS A 90 2.210 -9.550 -9.187 1.00 1.00 H new ATOM 0 HB2 LYS A 90 0.900 -11.936 -9.036 1.00 1.00 H new ATOM 0 HB3 LYS A 90 -0.052 -11.158 -10.284 1.00 1.00 H new ATOM 0 HG2 LYS A 90 1.696 -12.424 -11.356 1.00 1.00 H new ATOM 0 HG3 LYS A 90 2.049 -10.722 -11.577 1.00 1.00 H new ATOM 0 HD2 LYS A 90 3.933 -10.798 -10.280 1.00 1.00 H new ATOM 0 HD3 LYS A 90 3.220 -11.899 -9.118 1.00 1.00 H new ATOM 0 HE2 LYS A 90 3.445 -13.736 -10.887 1.00 1.00 H new ATOM 0 HE3 LYS A 90 4.388 -12.602 -11.835 1.00 1.00 H new ATOM 0 HZ1 LYS A 90 5.805 -14.024 -10.504 1.00 1.00 H new ATOM 0 HZ2 LYS A 90 5.958 -12.412 -9.993 1.00 1.00 H new ATOM 0 HZ3 LYS A 90 5.045 -13.510 -9.075 1.00 1.00 H new ATOM 1255 N GLU A 91 -0.889 -8.528 -9.428 1.00 1.00 N ATOM 1256 CA GLU A 91 -1.757 -7.524 -10.033 1.00 1.00 C ATOM 1257 C GLU A 91 -1.638 -6.193 -9.298 1.00 1.00 C ATOM 1258 O GLU A 91 -2.471 -5.861 -8.455 1.00 1.00 O ATOM 1259 CB GLU A 91 -3.210 -8.001 -10.020 1.00 1.00 C ATOM 1260 CG GLU A 91 -3.491 -9.125 -11.003 1.00 1.00 C ATOM 1261 CD GLU A 91 -4.969 -9.284 -11.300 1.00 1.00 C ATOM 1262 OE1 GLU A 91 -5.785 -9.087 -10.375 1.00 1.00 O ATOM 1263 OE2 GLU A 91 -5.311 -9.605 -12.457 1.00 1.00 O ATOM 0 H GLU A 91 -1.318 -9.052 -8.665 1.00 1.00 H new ATOM 0 HA GLU A 91 -1.441 -7.378 -11.066 1.00 1.00 H new ATOM 0 HB2 GLU A 91 -3.464 -8.337 -9.015 1.00 1.00 H new ATOM 0 HB3 GLU A 91 -3.862 -7.158 -10.249 1.00 1.00 H new ATOM 0 HG2 GLU A 91 -2.956 -8.932 -11.933 1.00 1.00 H new ATOM 0 HG3 GLU A 91 -3.102 -10.060 -10.600 1.00 1.00 H new ATOM 1270 N HIS A 92 -0.596 -5.436 -9.623 1.00 1.00 N ATOM 1271 CA HIS A 92 -0.363 -4.141 -8.994 1.00 1.00 C ATOM 1272 C HIS A 92 -1.525 -3.188 -9.256 1.00 1.00 C ATOM 1273 O HIS A 92 -1.852 -2.348 -8.419 1.00 1.00 O ATOM 1274 CB HIS A 92 0.940 -3.530 -9.512 1.00 1.00 C ATOM 1275 CG HIS A 92 2.168 -4.211 -8.992 1.00 1.00 C ATOM 1276 ND1 HIS A 92 2.329 -5.096 -7.979 1.00 1.00 N flip ATOM 1277 CD2 HIS A 92 3.423 -4.009 -9.525 1.00 1.00 C flip ATOM 1278 CE1 HIS A 92 3.665 -5.408 -7.921 1.00 1.00 C flip ATOM 1279 NE2 HIS A 92 4.303 -4.740 -8.865 1.00 1.00 N flip ATOM 0 H HIS A 92 0.102 -5.697 -10.320 1.00 1.00 H new ATOM 0 HA HIS A 92 -0.283 -4.297 -7.918 1.00 1.00 H new ATOM 0 HB2 HIS A 92 0.944 -3.573 -10.601 1.00 1.00 H new ATOM 0 HB3 HIS A 92 0.973 -2.476 -9.234 1.00 1.00 H new ATOM 0 HD1 HIS A 92 1.595 -5.462 -7.373 1.00 1.00 H new ATOM 0 HD2 HIS A 92 3.651 -3.355 -10.353 1.00 1.00 H new ATOM 0 HE1 HIS A 92 4.120 -6.089 -7.217 1.00 1.00 H new ATOM 1288 N ARG A 93 -2.144 -3.324 -10.424 1.00 1.00 N ATOM 1289 CA ARG A 93 -3.269 -2.474 -10.797 1.00 1.00 C ATOM 1290 C ARG A 93 -4.428 -2.636 -9.817 1.00 1.00 C ATOM 1291 O ARG A 93 -5.205 -1.706 -9.600 1.00 1.00 O ATOM 1292 CB ARG A 93 -3.734 -2.804 -12.218 1.00 1.00 C ATOM 1293 CG ARG A 93 -3.629 -1.631 -13.180 1.00 1.00 C ATOM 1294 CD ARG A 93 -4.825 -0.700 -13.059 1.00 1.00 C ATOM 1295 NE ARG A 93 -4.454 0.598 -12.500 1.00 1.00 N ATOM 1296 CZ ARG A 93 -3.850 1.559 -13.195 1.00 1.00 C ATOM 1297 NH1 ARG A 93 -3.549 1.374 -14.474 1.00 1.00 N ATOM 1298 NH2 ARG A 93 -3.547 2.710 -12.609 1.00 1.00 N ATOM 0 H ARG A 93 -1.886 -4.015 -11.129 1.00 1.00 H new ATOM 0 HA ARG A 93 -2.935 -1.437 -10.762 1.00 1.00 H new ATOM 0 HB2 ARG A 93 -3.140 -3.633 -12.603 1.00 1.00 H new ATOM 0 HB3 ARG A 93 -4.769 -3.143 -12.183 1.00 1.00 H new ATOM 0 HG2 ARG A 93 -2.713 -1.076 -12.979 1.00 1.00 H new ATOM 0 HG3 ARG A 93 -3.559 -2.003 -14.202 1.00 1.00 H new ATOM 0 HD2 ARG A 93 -5.274 -0.557 -14.042 1.00 1.00 H new ATOM 0 HD3 ARG A 93 -5.583 -1.164 -12.427 1.00 1.00 H new ATOM 0 HE ARG A 93 -4.671 0.778 -11.520 1.00 1.00 H new ATOM 0 HH11 ARG A 93 -3.781 0.491 -14.930 1.00 1.00 H new ATOM 0 HH12 ARG A 93 -3.086 2.114 -15.001 1.00 1.00 H new ATOM 0 HH21 ARG A 93 -3.777 2.858 -11.626 1.00 1.00 H new ATOM 0 HH22 ARG A 93 -3.084 3.447 -13.141 1.00 1.00 H new ATOM 1312 N ARG A 94 -4.540 -3.823 -9.229 1.00 1.00 N ATOM 1313 CA ARG A 94 -5.607 -4.106 -8.276 1.00 1.00 C ATOM 1314 C ARG A 94 -5.272 -3.551 -6.895 1.00 1.00 C ATOM 1315 O ARG A 94 -6.123 -2.960 -6.230 1.00 1.00 O ATOM 1316 CB ARG A 94 -5.850 -5.614 -8.186 1.00 1.00 C ATOM 1317 CG ARG A 94 -6.802 -6.141 -9.248 1.00 1.00 C ATOM 1318 CD ARG A 94 -8.009 -6.828 -8.628 1.00 1.00 C ATOM 1319 NE ARG A 94 -7.620 -7.918 -7.737 1.00 1.00 N ATOM 1320 CZ ARG A 94 -8.444 -8.891 -7.352 1.00 1.00 C ATOM 1321 NH1 ARG A 94 -9.701 -8.912 -7.777 1.00 1.00 N ATOM 1322 NH2 ARG A 94 -8.009 -9.845 -6.541 1.00 1.00 N ATOM 0 H ARG A 94 -3.905 -4.604 -9.396 1.00 1.00 H new ATOM 0 HA ARG A 94 -6.514 -3.617 -8.631 1.00 1.00 H new ATOM 0 HB2 ARG A 94 -4.896 -6.133 -8.275 1.00 1.00 H new ATOM 0 HB3 ARG A 94 -6.251 -5.851 -7.201 1.00 1.00 H new ATOM 0 HG2 ARG A 94 -7.136 -5.317 -9.879 1.00 1.00 H new ATOM 0 HG3 ARG A 94 -6.275 -6.843 -9.894 1.00 1.00 H new ATOM 0 HD2 ARG A 94 -8.596 -6.097 -8.072 1.00 1.00 H new ATOM 0 HD3 ARG A 94 -8.650 -7.217 -9.419 1.00 1.00 H new ATOM 0 HE ARG A 94 -6.661 -7.935 -7.389 1.00 1.00 H new ATOM 0 HH11 ARG A 94 -10.040 -8.181 -8.402 1.00 1.00 H new ATOM 0 HH12 ARG A 94 -10.328 -9.660 -7.479 1.00 1.00 H new ATOM 0 HH21 ARG A 94 -7.044 -9.834 -6.212 1.00 1.00 H new ATOM 0 HH22 ARG A 94 -8.640 -10.590 -6.246 1.00 1.00 H new ATOM 1336 N ILE A 95 -4.029 -3.748 -6.466 1.00 1.00 N ATOM 1337 CA ILE A 95 -3.586 -3.269 -5.162 1.00 1.00 C ATOM 1338 C ILE A 95 -3.713 -1.752 -5.057 1.00 1.00 C ATOM 1339 O ILE A 95 -4.342 -1.235 -4.133 1.00 1.00 O ATOM 1340 CB ILE A 95 -2.129 -3.677 -4.880 1.00 1.00 C ATOM 1341 CG1 ILE A 95 -1.955 -5.183 -5.090 1.00 1.00 C ATOM 1342 CG2 ILE A 95 -1.732 -3.279 -3.464 1.00 1.00 C ATOM 1343 CD1 ILE A 95 -0.600 -5.704 -4.666 1.00 1.00 C ATOM 0 H ILE A 95 -3.311 -4.236 -7.002 1.00 1.00 H new ATOM 0 HA ILE A 95 -4.234 -3.733 -4.418 1.00 1.00 H new ATOM 0 HB ILE A 95 -1.474 -3.153 -5.577 1.00 1.00 H new ATOM 0 HG12 ILE A 95 -2.728 -5.710 -4.531 1.00 1.00 H new ATOM 0 HG13 ILE A 95 -2.110 -5.414 -6.144 1.00 1.00 H new ATOM 0 HG21 ILE A 95 -0.699 -3.574 -3.279 1.00 1.00 H new ATOM 0 HG22 ILE A 95 -1.827 -2.199 -3.349 1.00 1.00 H new ATOM 0 HG23 ILE A 95 -2.385 -3.779 -2.749 1.00 1.00 H new ATOM 0 HD11 ILE A 95 -0.551 -6.778 -4.845 1.00 1.00 H new ATOM 0 HD12 ILE A 95 0.179 -5.204 -5.242 1.00 1.00 H new ATOM 0 HD13 ILE A 95 -0.450 -5.505 -3.605 1.00 1.00 H new ATOM 1355 N TYR A 96 -3.113 -1.043 -6.008 1.00 1.00 N ATOM 1356 CA TYR A 96 -3.159 0.416 -6.022 1.00 1.00 C ATOM 1357 C TYR A 96 -4.601 0.916 -6.012 1.00 1.00 C ATOM 1358 O TYR A 96 -4.976 1.741 -5.179 1.00 1.00 O ATOM 1359 CB TYR A 96 -2.428 0.956 -7.252 1.00 1.00 C ATOM 1360 CG TYR A 96 -2.116 2.433 -7.174 1.00 1.00 C ATOM 1361 CD1 TYR A 96 -3.071 3.383 -7.516 1.00 1.00 C ATOM 1362 CD2 TYR A 96 -0.867 2.877 -6.760 1.00 1.00 C ATOM 1363 CE1 TYR A 96 -2.789 4.734 -7.448 1.00 1.00 C ATOM 1364 CE2 TYR A 96 -0.577 4.227 -6.689 1.00 1.00 C ATOM 1365 CZ TYR A 96 -1.541 5.151 -7.034 1.00 1.00 C ATOM 1366 OH TYR A 96 -1.257 6.495 -6.965 1.00 1.00 O ATOM 0 H TYR A 96 -2.589 -1.455 -6.780 1.00 1.00 H new ATOM 0 HA TYR A 96 -2.662 0.780 -5.123 1.00 1.00 H new ATOM 0 HB2 TYR A 96 -1.497 0.404 -7.382 1.00 1.00 H new ATOM 0 HB3 TYR A 96 -3.036 0.768 -8.137 1.00 1.00 H new ATOM 0 HD1 TYR A 96 -4.049 3.060 -7.840 1.00 1.00 H new ATOM 0 HD2 TYR A 96 -0.110 2.156 -6.489 1.00 1.00 H new ATOM 0 HE1 TYR A 96 -3.542 5.460 -7.718 1.00 1.00 H new ATOM 0 HE2 TYR A 96 0.399 4.556 -6.365 1.00 1.00 H new ATOM 0 HH TYR A 96 -2.077 6.993 -6.766 1.00 1.00 H new ATOM 1376 N ALA A 97 -5.404 0.409 -6.941 1.00 1.00 N ATOM 1377 CA ALA A 97 -6.805 0.802 -7.037 1.00 1.00 C ATOM 1378 C ALA A 97 -7.591 0.338 -5.815 1.00 1.00 C ATOM 1379 O ALA A 97 -8.620 0.917 -5.470 1.00 1.00 O ATOM 1380 CB ALA A 97 -7.423 0.243 -8.309 1.00 1.00 C ATOM 0 H ALA A 97 -5.109 -0.275 -7.638 1.00 1.00 H new ATOM 0 HA ALA A 97 -6.850 1.890 -7.072 1.00 1.00 H new ATOM 0 HB1 ALA A 97 -8.469 0.544 -8.368 1.00 1.00 H new ATOM 0 HB2 ALA A 97 -6.885 0.629 -9.175 1.00 1.00 H new ATOM 0 HB3 ALA A 97 -7.359 -0.845 -8.297 1.00 1.00 H new ATOM 1386 N MET A 98 -7.098 -0.711 -5.162 1.00 1.00 N ATOM 1387 CA MET A 98 -7.742 -1.254 -3.985 1.00 1.00 C ATOM 1388 C MET A 98 -7.516 -0.340 -2.781 1.00 1.00 C ATOM 1389 O MET A 98 -8.463 0.222 -2.230 1.00 1.00 O ATOM 1390 CB MET A 98 -7.195 -2.659 -3.719 1.00 1.00 C ATOM 1391 CG MET A 98 -7.305 -3.091 -2.275 1.00 1.00 C ATOM 1392 SD MET A 98 -7.671 -4.847 -2.095 1.00 1.00 S ATOM 1393 CE MET A 98 -6.029 -5.550 -2.230 1.00 1.00 C ATOM 0 H MET A 98 -6.247 -1.201 -5.437 1.00 1.00 H new ATOM 0 HA MET A 98 -8.817 -1.317 -4.153 1.00 1.00 H new ATOM 0 HB2 MET A 98 -7.732 -3.373 -4.344 1.00 1.00 H new ATOM 0 HB3 MET A 98 -6.148 -2.695 -4.021 1.00 1.00 H new ATOM 0 HG2 MET A 98 -6.371 -2.865 -1.761 1.00 1.00 H new ATOM 0 HG3 MET A 98 -8.087 -2.510 -1.786 1.00 1.00 H new ATOM 0 HE1 MET A 98 -6.082 -6.629 -2.085 1.00 1.00 H new ATOM 0 HE2 MET A 98 -5.622 -5.336 -3.218 1.00 1.00 H new ATOM 0 HE3 MET A 98 -5.382 -5.113 -1.469 1.00 1.00 H new ATOM 1403 N ILE A 99 -6.257 -0.195 -2.382 1.00 1.00 N ATOM 1404 CA ILE A 99 -5.905 0.652 -1.247 1.00 1.00 C ATOM 1405 C ILE A 99 -6.437 2.069 -1.434 1.00 1.00 C ATOM 1406 O ILE A 99 -6.748 2.758 -0.463 1.00 1.00 O ATOM 1407 CB ILE A 99 -4.379 0.712 -1.041 1.00 1.00 C ATOM 1408 CG1 ILE A 99 -3.672 1.037 -2.360 1.00 1.00 C ATOM 1409 CG2 ILE A 99 -3.871 -0.604 -0.470 1.00 1.00 C ATOM 1410 CD1 ILE A 99 -3.143 2.453 -2.427 1.00 1.00 C ATOM 0 H ILE A 99 -5.462 -0.653 -2.828 1.00 1.00 H new ATOM 0 HA ILE A 99 -6.365 0.206 -0.365 1.00 1.00 H new ATOM 0 HB ILE A 99 -4.155 1.506 -0.329 1.00 1.00 H new ATOM 0 HG12 ILE A 99 -2.845 0.341 -2.501 1.00 1.00 H new ATOM 0 HG13 ILE A 99 -4.367 0.877 -3.185 1.00 1.00 H new ATOM 0 HG21 ILE A 99 -2.792 -0.547 -0.330 1.00 1.00 H new ATOM 0 HG22 ILE A 99 -4.352 -0.794 0.489 1.00 1.00 H new ATOM 0 HG23 ILE A 99 -4.105 -1.415 -1.160 1.00 1.00 H new ATOM 0 HD11 ILE A 99 -2.655 2.614 -3.388 1.00 1.00 H new ATOM 0 HD12 ILE A 99 -3.969 3.156 -2.318 1.00 1.00 H new ATOM 0 HD13 ILE A 99 -2.424 2.611 -1.624 1.00 1.00 H new ATOM 1422 N SER A 100 -6.542 2.497 -2.688 1.00 1.00 N ATOM 1423 CA SER A 100 -7.040 3.831 -3.001 1.00 1.00 C ATOM 1424 C SER A 100 -8.471 4.008 -2.502 1.00 1.00 C ATOM 1425 O SER A 100 -8.776 4.962 -1.787 1.00 1.00 O ATOM 1426 CB SER A 100 -6.979 4.081 -4.509 1.00 1.00 C ATOM 1427 OG SER A 100 -5.750 4.684 -4.877 1.00 1.00 O ATOM 0 H SER A 100 -6.289 1.939 -3.504 1.00 1.00 H new ATOM 0 HA SER A 100 -6.404 4.557 -2.494 1.00 1.00 H new ATOM 0 HB2 SER A 100 -7.099 3.138 -5.042 1.00 1.00 H new ATOM 0 HB3 SER A 100 -7.807 4.724 -4.808 1.00 1.00 H new ATOM 0 HG SER A 100 -5.095 3.987 -5.093 1.00 1.00 H new ATOM 1433 N ARG A 101 -9.343 3.080 -2.882 1.00 1.00 N ATOM 1434 CA ARG A 101 -10.742 3.132 -2.471 1.00 1.00 C ATOM 1435 C ARG A 101 -10.870 3.116 -0.949 1.00 1.00 C ATOM 1436 O ARG A 101 -11.891 3.529 -0.400 1.00 1.00 O ATOM 1437 CB ARG A 101 -11.515 1.953 -3.067 1.00 1.00 C ATOM 1438 CG ARG A 101 -11.422 1.867 -4.582 1.00 1.00 C ATOM 1439 CD ARG A 101 -11.786 0.479 -5.086 1.00 1.00 C ATOM 1440 NE ARG A 101 -12.856 0.521 -6.080 1.00 1.00 N ATOM 1441 CZ ARG A 101 -13.601 -0.530 -6.412 1.00 1.00 C ATOM 1442 NH1 ARG A 101 -13.397 -1.707 -5.833 1.00 1.00 N ATOM 1443 NH2 ARG A 101 -14.554 -0.405 -7.326 1.00 1.00 N ATOM 0 H ARG A 101 -9.106 2.283 -3.473 1.00 1.00 H new ATOM 0 HA ARG A 101 -11.165 4.065 -2.843 1.00 1.00 H new ATOM 0 HB2 ARG A 101 -11.137 1.026 -2.635 1.00 1.00 H new ATOM 0 HB3 ARG A 101 -12.563 2.034 -2.780 1.00 1.00 H new ATOM 0 HG2 ARG A 101 -12.088 2.604 -5.031 1.00 1.00 H new ATOM 0 HG3 ARG A 101 -10.410 2.117 -4.900 1.00 1.00 H new ATOM 0 HD2 ARG A 101 -10.904 0.009 -5.522 1.00 1.00 H new ATOM 0 HD3 ARG A 101 -12.096 -0.142 -4.246 1.00 1.00 H new ATOM 0 HE ARG A 101 -13.043 1.408 -6.547 1.00 1.00 H new ATOM 0 HH11 ARG A 101 -12.666 -1.809 -5.129 1.00 1.00 H new ATOM 0 HH12 ARG A 101 -13.972 -2.509 -6.092 1.00 1.00 H new ATOM 0 HH21 ARG A 101 -14.716 0.497 -7.774 1.00 1.00 H new ATOM 0 HH22 ARG A 101 -15.125 -1.211 -7.581 1.00 1.00 H new ATOM 1457 N ASN A 102 -9.830 2.634 -0.274 1.00 1.00 N ATOM 1458 CA ASN A 102 -9.832 2.561 1.183 1.00 1.00 C ATOM 1459 C ASN A 102 -9.145 3.778 1.797 1.00 1.00 C ATOM 1460 O ASN A 102 -8.442 3.665 2.801 1.00 1.00 O ATOM 1461 CB ASN A 102 -9.139 1.280 1.646 1.00 1.00 C ATOM 1462 CG ASN A 102 -9.957 0.040 1.338 1.00 1.00 C ATOM 1463 OD1 ASN A 102 -11.149 0.128 1.043 1.00 1.00 O ATOM 1464 ND2 ASN A 102 -9.322 -1.125 1.408 1.00 1.00 N ATOM 0 H ASN A 102 -8.976 2.289 -0.713 1.00 1.00 H new ATOM 0 HA ASN A 102 -10.869 2.551 1.519 1.00 1.00 H new ATOM 0 HB2 ASN A 102 -8.166 1.200 1.161 1.00 1.00 H new ATOM 0 HB3 ASN A 102 -8.957 1.335 2.719 1.00 1.00 H new ATOM 0 HD21 ASN A 102 -9.823 -1.992 1.213 1.00 1.00 H new ATOM 0 HD22 ASN A 102 -8.333 -1.153 1.656 1.00 1.00 H new ATOM 1471 N LEU A 103 -9.357 4.942 1.190 1.00 1.00 N ATOM 1472 CA LEU A 103 -8.761 6.180 1.681 1.00 1.00 C ATOM 1473 C LEU A 103 -9.836 7.229 1.946 1.00 1.00 C ATOM 1474 O LEU A 103 -10.524 7.672 1.026 1.00 1.00 O ATOM 1475 CB LEU A 103 -7.745 6.718 0.672 1.00 1.00 C ATOM 1476 CG LEU A 103 -6.515 5.835 0.459 1.00 1.00 C ATOM 1477 CD1 LEU A 103 -5.768 6.252 -0.797 1.00 1.00 C ATOM 1478 CD2 LEU A 103 -5.598 5.897 1.673 1.00 1.00 C ATOM 0 H LEU A 103 -9.937 5.054 0.358 1.00 1.00 H new ATOM 0 HA LEU A 103 -8.249 5.962 2.618 1.00 1.00 H new ATOM 0 HB2 LEU A 103 -8.245 6.855 -0.287 1.00 1.00 H new ATOM 0 HB3 LEU A 103 -7.414 7.703 1.002 1.00 1.00 H new ATOM 0 HG LEU A 103 -6.849 4.805 0.332 1.00 1.00 H new ATOM 0 HD11 LEU A 103 -4.896 5.612 -0.931 1.00 1.00 H new ATOM 0 HD12 LEU A 103 -6.426 6.155 -1.661 1.00 1.00 H new ATOM 0 HD13 LEU A 103 -5.446 7.289 -0.701 1.00 1.00 H new ATOM 0 HD21 LEU A 103 -4.728 5.263 1.504 1.00 1.00 H new ATOM 0 HD22 LEU A 103 -5.273 6.925 1.831 1.00 1.00 H new ATOM 0 HD23 LEU A 103 -6.136 5.547 2.554 1.00 1.00 H new ATOM 1490 N VAL A 104 -9.980 7.618 3.209 1.00 1.00 N ATOM 1491 CA VAL A 104 -10.979 8.612 3.593 1.00 1.00 C ATOM 1492 C VAL A 104 -10.844 9.888 2.758 1.00 1.00 C ATOM 1493 O VAL A 104 -11.554 10.063 1.768 1.00 1.00 O ATOM 1494 CB VAL A 104 -10.899 8.957 5.099 1.00 1.00 C ATOM 1495 CG1 VAL A 104 -11.742 7.984 5.908 1.00 1.00 C ATOM 1496 CG2 VAL A 104 -9.459 8.951 5.596 1.00 1.00 C ATOM 0 H VAL A 104 -9.419 7.262 3.983 1.00 1.00 H new ATOM 0 HA VAL A 104 -11.955 8.167 3.397 1.00 1.00 H new ATOM 0 HB VAL A 104 -11.293 9.964 5.233 1.00 1.00 H new ATOM 0 HG11 VAL A 104 -11.677 8.238 6.966 1.00 1.00 H new ATOM 0 HG12 VAL A 104 -12.781 8.046 5.584 1.00 1.00 H new ATOM 0 HG13 VAL A 104 -11.374 6.969 5.755 1.00 1.00 H new ATOM 0 HG21 VAL A 104 -9.439 9.197 6.658 1.00 1.00 H new ATOM 0 HG22 VAL A 104 -9.026 7.962 5.445 1.00 1.00 H new ATOM 0 HG23 VAL A 104 -8.880 9.689 5.042 1.00 1.00 H new