USER MOD reduce.3.24.130724 H: found=0, std=0, add=891, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 893 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 118 CYS SG : rot -17:sc= 0.836 USER MOD Set 1.2: A 119 GLN : amide:sc= -1.26 K(o=-0.42,f=-1.3) USER MOD Set 2.1: A 110 GLN : amide:sc= 0 X(o=-0.24,f=-0.24) USER MOD Set 2.2: A 125 MET CE :methyl 151:sc= -0.238 (180deg=-1.15) USER MOD Set 3.1: A 105 LYS NZ :NH3+ -173:sc= -0.208 (180deg=-0.364) USER MOD Set 3.2: A 108 THR OG1 : rot -89:sc= 0 USER MOD Set 4.1: A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 31:sc= 0.0308 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS :FLIP no HD1:sc= -5.28! C(o=-7!,f=-5.3!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -135:sc= 0 (180deg=-0.0245) USER MOD Single : A 33 THR OG1 : rot -160:sc= 0.00827 USER MOD Single : A 37 TYR OH : rot 180:sc= -0.554 USER MOD Single : A 39 SER OG : rot 130:sc= 0.612! USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc=-0.00148 USER MOD Single : A 50 CYS SG : rot 180:sc= -0.987 USER MOD Single : A 53 CYS SG : rot 140:sc= -2.24 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 HIS : no HD1:sc= -0.115 X(o=-0.12,f=0) USER MOD Single : A 68 THR OG1 : rot -57:sc= 0.204 USER MOD Single : A 71 CYS SG : rot 151:sc= 0.162 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -0.596 X(o=-0.6,f=-0.68) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 89 ASN : amide:sc= -1.61! C(o=-1.6!,f=-4.7!) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ -115:sc= 1.23 (180deg=-1.28) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot -25:sc= 0.155 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.382) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 117 CYS SG : rot 160:sc= 0.263 USER MOD Single : A 120 SER OG : rot 180:sc=-0.00483 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 128 SER OG : rot 92:sc= 0.676 USER MOD ----------------------------------------------------------------- ATOM 102 N THR A 10 0.476 4.611 7.308 1.00 0.00 N ATOM 103 CA THR A 10 0.050 3.598 8.266 1.00 0.00 C ATOM 104 C THR A 10 -0.254 2.277 7.570 1.00 0.00 C ATOM 105 O THR A 10 -0.964 2.242 6.565 1.00 0.00 O ATOM 106 CB THR A 10 -1.197 4.053 9.047 1.00 0.00 C ATOM 107 OG1 THR A 10 -2.206 4.508 8.138 1.00 0.00 O ATOM 108 CG2 THR A 10 -0.848 5.166 10.024 1.00 0.00 C ATOM 0 HA THR A 10 0.875 3.456 8.964 1.00 0.00 H new ATOM 0 HB THR A 10 -1.575 3.201 9.612 1.00 0.00 H new ATOM 0 HG1 THR A 10 -2.128 4.020 7.292 1.00 0.00 H new ATOM 0 HG21 THR A 10 -1.745 5.471 10.564 1.00 0.00 H new ATOM 0 HG22 THR A 10 -0.102 4.807 10.733 1.00 0.00 H new ATOM 0 HG23 THR A 10 -0.447 6.019 9.476 1.00 0.00 H new ATOM 116 N PHE A 11 0.287 1.190 8.111 1.00 0.00 N ATOM 117 CA PHE A 11 0.073 -0.135 7.542 1.00 0.00 C ATOM 118 C PHE A 11 -0.599 -1.059 8.552 1.00 0.00 C ATOM 119 O PHE A 11 -0.166 -1.161 9.700 1.00 0.00 O ATOM 120 CB PHE A 11 1.404 -0.739 7.088 1.00 0.00 C ATOM 121 CG PHE A 11 2.098 -1.533 8.158 1.00 0.00 C ATOM 122 CD1 PHE A 11 1.688 -2.821 8.459 1.00 0.00 C ATOM 123 CD2 PHE A 11 3.160 -0.990 8.862 1.00 0.00 C ATOM 124 CE1 PHE A 11 2.325 -3.554 9.443 1.00 0.00 C ATOM 125 CE2 PHE A 11 3.801 -1.718 9.847 1.00 0.00 C ATOM 126 CZ PHE A 11 3.382 -3.002 10.138 1.00 0.00 C ATOM 0 H PHE A 11 0.877 1.201 8.943 1.00 0.00 H new ATOM 0 HA PHE A 11 -0.584 -0.030 6.679 1.00 0.00 H new ATOM 0 HB2 PHE A 11 1.227 -1.383 6.226 1.00 0.00 H new ATOM 0 HB3 PHE A 11 2.063 0.063 6.756 1.00 0.00 H new ATOM 0 HD1 PHE A 11 0.861 -3.258 7.919 1.00 0.00 H new ATOM 0 HD2 PHE A 11 3.491 0.014 8.639 1.00 0.00 H new ATOM 0 HE1 PHE A 11 1.996 -4.558 9.668 1.00 0.00 H new ATOM 0 HE2 PHE A 11 4.628 -1.284 10.388 1.00 0.00 H new ATOM 0 HZ PHE A 11 3.881 -3.573 10.908 1.00 0.00 H new ATOM 136 N GLU A 12 -1.661 -1.731 8.117 1.00 0.00 N ATOM 137 CA GLU A 12 -2.394 -2.645 8.984 1.00 0.00 C ATOM 138 C GLU A 12 -2.266 -4.083 8.490 1.00 0.00 C ATOM 139 O GLU A 12 -2.393 -4.353 7.296 1.00 0.00 O ATOM 140 CB GLU A 12 -3.870 -2.247 9.052 1.00 0.00 C ATOM 141 CG GLU A 12 -4.731 -3.230 9.825 1.00 0.00 C ATOM 142 CD GLU A 12 -4.601 -3.064 11.327 1.00 0.00 C ATOM 143 OE1 GLU A 12 -3.573 -2.517 11.777 1.00 0.00 O ATOM 144 OE2 GLU A 12 -5.528 -3.481 12.052 1.00 0.00 O ATOM 0 H GLU A 12 -2.032 -1.659 7.170 1.00 0.00 H new ATOM 0 HA GLU A 12 -1.962 -2.582 9.983 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -3.951 -1.264 9.515 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -4.260 -2.155 8.038 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.774 -3.098 9.538 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -4.451 -4.247 9.550 1.00 0.00 H new ATOM 151 N GLU A 13 -2.014 -5.002 9.417 1.00 0.00 N ATOM 152 CA GLU A 13 -1.868 -6.412 9.076 1.00 0.00 C ATOM 153 C GLU A 13 -3.182 -7.160 9.280 1.00 0.00 C ATOM 154 O GLU A 13 -3.800 -7.073 10.341 1.00 0.00 O ATOM 155 CB GLU A 13 -0.766 -7.053 9.921 1.00 0.00 C ATOM 156 CG GLU A 13 -0.135 -8.274 9.275 1.00 0.00 C ATOM 157 CD GLU A 13 -0.873 -9.557 9.606 1.00 0.00 C ATOM 158 OE1 GLU A 13 -2.083 -9.638 9.306 1.00 0.00 O ATOM 159 OE2 GLU A 13 -0.242 -10.478 10.164 1.00 0.00 O ATOM 0 H GLU A 13 -1.907 -4.795 10.410 1.00 0.00 H new ATOM 0 HA GLU A 13 -1.592 -6.478 8.023 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.010 -6.312 10.113 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -1.181 -7.338 10.888 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -0.116 -8.139 8.194 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.901 -8.360 9.604 1.00 0.00 H new ATOM 166 N VAL A 14 -3.602 -7.897 8.257 1.00 0.00 N ATOM 167 CA VAL A 14 -4.842 -8.661 8.323 1.00 0.00 C ATOM 168 C VAL A 14 -4.633 -10.090 7.835 1.00 0.00 C ATOM 169 O VAL A 14 -4.353 -10.321 6.659 1.00 0.00 O ATOM 170 CB VAL A 14 -5.954 -8.002 7.486 1.00 0.00 C ATOM 171 CG1 VAL A 14 -7.245 -8.800 7.589 1.00 0.00 C ATOM 172 CG2 VAL A 14 -6.171 -6.562 7.928 1.00 0.00 C ATOM 0 H VAL A 14 -3.102 -7.981 7.372 1.00 0.00 H new ATOM 0 HA VAL A 14 -5.148 -8.678 9.369 1.00 0.00 H new ATOM 0 HB VAL A 14 -5.642 -7.995 6.442 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -8.019 -8.319 6.991 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -7.078 -9.812 7.220 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -7.565 -8.842 8.630 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -6.960 -6.112 7.326 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -6.461 -6.544 8.979 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -5.248 -5.998 7.796 1.00 0.00 H new ATOM 182 N SER A 15 -4.772 -11.047 8.747 1.00 0.00 N ATOM 183 CA SER A 15 -4.595 -12.455 8.410 1.00 0.00 C ATOM 184 C SER A 15 -5.927 -13.094 8.030 1.00 0.00 C ATOM 185 O SER A 15 -6.896 -13.036 8.788 1.00 0.00 O ATOM 186 CB SER A 15 -3.972 -13.208 9.587 1.00 0.00 C ATOM 187 OG SER A 15 -3.926 -14.602 9.334 1.00 0.00 O ATOM 0 H SER A 15 -5.006 -10.873 9.724 1.00 0.00 H new ATOM 0 HA SER A 15 -3.925 -12.517 7.553 1.00 0.00 H new ATOM 0 HB2 SER A 15 -2.964 -12.835 9.769 1.00 0.00 H new ATOM 0 HB3 SER A 15 -4.550 -13.018 10.491 1.00 0.00 H new ATOM 0 HG SER A 15 -3.522 -15.060 10.100 1.00 0.00 H new ATOM 193 N VAL A 16 -5.968 -13.705 6.850 1.00 0.00 N ATOM 194 CA VAL A 16 -7.180 -14.357 6.369 1.00 0.00 C ATOM 195 C VAL A 16 -6.859 -15.685 5.692 1.00 0.00 C ATOM 196 O VAL A 16 -5.725 -15.921 5.271 1.00 0.00 O ATOM 197 CB VAL A 16 -7.943 -13.460 5.377 1.00 0.00 C ATOM 198 CG1 VAL A 16 -8.603 -12.298 6.105 1.00 0.00 C ATOM 199 CG2 VAL A 16 -7.009 -12.955 4.287 1.00 0.00 C ATOM 0 H VAL A 16 -5.176 -13.762 6.210 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.808 -14.540 7.241 1.00 0.00 H new ATOM 0 HB VAL A 16 -8.726 -14.054 4.906 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -9.137 -11.675 5.387 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -9.305 -12.683 6.844 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -7.840 -11.702 6.605 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -7.566 -12.323 3.595 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -6.202 -12.377 4.738 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.589 -13.803 3.746 1.00 0.00 H new ATOM 209 N LEU A 17 -7.862 -16.549 5.591 1.00 0.00 N ATOM 210 CA LEU A 17 -7.687 -17.855 4.964 1.00 0.00 C ATOM 211 C LEU A 17 -8.830 -18.153 3.999 1.00 0.00 C ATOM 212 O LEU A 17 -9.989 -18.240 4.401 1.00 0.00 O ATOM 213 CB LEU A 17 -7.608 -18.948 6.032 1.00 0.00 C ATOM 214 CG LEU A 17 -6.783 -20.183 5.667 1.00 0.00 C ATOM 215 CD1 LEU A 17 -6.171 -20.803 6.914 1.00 0.00 C ATOM 216 CD2 LEU A 17 -7.643 -21.200 4.931 1.00 0.00 C ATOM 0 H LEU A 17 -8.805 -16.370 5.935 1.00 0.00 H new ATOM 0 HA LEU A 17 -6.755 -17.838 4.400 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.191 -18.512 6.940 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -8.622 -19.270 6.270 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.974 -19.874 5.005 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.588 -21.680 6.635 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.522 -20.075 7.401 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.965 -21.098 7.601 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.040 -22.072 4.679 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -8.473 -21.505 5.569 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -8.034 -20.753 4.017 1.00 0.00 H new ATOM 228 N GLY A 18 -8.493 -18.311 2.722 1.00 0.00 N ATOM 229 CA GLY A 18 -9.502 -18.600 1.720 1.00 0.00 C ATOM 230 C GLY A 18 -9.940 -17.361 0.964 1.00 0.00 C ATOM 231 O GLY A 18 -9.582 -16.242 1.331 1.00 0.00 O ATOM 0 H GLY A 18 -7.540 -18.244 2.364 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -9.110 -19.333 1.015 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -10.368 -19.053 2.202 1.00 0.00 H new ATOM 235 N PHE A 19 -10.717 -17.561 -0.096 1.00 0.00 N ATOM 236 CA PHE A 19 -11.203 -16.450 -0.907 1.00 0.00 C ATOM 237 C PHE A 19 -12.357 -15.733 -0.212 1.00 0.00 C ATOM 238 O PHE A 19 -12.547 -14.530 -0.386 1.00 0.00 O ATOM 239 CB PHE A 19 -11.652 -16.953 -2.280 1.00 0.00 C ATOM 240 CG PHE A 19 -11.874 -15.853 -3.278 1.00 0.00 C ATOM 241 CD1 PHE A 19 -12.990 -15.037 -3.194 1.00 0.00 C ATOM 242 CD2 PHE A 19 -10.965 -15.634 -4.301 1.00 0.00 C ATOM 243 CE1 PHE A 19 -13.197 -14.024 -4.112 1.00 0.00 C ATOM 244 CE2 PHE A 19 -11.165 -14.622 -5.221 1.00 0.00 C ATOM 245 CZ PHE A 19 -12.282 -13.816 -5.126 1.00 0.00 C ATOM 0 H PHE A 19 -11.023 -18.481 -0.413 1.00 0.00 H new ATOM 0 HA PHE A 19 -10.385 -15.742 -1.037 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -10.901 -17.640 -2.670 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -12.575 -17.521 -2.166 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -13.707 -15.194 -2.402 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -10.090 -16.262 -4.380 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -14.073 -13.396 -4.036 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -10.449 -14.462 -6.013 1.00 0.00 H new ATOM 0 HZ PHE A 19 -12.440 -13.024 -5.843 1.00 0.00 H new ATOM 255 N GLU A 20 -13.124 -16.483 0.574 1.00 0.00 N ATOM 256 CA GLU A 20 -14.260 -15.919 1.293 1.00 0.00 C ATOM 257 C GLU A 20 -13.816 -14.775 2.201 1.00 0.00 C ATOM 258 O GLU A 20 -14.172 -13.619 1.978 1.00 0.00 O ATOM 259 CB GLU A 20 -14.956 -17.001 2.121 1.00 0.00 C ATOM 260 CG GLU A 20 -15.803 -17.951 1.292 1.00 0.00 C ATOM 261 CD GLU A 20 -16.087 -19.257 2.008 1.00 0.00 C ATOM 262 OE1 GLU A 20 -16.774 -19.225 3.051 1.00 0.00 O ATOM 263 OE2 GLU A 20 -15.622 -20.311 1.526 1.00 0.00 O ATOM 0 H GLU A 20 -12.979 -17.481 0.729 1.00 0.00 H new ATOM 0 HA GLU A 20 -14.963 -15.525 0.559 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -14.202 -17.575 2.660 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -15.588 -16.523 2.870 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -16.746 -17.466 1.042 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -15.293 -18.160 0.352 1.00 0.00 H new ATOM 270 N GLU A 21 -13.036 -15.109 3.225 1.00 0.00 N ATOM 271 CA GLU A 21 -12.545 -14.111 4.167 1.00 0.00 C ATOM 272 C GLU A 21 -11.778 -13.009 3.442 1.00 0.00 C ATOM 273 O GLU A 21 -11.996 -11.822 3.684 1.00 0.00 O ATOM 274 CB GLU A 21 -11.646 -14.767 5.217 1.00 0.00 C ATOM 275 CG GLU A 21 -12.389 -15.702 6.156 1.00 0.00 C ATOM 276 CD GLU A 21 -13.072 -14.965 7.293 1.00 0.00 C ATOM 277 OE1 GLU A 21 -12.379 -14.610 8.270 1.00 0.00 O ATOM 278 OE2 GLU A 21 -14.298 -14.745 7.206 1.00 0.00 O ATOM 0 H GLU A 21 -12.731 -16.062 3.423 1.00 0.00 H new ATOM 0 HA GLU A 21 -13.406 -13.664 4.664 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.858 -15.325 4.711 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -11.159 -13.988 5.804 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -13.134 -16.262 5.591 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -11.689 -16.429 6.568 1.00 0.00 H new ATOM 285 N PHE A 22 -10.878 -13.411 2.551 1.00 0.00 N ATOM 286 CA PHE A 22 -10.076 -12.459 1.790 1.00 0.00 C ATOM 287 C PHE A 22 -10.955 -11.366 1.190 1.00 0.00 C ATOM 288 O PHE A 22 -10.671 -10.177 1.336 1.00 0.00 O ATOM 289 CB PHE A 22 -9.308 -13.179 0.680 1.00 0.00 C ATOM 290 CG PHE A 22 -8.798 -12.258 -0.391 1.00 0.00 C ATOM 291 CD1 PHE A 22 -8.115 -11.098 -0.057 1.00 0.00 C ATOM 292 CD2 PHE A 22 -8.999 -12.550 -1.730 1.00 0.00 C ATOM 293 CE1 PHE A 22 -7.645 -10.248 -1.040 1.00 0.00 C ATOM 294 CE2 PHE A 22 -8.531 -11.704 -2.717 1.00 0.00 C ATOM 295 CZ PHE A 22 -7.852 -10.552 -2.372 1.00 0.00 C ATOM 0 H PHE A 22 -10.685 -14.390 2.338 1.00 0.00 H new ATOM 0 HA PHE A 22 -9.364 -11.995 2.472 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -8.466 -13.713 1.120 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -9.958 -13.927 0.226 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -7.949 -10.856 0.982 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -9.528 -13.450 -2.006 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -7.116 -9.347 -0.767 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -8.696 -11.943 -3.757 1.00 0.00 H new ATOM 0 HZ PHE A 22 -7.484 -9.890 -3.142 1.00 0.00 H new ATOM 305 N ASP A 23 -12.022 -11.777 0.515 1.00 0.00 N ATOM 306 CA ASP A 23 -12.944 -10.833 -0.108 1.00 0.00 C ATOM 307 C ASP A 23 -13.381 -9.763 0.888 1.00 0.00 C ATOM 308 O ASP A 23 -13.319 -8.568 0.599 1.00 0.00 O ATOM 309 CB ASP A 23 -14.168 -11.569 -0.655 1.00 0.00 C ATOM 310 CG ASP A 23 -15.093 -10.654 -1.433 1.00 0.00 C ATOM 311 OD1 ASP A 23 -14.659 -10.117 -2.474 1.00 0.00 O ATOM 312 OD2 ASP A 23 -16.251 -10.475 -1.002 1.00 0.00 O ATOM 0 H ASP A 23 -12.271 -12.758 0.385 1.00 0.00 H new ATOM 0 HA ASP A 23 -12.424 -10.345 -0.933 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -13.840 -12.384 -1.301 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -14.718 -12.019 0.172 1.00 0.00 H new ATOM 317 N LYS A 24 -13.823 -10.201 2.062 1.00 0.00 N ATOM 318 CA LYS A 24 -14.271 -9.282 3.102 1.00 0.00 C ATOM 319 C LYS A 24 -13.176 -8.279 3.451 1.00 0.00 C ATOM 320 O LYS A 24 -13.348 -7.073 3.280 1.00 0.00 O ATOM 321 CB LYS A 24 -14.684 -10.059 4.355 1.00 0.00 C ATOM 322 CG LYS A 24 -16.147 -10.465 4.363 1.00 0.00 C ATOM 323 CD LYS A 24 -16.451 -11.430 5.497 1.00 0.00 C ATOM 324 CE LYS A 24 -16.653 -10.696 6.814 1.00 0.00 C ATOM 325 NZ LYS A 24 -16.882 -11.638 7.945 1.00 0.00 N ATOM 0 H LYS A 24 -13.881 -11.187 2.317 1.00 0.00 H new ATOM 0 HA LYS A 24 -15.133 -8.734 2.721 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -14.067 -10.954 4.438 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -14.480 -9.449 5.235 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -16.772 -9.577 4.462 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -16.402 -10.929 3.410 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -17.346 -12.004 5.258 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -15.633 -12.143 5.598 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -15.778 -10.081 7.025 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -17.504 -10.020 6.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -17.015 -11.099 8.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -17.732 -12.207 7.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -16.059 -12.266 8.045 1.00 0.00 H new ATOM 339 N ALA A 25 -12.048 -8.787 3.939 1.00 0.00 N ATOM 340 CA ALA A 25 -10.924 -7.936 4.308 1.00 0.00 C ATOM 341 C ALA A 25 -10.611 -6.931 3.204 1.00 0.00 C ATOM 342 O ALA A 25 -10.132 -5.829 3.472 1.00 0.00 O ATOM 343 CB ALA A 25 -9.699 -8.784 4.615 1.00 0.00 C ATOM 0 H ALA A 25 -11.889 -9.784 4.088 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.200 -7.379 5.203 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -8.867 -8.135 4.889 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.921 -9.458 5.442 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.430 -9.367 3.734 1.00 0.00 H new ATOM 349 N VAL A 26 -10.884 -7.318 1.963 1.00 0.00 N ATOM 350 CA VAL A 26 -10.632 -6.451 0.818 1.00 0.00 C ATOM 351 C VAL A 26 -11.687 -5.356 0.716 1.00 0.00 C ATOM 352 O VAL A 26 -11.380 -4.169 0.831 1.00 0.00 O ATOM 353 CB VAL A 26 -10.608 -7.251 -0.498 1.00 0.00 C ATOM 354 CG1 VAL A 26 -10.632 -6.311 -1.694 1.00 0.00 C ATOM 355 CG2 VAL A 26 -9.389 -8.159 -0.547 1.00 0.00 C ATOM 0 H VAL A 26 -11.280 -8.227 1.724 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.654 -5.996 0.975 1.00 0.00 H new ATOM 0 HB VAL A 26 -11.500 -7.876 -0.540 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -10.615 -6.894 -2.615 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -11.539 -5.707 -1.664 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -9.760 -5.658 -1.661 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.388 -8.717 -1.484 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.483 -7.556 -0.483 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.421 -8.856 0.290 1.00 0.00 H new ATOM 365 N LYS A 27 -12.934 -5.761 0.499 1.00 0.00 N ATOM 366 CA LYS A 27 -14.037 -4.815 0.383 1.00 0.00 C ATOM 367 C LYS A 27 -14.099 -3.899 1.600 1.00 0.00 C ATOM 368 O LYS A 27 -14.526 -2.749 1.501 1.00 0.00 O ATOM 369 CB LYS A 27 -15.363 -5.564 0.226 1.00 0.00 C ATOM 370 CG LYS A 27 -16.064 -5.842 1.545 1.00 0.00 C ATOM 371 CD LYS A 27 -17.396 -6.542 1.332 1.00 0.00 C ATOM 372 CE LYS A 27 -18.490 -5.555 0.956 1.00 0.00 C ATOM 373 NZ LYS A 27 -19.558 -6.195 0.139 1.00 0.00 N ATOM 0 H LYS A 27 -13.206 -6.739 0.400 1.00 0.00 H new ATOM 0 HA LYS A 27 -13.866 -4.202 -0.502 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -16.027 -4.981 -0.413 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -15.179 -6.509 -0.284 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -15.424 -6.460 2.175 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -16.226 -4.904 2.077 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -17.294 -7.290 0.546 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -17.679 -7.072 2.241 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -18.928 -5.136 1.862 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -18.055 -4.725 0.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -20.285 -5.489 -0.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -19.145 -6.573 -0.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -19.991 -6.970 0.680 1.00 0.00 H new ATOM 387 N GLU A 28 -13.669 -4.416 2.747 1.00 0.00 N ATOM 388 CA GLU A 28 -13.675 -3.642 3.983 1.00 0.00 C ATOM 389 C GLU A 28 -12.679 -2.489 3.908 1.00 0.00 C ATOM 390 O GLU A 28 -12.924 -1.407 4.443 1.00 0.00 O ATOM 391 CB GLU A 28 -13.342 -4.541 5.176 1.00 0.00 C ATOM 392 CG GLU A 28 -14.556 -5.233 5.774 1.00 0.00 C ATOM 393 CD GLU A 28 -14.242 -5.933 7.082 1.00 0.00 C ATOM 394 OE1 GLU A 28 -13.372 -6.829 7.081 1.00 0.00 O ATOM 395 OE2 GLU A 28 -14.866 -5.586 8.106 1.00 0.00 O ATOM 0 H GLU A 28 -13.312 -5.367 2.846 1.00 0.00 H new ATOM 0 HA GLU A 28 -14.674 -3.228 4.117 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -12.622 -5.296 4.861 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -12.859 -3.942 5.948 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -15.344 -4.498 5.939 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -14.943 -5.960 5.061 1.00 0.00 H new ATOM 402 N HIS A 29 -11.555 -2.728 3.242 1.00 0.00 N ATOM 403 CA HIS A 29 -10.521 -1.710 3.096 1.00 0.00 C ATOM 404 C HIS A 29 -10.476 -1.180 1.666 1.00 0.00 C ATOM 405 O HIS A 29 -9.465 -0.633 1.228 1.00 0.00 O ATOM 406 CB HIS A 29 -9.156 -2.279 3.484 1.00 0.00 C ATOM 407 CG HIS A 29 -9.166 -3.028 4.781 1.00 0.00 C ATOM 408 ND1 HIS A 29 -8.653 -4.236 5.110 1.00 0.00 N flip ATOM 409 CD2 HIS A 29 -9.758 -2.540 5.927 1.00 0.00 C flip ATOM 410 CE1 HIS A 29 -8.940 -4.454 6.435 1.00 0.00 C flip ATOM 411 NE2 HIS A 29 -9.607 -3.415 6.905 1.00 0.00 N flip ATOM 0 H HIS A 29 -11.336 -3.618 2.794 1.00 0.00 H new ATOM 0 HA HIS A 29 -10.765 -0.883 3.763 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -8.810 -2.944 2.693 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -8.437 -1.463 3.551 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -10.266 -1.591 6.012 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -8.665 -5.332 7.001 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -9.947 -3.307 7.860 1.00 0.00 H new ATOM 420 N GLU A 30 -11.580 -1.348 0.943 1.00 0.00 N ATOM 421 CA GLU A 30 -11.665 -0.889 -0.438 1.00 0.00 C ATOM 422 C GLU A 30 -11.467 0.622 -0.522 1.00 0.00 C ATOM 423 O GLU A 30 -11.300 1.178 -1.607 1.00 0.00 O ATOM 424 CB GLU A 30 -13.017 -1.272 -1.044 1.00 0.00 C ATOM 425 CG GLU A 30 -14.150 -0.346 -0.636 1.00 0.00 C ATOM 426 CD GLU A 30 -15.466 -0.708 -1.298 1.00 0.00 C ATOM 427 OE1 GLU A 30 -15.870 -1.887 -1.206 1.00 0.00 O ATOM 428 OE2 GLU A 30 -16.091 0.185 -1.906 1.00 0.00 O ATOM 0 H GLU A 30 -12.427 -1.798 1.291 1.00 0.00 H new ATOM 0 HA GLU A 30 -10.871 -1.374 -1.005 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -12.932 -1.272 -2.131 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -13.265 -2.290 -0.744 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -14.271 -0.381 0.447 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -13.887 0.680 -0.895 1.00 0.00 H new ATOM 435 N SER A 31 -11.488 1.280 0.633 1.00 0.00 N ATOM 436 CA SER A 31 -11.316 2.727 0.691 1.00 0.00 C ATOM 437 C SER A 31 -9.844 3.105 0.556 1.00 0.00 C ATOM 438 O SER A 31 -9.497 4.066 -0.132 1.00 0.00 O ATOM 439 CB SER A 31 -11.876 3.277 2.004 1.00 0.00 C ATOM 440 OG SER A 31 -13.250 3.603 1.875 1.00 0.00 O ATOM 0 H SER A 31 -11.622 0.834 1.541 1.00 0.00 H new ATOM 0 HA SER A 31 -11.865 3.166 -0.142 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.747 2.539 2.796 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.315 4.163 2.300 1.00 0.00 H new ATOM 0 HG SER A 31 -13.585 3.951 2.728 1.00 0.00 H new ATOM 446 N LYS A 32 -8.981 2.342 1.217 1.00 0.00 N ATOM 447 CA LYS A 32 -7.545 2.593 1.172 1.00 0.00 C ATOM 448 C LYS A 32 -6.821 1.481 0.420 1.00 0.00 C ATOM 449 O LYS A 32 -7.393 0.423 0.153 1.00 0.00 O ATOM 450 CB LYS A 32 -6.983 2.714 2.590 1.00 0.00 C ATOM 451 CG LYS A 32 -7.698 3.748 3.442 1.00 0.00 C ATOM 452 CD LYS A 32 -8.878 3.140 4.182 1.00 0.00 C ATOM 453 CE LYS A 32 -9.369 4.054 5.294 1.00 0.00 C ATOM 454 NZ LYS A 32 -10.032 5.275 4.757 1.00 0.00 N ATOM 0 H LYS A 32 -9.251 1.543 1.791 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.382 3.531 0.642 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.048 1.743 3.081 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -5.926 2.972 2.532 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -6.998 4.176 4.160 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -8.046 4.565 2.809 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -9.690 2.950 3.480 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -8.588 2.177 4.602 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.069 3.510 5.929 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -8.528 4.345 5.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -9.694 6.110 5.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -9.803 5.379 3.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -11.062 5.190 4.872 1.00 0.00 H new ATOM 468 N THR A 33 -5.559 1.725 0.081 1.00 0.00 N ATOM 469 CA THR A 33 -4.758 0.745 -0.639 1.00 0.00 C ATOM 470 C THR A 33 -4.802 -0.615 0.049 1.00 0.00 C ATOM 471 O THR A 33 -4.833 -0.698 1.277 1.00 0.00 O ATOM 472 CB THR A 33 -3.291 1.198 -0.760 1.00 0.00 C ATOM 473 OG1 THR A 33 -3.227 2.497 -1.360 1.00 0.00 O ATOM 474 CG2 THR A 33 -2.486 0.210 -1.592 1.00 0.00 C ATOM 0 H THR A 33 -5.070 2.594 0.294 1.00 0.00 H new ATOM 0 HA THR A 33 -5.188 0.658 -1.637 1.00 0.00 H new ATOM 0 HB THR A 33 -2.863 1.239 0.242 1.00 0.00 H new ATOM 0 HG1 THR A 33 -2.330 2.644 -1.726 1.00 0.00 H new ATOM 0 HG21 THR A 33 -1.453 0.551 -1.663 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.512 -0.771 -1.118 1.00 0.00 H new ATOM 0 HG23 THR A 33 -2.915 0.141 -2.592 1.00 0.00 H new ATOM 482 N ILE A 34 -4.806 -1.677 -0.749 1.00 0.00 N ATOM 483 CA ILE A 34 -4.845 -3.033 -0.215 1.00 0.00 C ATOM 484 C ILE A 34 -3.739 -3.893 -0.818 1.00 0.00 C ATOM 485 O ILE A 34 -3.407 -3.759 -1.996 1.00 0.00 O ATOM 486 CB ILE A 34 -6.205 -3.704 -0.482 1.00 0.00 C ATOM 487 CG1 ILE A 34 -7.276 -3.119 0.440 1.00 0.00 C ATOM 488 CG2 ILE A 34 -6.099 -5.210 -0.292 1.00 0.00 C ATOM 489 CD1 ILE A 34 -8.690 -3.393 -0.025 1.00 0.00 C ATOM 0 H ILE A 34 -4.783 -1.625 -1.767 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.694 -2.953 0.861 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.494 -3.508 -1.514 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.146 -3.530 1.441 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.130 -2.042 0.516 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -7.068 -5.670 -0.484 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -5.362 -5.613 -0.986 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -5.791 -5.427 0.731 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -9.396 -2.949 0.677 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -8.839 -2.958 -1.013 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -8.855 -4.469 -0.074 1.00 0.00 H new ATOM 501 N PHE A 35 -3.175 -4.778 -0.003 1.00 0.00 N ATOM 502 CA PHE A 35 -2.107 -5.662 -0.456 1.00 0.00 C ATOM 503 C PHE A 35 -2.385 -7.105 -0.047 1.00 0.00 C ATOM 504 O PHE A 35 -2.298 -7.455 1.130 1.00 0.00 O ATOM 505 CB PHE A 35 -0.763 -5.207 0.116 1.00 0.00 C ATOM 506 CG PHE A 35 -0.142 -4.069 -0.642 1.00 0.00 C ATOM 507 CD1 PHE A 35 0.534 -4.296 -1.830 1.00 0.00 C ATOM 508 CD2 PHE A 35 -0.236 -2.770 -0.167 1.00 0.00 C ATOM 509 CE1 PHE A 35 1.106 -3.250 -2.529 1.00 0.00 C ATOM 510 CE2 PHE A 35 0.334 -1.720 -0.862 1.00 0.00 C ATOM 511 CZ PHE A 35 1.005 -1.961 -2.045 1.00 0.00 C ATOM 0 H PHE A 35 -3.439 -4.902 0.974 1.00 0.00 H new ATOM 0 HA PHE A 35 -2.066 -5.613 -1.544 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.902 -4.908 1.155 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -0.073 -6.051 0.117 1.00 0.00 H new ATOM 0 HD1 PHE A 35 0.615 -5.302 -2.214 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -0.761 -2.576 0.757 1.00 0.00 H new ATOM 0 HE1 PHE A 35 1.632 -3.441 -3.453 1.00 0.00 H new ATOM 0 HE2 PHE A 35 0.255 -0.713 -0.481 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.450 -1.142 -2.591 1.00 0.00 H new ATOM 521 N ALA A 36 -2.721 -7.938 -1.027 1.00 0.00 N ATOM 522 CA ALA A 36 -3.010 -9.343 -0.769 1.00 0.00 C ATOM 523 C ALA A 36 -1.780 -10.210 -1.012 1.00 0.00 C ATOM 524 O ALA A 36 -1.229 -10.229 -2.113 1.00 0.00 O ATOM 525 CB ALA A 36 -4.169 -9.811 -1.638 1.00 0.00 C ATOM 0 H ALA A 36 -2.800 -7.664 -2.006 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.292 -9.444 0.279 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -4.374 -10.862 -1.435 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.055 -9.218 -1.413 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.908 -9.688 -2.689 1.00 0.00 H new ATOM 531 N TYR A 37 -1.354 -10.927 0.021 1.00 0.00 N ATOM 532 CA TYR A 37 -0.186 -11.795 -0.080 1.00 0.00 C ATOM 533 C TYR A 37 -0.596 -13.264 -0.064 1.00 0.00 C ATOM 534 O TYR A 37 -0.708 -13.878 0.998 1.00 0.00 O ATOM 535 CB TYR A 37 0.785 -11.513 1.068 1.00 0.00 C ATOM 536 CG TYR A 37 2.106 -12.238 0.935 1.00 0.00 C ATOM 537 CD1 TYR A 37 2.907 -12.063 -0.187 1.00 0.00 C ATOM 538 CD2 TYR A 37 2.552 -13.098 1.930 1.00 0.00 C ATOM 539 CE1 TYR A 37 4.114 -12.723 -0.313 1.00 0.00 C ATOM 540 CE2 TYR A 37 3.757 -13.762 1.813 1.00 0.00 C ATOM 541 CZ TYR A 37 4.535 -13.571 0.690 1.00 0.00 C ATOM 542 OH TYR A 37 5.736 -14.232 0.569 1.00 0.00 O ATOM 0 H TYR A 37 -1.800 -10.925 0.939 1.00 0.00 H new ATOM 0 HA TYR A 37 0.310 -11.585 -1.028 1.00 0.00 H new ATOM 0 HB2 TYR A 37 0.972 -10.440 1.119 1.00 0.00 H new ATOM 0 HB3 TYR A 37 0.315 -11.800 2.009 1.00 0.00 H new ATOM 0 HD1 TYR A 37 2.580 -11.400 -0.974 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.946 -13.250 2.811 1.00 0.00 H new ATOM 0 HE1 TYR A 37 4.724 -12.576 -1.192 1.00 0.00 H new ATOM 0 HE2 TYR A 37 4.089 -14.427 2.596 1.00 0.00 H new ATOM 0 HH TYR A 37 5.884 -14.789 1.362 1.00 0.00 H new ATOM 552 N PHE A 38 -0.818 -13.822 -1.249 1.00 0.00 N ATOM 553 CA PHE A 38 -1.216 -15.220 -1.373 1.00 0.00 C ATOM 554 C PHE A 38 -0.011 -16.144 -1.229 1.00 0.00 C ATOM 555 O PHE A 38 0.845 -16.208 -2.112 1.00 0.00 O ATOM 556 CB PHE A 38 -1.898 -15.460 -2.722 1.00 0.00 C ATOM 557 CG PHE A 38 -2.877 -14.384 -3.099 1.00 0.00 C ATOM 558 CD1 PHE A 38 -4.024 -14.179 -2.349 1.00 0.00 C ATOM 559 CD2 PHE A 38 -2.650 -13.579 -4.203 1.00 0.00 C ATOM 560 CE1 PHE A 38 -4.926 -13.190 -2.692 1.00 0.00 C ATOM 561 CE2 PHE A 38 -3.549 -12.588 -4.551 1.00 0.00 C ATOM 562 CZ PHE A 38 -4.689 -12.394 -3.796 1.00 0.00 C ATOM 0 H PHE A 38 -0.729 -13.328 -2.137 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.920 -15.443 -0.572 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.136 -15.534 -3.497 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.417 -16.418 -2.692 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -4.215 -14.800 -1.486 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.761 -13.727 -4.798 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -5.815 -13.039 -2.098 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -3.360 -11.966 -5.413 1.00 0.00 H new ATOM 0 HZ PHE A 38 -5.394 -11.622 -4.068 1.00 0.00 H new ATOM 572 N SER A 39 0.050 -16.857 -0.109 1.00 0.00 N ATOM 573 CA SER A 39 1.153 -17.774 0.154 1.00 0.00 C ATOM 574 C SER A 39 0.635 -19.106 0.690 1.00 0.00 C ATOM 575 O SER A 39 -0.548 -19.247 0.996 1.00 0.00 O ATOM 576 CB SER A 39 2.132 -17.155 1.153 1.00 0.00 C ATOM 577 OG SER A 39 2.573 -15.882 0.713 1.00 0.00 O ATOM 0 H SER A 39 -0.651 -16.817 0.631 1.00 0.00 H new ATOM 0 HA SER A 39 1.673 -17.958 -0.786 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.651 -17.060 2.127 1.00 0.00 H new ATOM 0 HB3 SER A 39 2.989 -17.815 1.283 1.00 0.00 H new ATOM 0 HG SER A 39 2.469 -15.231 1.438 1.00 0.00 H new ATOM 583 N GLY A 40 1.533 -20.080 0.802 1.00 0.00 N ATOM 584 CA GLY A 40 1.149 -21.388 1.301 1.00 0.00 C ATOM 585 C GLY A 40 0.744 -21.355 2.762 1.00 0.00 C ATOM 586 O GLY A 40 1.237 -20.531 3.531 1.00 0.00 O ATOM 0 H GLY A 40 2.519 -19.987 0.556 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.320 -21.772 0.706 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.981 -22.081 1.173 1.00 0.00 H new ATOM 590 N SER A 41 -0.158 -22.254 3.144 1.00 0.00 N ATOM 591 CA SER A 41 -0.633 -22.321 4.521 1.00 0.00 C ATOM 592 C SER A 41 0.534 -22.463 5.493 1.00 0.00 C ATOM 593 O SER A 41 1.632 -22.868 5.108 1.00 0.00 O ATOM 594 CB SER A 41 -1.600 -23.494 4.692 1.00 0.00 C ATOM 595 OG SER A 41 -2.385 -23.341 5.862 1.00 0.00 O ATOM 0 H SER A 41 -0.574 -22.945 2.520 1.00 0.00 H new ATOM 0 HA SER A 41 -1.157 -21.392 4.744 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.251 -23.563 3.820 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.039 -24.427 4.746 1.00 0.00 H new ATOM 0 HG SER A 41 -2.996 -24.102 5.948 1.00 0.00 H new ATOM 601 N LYS A 42 0.289 -22.128 6.755 1.00 0.00 N ATOM 602 CA LYS A 42 1.318 -22.219 7.785 1.00 0.00 C ATOM 603 C LYS A 42 1.226 -23.547 8.529 1.00 0.00 C ATOM 604 O LYS A 42 0.140 -23.980 8.914 1.00 0.00 O ATOM 605 CB LYS A 42 1.184 -21.058 8.773 1.00 0.00 C ATOM 606 CG LYS A 42 1.301 -19.690 8.123 1.00 0.00 C ATOM 607 CD LYS A 42 1.419 -18.588 9.162 1.00 0.00 C ATOM 608 CE LYS A 42 0.077 -18.291 9.815 1.00 0.00 C ATOM 609 NZ LYS A 42 0.240 -17.667 11.157 1.00 0.00 N ATOM 0 H LYS A 42 -0.614 -21.791 7.090 1.00 0.00 H new ATOM 0 HA LYS A 42 2.291 -22.162 7.298 1.00 0.00 H new ATOM 0 HB2 LYS A 42 0.220 -21.130 9.277 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.953 -21.154 9.540 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.173 -19.670 7.469 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.428 -19.508 7.496 1.00 0.00 H new ATOM 0 HD2 LYS A 42 2.139 -18.882 9.926 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.804 -17.683 8.692 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -0.500 -17.626 9.173 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -0.493 -19.215 9.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -0.696 -17.480 11.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 0.769 -18.312 11.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 0.762 -16.772 11.063 1.00 0.00 H new ATOM 693 N SER A 48 5.172 -21.109 6.269 1.00 0.00 N ATOM 694 CA SER A 48 4.717 -21.694 5.013 1.00 0.00 C ATOM 695 C SER A 48 5.635 -22.833 4.581 1.00 0.00 C ATOM 696 O SER A 48 6.851 -22.664 4.486 1.00 0.00 O ATOM 697 CB SER A 48 4.662 -20.625 3.919 1.00 0.00 C ATOM 698 OG SER A 48 3.879 -21.060 2.821 1.00 0.00 O ATOM 0 HA SER A 48 3.716 -22.096 5.169 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.244 -19.704 4.326 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.672 -20.394 3.581 1.00 0.00 H new ATOM 0 HG SER A 48 3.858 -20.359 2.136 1.00 0.00 H new ATOM 704 N TRP A 49 5.044 -23.994 4.320 1.00 0.00 N ATOM 705 CA TRP A 49 5.808 -25.162 3.898 1.00 0.00 C ATOM 706 C TRP A 49 6.894 -24.772 2.902 1.00 0.00 C ATOM 707 O TRP A 49 8.012 -25.286 2.955 1.00 0.00 O ATOM 708 CB TRP A 49 4.879 -26.207 3.276 1.00 0.00 C ATOM 709 CG TRP A 49 3.805 -25.610 2.418 1.00 0.00 C ATOM 710 CD1 TRP A 49 2.539 -25.274 2.806 1.00 0.00 C ATOM 711 CD2 TRP A 49 3.902 -25.282 1.028 1.00 0.00 C ATOM 712 NE1 TRP A 49 1.843 -24.756 1.740 1.00 0.00 N ATOM 713 CE2 TRP A 49 2.657 -24.749 0.638 1.00 0.00 C ATOM 714 CE3 TRP A 49 4.919 -25.383 0.076 1.00 0.00 C ATOM 715 CZ2 TRP A 49 2.406 -24.322 -0.663 1.00 0.00 C ATOM 716 CZ3 TRP A 49 4.668 -24.959 -1.215 1.00 0.00 C ATOM 717 CH2 TRP A 49 3.420 -24.434 -1.575 1.00 0.00 C ATOM 0 H TRP A 49 4.039 -24.151 4.393 1.00 0.00 H new ATOM 0 HA TRP A 49 6.287 -25.590 4.779 1.00 0.00 H new ATOM 0 HB2 TRP A 49 5.471 -26.898 2.676 1.00 0.00 H new ATOM 0 HB3 TRP A 49 4.416 -26.791 4.072 1.00 0.00 H new ATOM 0 HD1 TRP A 49 2.143 -25.397 3.803 1.00 0.00 H new ATOM 0 HE1 TRP A 49 0.877 -24.430 1.765 1.00 0.00 H new ATOM 0 HE3 TRP A 49 5.885 -25.785 0.344 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 1.445 -23.917 -0.943 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 5.447 -25.034 -1.959 1.00 0.00 H new ATOM 0 HH2 TRP A 49 3.255 -24.111 -2.592 1.00 0.00 H new ATOM 728 N CYS A 50 6.559 -23.862 1.994 1.00 0.00 N ATOM 729 CA CYS A 50 7.506 -23.403 0.985 1.00 0.00 C ATOM 730 C CYS A 50 8.651 -22.626 1.627 1.00 0.00 C ATOM 731 O CYS A 50 8.449 -21.788 2.506 1.00 0.00 O ATOM 732 CB CYS A 50 6.798 -22.529 -0.050 1.00 0.00 C ATOM 733 SG CYS A 50 7.889 -21.871 -1.333 1.00 0.00 S ATOM 0 H CYS A 50 5.638 -23.427 1.936 1.00 0.00 H new ATOM 0 HA CYS A 50 7.920 -24.279 0.487 1.00 0.00 H new ATOM 0 HB2 CYS A 50 6.009 -23.113 -0.524 1.00 0.00 H new ATOM 0 HB3 CYS A 50 6.315 -21.697 0.462 1.00 0.00 H new ATOM 0 HG CYS A 50 7.197 -21.147 -2.162 1.00 0.00 H new ATOM 739 N PRO A 51 9.883 -22.910 1.180 1.00 0.00 N ATOM 740 CA PRO A 51 11.085 -22.249 1.698 1.00 0.00 C ATOM 741 C PRO A 51 11.165 -20.784 1.283 1.00 0.00 C ATOM 742 O PRO A 51 11.779 -19.967 1.970 1.00 0.00 O ATOM 743 CB PRO A 51 12.229 -23.047 1.067 1.00 0.00 C ATOM 744 CG PRO A 51 11.645 -23.627 -0.175 1.00 0.00 C ATOM 745 CD PRO A 51 10.198 -23.897 0.134 1.00 0.00 C ATOM 0 HA PRO A 51 11.106 -22.237 2.788 1.00 0.00 H new ATOM 0 HB2 PRO A 51 13.082 -22.406 0.842 1.00 0.00 H new ATOM 0 HB3 PRO A 51 12.585 -23.828 1.739 1.00 0.00 H new ATOM 0 HG2 PRO A 51 11.743 -22.936 -1.012 1.00 0.00 H new ATOM 0 HG3 PRO A 51 12.161 -24.544 -0.457 1.00 0.00 H new ATOM 0 HD2 PRO A 51 9.568 -23.765 -0.746 1.00 0.00 H new ATOM 0 HD3 PRO A 51 10.046 -24.918 0.485 1.00 0.00 H new ATOM 753 N ASP A 52 10.542 -20.458 0.155 1.00 0.00 N ATOM 754 CA ASP A 52 10.542 -19.090 -0.350 1.00 0.00 C ATOM 755 C ASP A 52 9.590 -18.213 0.456 1.00 0.00 C ATOM 756 O ASP A 52 9.980 -17.163 0.968 1.00 0.00 O ATOM 757 CB ASP A 52 10.146 -19.070 -1.828 1.00 0.00 C ATOM 758 CG ASP A 52 10.960 -20.043 -2.658 1.00 0.00 C ATOM 759 OD1 ASP A 52 10.837 -21.264 -2.430 1.00 0.00 O ATOM 760 OD2 ASP A 52 11.720 -19.582 -3.536 1.00 0.00 O ATOM 0 H ASP A 52 10.031 -21.122 -0.426 1.00 0.00 H new ATOM 0 HA ASP A 52 11.551 -18.690 -0.246 1.00 0.00 H new ATOM 0 HB2 ASP A 52 9.088 -19.314 -1.921 1.00 0.00 H new ATOM 0 HB3 ASP A 52 10.277 -18.062 -2.223 1.00 0.00 H new ATOM 765 N CYS A 53 8.340 -18.649 0.564 1.00 0.00 N ATOM 766 CA CYS A 53 7.331 -17.902 1.307 1.00 0.00 C ATOM 767 C CYS A 53 7.862 -17.481 2.673 1.00 0.00 C ATOM 768 O CYS A 53 7.341 -16.556 3.296 1.00 0.00 O ATOM 769 CB CYS A 53 6.065 -18.744 1.476 1.00 0.00 C ATOM 770 SG CYS A 53 5.027 -18.822 -0.002 1.00 0.00 S ATOM 0 H CYS A 53 8.001 -19.516 0.147 1.00 0.00 H new ATOM 0 HA CYS A 53 7.088 -17.004 0.739 1.00 0.00 H new ATOM 0 HB2 CYS A 53 6.351 -19.757 1.760 1.00 0.00 H new ATOM 0 HB3 CYS A 53 5.477 -18.336 2.298 1.00 0.00 H new ATOM 0 HG CYS A 53 4.562 -20.028 -0.143 1.00 0.00 H new ATOM 776 N VAL A 54 8.902 -18.168 3.135 1.00 0.00 N ATOM 777 CA VAL A 54 9.505 -17.866 4.428 1.00 0.00 C ATOM 778 C VAL A 54 10.593 -16.806 4.294 1.00 0.00 C ATOM 779 O VAL A 54 10.655 -15.863 5.082 1.00 0.00 O ATOM 780 CB VAL A 54 10.108 -19.127 5.075 1.00 0.00 C ATOM 781 CG1 VAL A 54 10.658 -18.807 6.456 1.00 0.00 C ATOM 782 CG2 VAL A 54 9.070 -20.236 5.149 1.00 0.00 C ATOM 0 H VAL A 54 9.345 -18.938 2.633 1.00 0.00 H new ATOM 0 HA VAL A 54 8.708 -17.485 5.067 1.00 0.00 H new ATOM 0 HB VAL A 54 10.933 -19.474 4.453 1.00 0.00 H new ATOM 0 HG11 VAL A 54 11.080 -19.710 6.898 1.00 0.00 H new ATOM 0 HG12 VAL A 54 11.435 -18.047 6.371 1.00 0.00 H new ATOM 0 HG13 VAL A 54 9.854 -18.434 7.090 1.00 0.00 H new ATOM 0 HG21 VAL A 54 9.513 -21.119 5.609 1.00 0.00 H new ATOM 0 HG22 VAL A 54 8.223 -19.902 5.748 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.729 -20.483 4.144 1.00 0.00 H new ATOM 792 N GLU A 55 11.448 -16.969 3.289 1.00 0.00 N ATOM 793 CA GLU A 55 12.535 -16.026 3.052 1.00 0.00 C ATOM 794 C GLU A 55 12.015 -14.753 2.390 1.00 0.00 C ATOM 795 O GLU A 55 12.765 -13.800 2.178 1.00 0.00 O ATOM 796 CB GLU A 55 13.613 -16.666 2.175 1.00 0.00 C ATOM 797 CG GLU A 55 14.878 -15.832 2.060 1.00 0.00 C ATOM 798 CD GLU A 55 16.052 -16.624 1.518 1.00 0.00 C ATOM 799 OE1 GLU A 55 16.206 -17.799 1.912 1.00 0.00 O ATOM 800 OE2 GLU A 55 16.817 -16.070 0.702 1.00 0.00 O ATOM 0 H GLU A 55 11.409 -17.744 2.627 1.00 0.00 H new ATOM 0 HA GLU A 55 12.970 -15.763 4.016 1.00 0.00 H new ATOM 0 HB2 GLU A 55 13.868 -17.644 2.583 1.00 0.00 H new ATOM 0 HB3 GLU A 55 13.206 -16.833 1.178 1.00 0.00 H new ATOM 0 HG2 GLU A 55 14.688 -14.979 1.408 1.00 0.00 H new ATOM 0 HG3 GLU A 55 15.136 -15.433 3.041 1.00 0.00 H new ATOM 807 N ALA A 56 10.726 -14.745 2.065 1.00 0.00 N ATOM 808 CA ALA A 56 10.106 -13.590 1.429 1.00 0.00 C ATOM 809 C ALA A 56 9.252 -12.809 2.422 1.00 0.00 C ATOM 810 O ALA A 56 9.205 -11.580 2.381 1.00 0.00 O ATOM 811 CB ALA A 56 9.265 -14.031 0.240 1.00 0.00 C ATOM 0 H ALA A 56 10.091 -15.526 2.232 1.00 0.00 H new ATOM 0 HA ALA A 56 10.899 -12.932 1.075 1.00 0.00 H new ATOM 0 HB1 ALA A 56 8.808 -13.158 -0.226 1.00 0.00 H new ATOM 0 HB2 ALA A 56 9.900 -14.539 -0.486 1.00 0.00 H new ATOM 0 HB3 ALA A 56 8.484 -14.712 0.579 1.00 0.00 H new ATOM 817 N GLU A 57 8.578 -13.531 3.313 1.00 0.00 N ATOM 818 CA GLU A 57 7.725 -12.904 4.315 1.00 0.00 C ATOM 819 C GLU A 57 8.421 -11.702 4.947 1.00 0.00 C ATOM 820 O GLU A 57 7.877 -10.599 5.009 1.00 0.00 O ATOM 821 CB GLU A 57 7.345 -13.915 5.399 1.00 0.00 C ATOM 822 CG GLU A 57 5.929 -13.745 5.921 1.00 0.00 C ATOM 823 CD GLU A 57 5.579 -14.751 7.000 1.00 0.00 C ATOM 824 OE1 GLU A 57 5.790 -15.961 6.774 1.00 0.00 O ATOM 825 OE2 GLU A 57 5.096 -14.328 8.071 1.00 0.00 O ATOM 0 H GLU A 57 8.607 -14.549 3.361 1.00 0.00 H new ATOM 0 HA GLU A 57 6.819 -12.558 3.818 1.00 0.00 H new ATOM 0 HB2 GLU A 57 7.457 -14.923 4.999 1.00 0.00 H new ATOM 0 HB3 GLU A 57 8.043 -13.823 6.231 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.811 -12.737 6.318 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.226 -13.846 5.094 1.00 0.00 H new ATOM 832 N PRO A 58 9.654 -11.919 5.429 1.00 0.00 N ATOM 833 CA PRO A 58 10.452 -10.866 6.065 1.00 0.00 C ATOM 834 C PRO A 58 10.920 -9.812 5.069 1.00 0.00 C ATOM 835 O PRO A 58 11.335 -8.719 5.455 1.00 0.00 O ATOM 836 CB PRO A 58 11.649 -11.627 6.641 1.00 0.00 C ATOM 837 CG PRO A 58 11.767 -12.845 5.791 1.00 0.00 C ATOM 838 CD PRO A 58 10.364 -13.208 5.389 1.00 0.00 C ATOM 0 HA PRO A 58 9.880 -10.316 6.812 1.00 0.00 H new ATOM 0 HB2 PRO A 58 12.557 -11.026 6.600 1.00 0.00 H new ATOM 0 HB3 PRO A 58 11.486 -11.888 7.687 1.00 0.00 H new ATOM 0 HG2 PRO A 58 12.386 -12.651 4.915 1.00 0.00 H new ATOM 0 HG3 PRO A 58 12.239 -13.660 6.340 1.00 0.00 H new ATOM 0 HD2 PRO A 58 10.333 -13.653 4.394 1.00 0.00 H new ATOM 0 HD3 PRO A 58 9.923 -13.931 6.076 1.00 0.00 H new ATOM 846 N VAL A 59 10.851 -10.146 3.784 1.00 0.00 N ATOM 847 CA VAL A 59 11.266 -9.226 2.731 1.00 0.00 C ATOM 848 C VAL A 59 10.120 -8.312 2.316 1.00 0.00 C ATOM 849 O VAL A 59 10.342 -7.195 1.847 1.00 0.00 O ATOM 850 CB VAL A 59 11.777 -9.986 1.492 1.00 0.00 C ATOM 851 CG1 VAL A 59 12.561 -9.054 0.580 1.00 0.00 C ATOM 852 CG2 VAL A 59 12.628 -11.176 1.910 1.00 0.00 C ATOM 0 H VAL A 59 10.512 -11.047 3.447 1.00 0.00 H new ATOM 0 HA VAL A 59 12.077 -8.623 3.139 1.00 0.00 H new ATOM 0 HB VAL A 59 10.917 -10.361 0.937 1.00 0.00 H new ATOM 0 HG11 VAL A 59 12.914 -9.608 -0.290 1.00 0.00 H new ATOM 0 HG12 VAL A 59 11.917 -8.238 0.253 1.00 0.00 H new ATOM 0 HG13 VAL A 59 13.415 -8.647 1.122 1.00 0.00 H new ATOM 0 HG21 VAL A 59 12.980 -11.701 1.022 1.00 0.00 H new ATOM 0 HG22 VAL A 59 13.483 -10.826 2.488 1.00 0.00 H new ATOM 0 HG23 VAL A 59 12.031 -11.854 2.520 1.00 0.00 H new ATOM 862 N ILE A 60 8.894 -8.792 2.492 1.00 0.00 N ATOM 863 CA ILE A 60 7.712 -8.016 2.138 1.00 0.00 C ATOM 864 C ILE A 60 7.210 -7.204 3.326 1.00 0.00 C ATOM 865 O ILE A 60 6.935 -6.010 3.204 1.00 0.00 O ATOM 866 CB ILE A 60 6.574 -8.923 1.633 1.00 0.00 C ATOM 867 CG1 ILE A 60 7.028 -9.712 0.403 1.00 0.00 C ATOM 868 CG2 ILE A 60 5.339 -8.095 1.311 1.00 0.00 C ATOM 869 CD1 ILE A 60 5.909 -10.471 -0.276 1.00 0.00 C ATOM 0 H ILE A 60 8.693 -9.715 2.878 1.00 0.00 H new ATOM 0 HA ILE A 60 8.008 -7.338 1.338 1.00 0.00 H new ATOM 0 HB ILE A 60 6.318 -9.631 2.421 1.00 0.00 H new ATOM 0 HG12 ILE A 60 7.477 -9.025 -0.314 1.00 0.00 H new ATOM 0 HG13 ILE A 60 7.806 -10.416 0.700 1.00 0.00 H new ATOM 0 HG21 ILE A 60 4.544 -8.751 0.955 1.00 0.00 H new ATOM 0 HG22 ILE A 60 5.006 -7.574 2.209 1.00 0.00 H new ATOM 0 HG23 ILE A 60 5.581 -7.366 0.538 1.00 0.00 H new ATOM 0 HD11 ILE A 60 6.304 -11.007 -1.139 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.475 -11.183 0.425 1.00 0.00 H new ATOM 0 HD13 ILE A 60 5.141 -9.771 -0.604 1.00 0.00 H new ATOM 881 N ARG A 61 7.094 -7.859 4.477 1.00 0.00 N ATOM 882 CA ARG A 61 6.626 -7.197 5.689 1.00 0.00 C ATOM 883 C ARG A 61 7.523 -6.016 6.045 1.00 0.00 C ATOM 884 O ARG A 61 7.041 -4.959 6.452 1.00 0.00 O ATOM 885 CB ARG A 61 6.585 -8.189 6.853 1.00 0.00 C ATOM 886 CG ARG A 61 5.520 -7.868 7.890 1.00 0.00 C ATOM 887 CD ARG A 61 4.982 -9.130 8.546 1.00 0.00 C ATOM 888 NE ARG A 61 3.820 -9.662 7.839 1.00 0.00 N ATOM 889 CZ ARG A 61 2.941 -10.491 8.390 1.00 0.00 C ATOM 890 NH1 ARG A 61 3.091 -10.881 9.648 1.00 0.00 N ATOM 891 NH2 ARG A 61 1.909 -10.932 7.682 1.00 0.00 N ATOM 0 H ARG A 61 7.318 -8.847 4.596 1.00 0.00 H new ATOM 0 HA ARG A 61 5.619 -6.823 5.503 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.407 -9.190 6.460 1.00 0.00 H new ATOM 0 HB3 ARG A 61 7.560 -8.206 7.339 1.00 0.00 H new ATOM 0 HG2 ARG A 61 5.939 -7.211 8.652 1.00 0.00 H new ATOM 0 HG3 ARG A 61 4.702 -7.326 7.417 1.00 0.00 H new ATOM 0 HD2 ARG A 61 5.766 -9.886 8.575 1.00 0.00 H new ATOM 0 HD3 ARG A 61 4.710 -8.914 9.579 1.00 0.00 H new ATOM 0 HE ARG A 61 3.676 -9.381 6.869 1.00 0.00 H new ATOM 0 HH11 ARG A 61 3.883 -10.544 10.195 1.00 0.00 H new ATOM 0 HH12 ARG A 61 2.414 -11.518 10.069 1.00 0.00 H new ATOM 0 HH21 ARG A 61 1.790 -10.634 6.714 1.00 0.00 H new ATOM 0 HH22 ARG A 61 1.234 -11.569 8.106 1.00 0.00 H new ATOM 905 N GLU A 62 8.830 -6.203 5.887 1.00 0.00 N ATOM 906 CA GLU A 62 9.794 -5.153 6.194 1.00 0.00 C ATOM 907 C GLU A 62 9.624 -3.966 5.248 1.00 0.00 C ATOM 908 O GLU A 62 9.697 -2.811 5.665 1.00 0.00 O ATOM 909 CB GLU A 62 11.221 -5.695 6.097 1.00 0.00 C ATOM 910 CG GLU A 62 11.599 -6.620 7.242 1.00 0.00 C ATOM 911 CD GLU A 62 11.975 -5.865 8.502 1.00 0.00 C ATOM 912 OE1 GLU A 62 13.007 -5.161 8.486 1.00 0.00 O ATOM 913 OE2 GLU A 62 11.239 -5.977 9.504 1.00 0.00 O ATOM 0 H GLU A 62 9.245 -7.071 5.548 1.00 0.00 H new ATOM 0 HA GLU A 62 9.611 -4.814 7.214 1.00 0.00 H new ATOM 0 HB2 GLU A 62 11.334 -6.232 5.155 1.00 0.00 H new ATOM 0 HB3 GLU A 62 11.918 -4.857 6.072 1.00 0.00 H new ATOM 0 HG2 GLU A 62 10.763 -7.286 7.458 1.00 0.00 H new ATOM 0 HG3 GLU A 62 12.436 -7.248 6.936 1.00 0.00 H new ATOM 920 N GLY A 63 9.398 -4.262 3.972 1.00 0.00 N ATOM 921 CA GLY A 63 9.223 -3.211 2.987 1.00 0.00 C ATOM 922 C GLY A 63 7.940 -2.430 3.194 1.00 0.00 C ATOM 923 O GLY A 63 7.868 -1.242 2.875 1.00 0.00 O ATOM 0 H GLY A 63 9.333 -5.211 3.603 1.00 0.00 H new ATOM 0 HA2 GLY A 63 10.072 -2.529 3.034 1.00 0.00 H new ATOM 0 HA3 GLY A 63 9.221 -3.649 1.989 1.00 0.00 H new ATOM 927 N LEU A 64 6.923 -3.097 3.729 1.00 0.00 N ATOM 928 CA LEU A 64 5.635 -2.459 3.978 1.00 0.00 C ATOM 929 C LEU A 64 5.809 -1.179 4.790 1.00 0.00 C ATOM 930 O LEU A 64 4.907 -0.345 4.855 1.00 0.00 O ATOM 931 CB LEU A 64 4.701 -3.420 4.714 1.00 0.00 C ATOM 932 CG LEU A 64 3.937 -4.416 3.839 1.00 0.00 C ATOM 933 CD1 LEU A 64 3.356 -5.535 4.688 1.00 0.00 C ATOM 934 CD2 LEU A 64 2.838 -3.708 3.060 1.00 0.00 C ATOM 0 H LEU A 64 6.966 -4.080 3.999 1.00 0.00 H new ATOM 0 HA LEU A 64 5.194 -2.200 3.015 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.289 -3.981 5.440 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.977 -2.831 5.277 1.00 0.00 H new ATOM 0 HG LEU A 64 4.635 -4.854 3.126 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.816 -6.234 4.049 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.163 -6.060 5.200 1.00 0.00 H new ATOM 0 HD13 LEU A 64 2.672 -5.115 5.425 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.305 -4.432 2.443 1.00 0.00 H new ATOM 0 HD22 LEU A 64 2.141 -3.242 3.756 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.280 -2.943 2.422 1.00 0.00 H new ATOM 946 N LYS A 65 6.977 -1.030 5.406 1.00 0.00 N ATOM 947 CA LYS A 65 7.272 0.149 6.212 1.00 0.00 C ATOM 948 C LYS A 65 7.671 1.326 5.327 1.00 0.00 C ATOM 949 O LYS A 65 7.367 2.478 5.636 1.00 0.00 O ATOM 950 CB LYS A 65 8.393 -0.157 7.208 1.00 0.00 C ATOM 951 CG LYS A 65 8.015 -1.198 8.247 1.00 0.00 C ATOM 952 CD LYS A 65 9.132 -1.410 9.256 1.00 0.00 C ATOM 953 CE LYS A 65 9.223 -0.253 10.238 1.00 0.00 C ATOM 954 NZ LYS A 65 10.566 -0.170 10.875 1.00 0.00 N ATOM 0 H LYS A 65 7.735 -1.711 5.362 1.00 0.00 H new ATOM 0 HA LYS A 65 6.370 0.419 6.761 1.00 0.00 H new ATOM 0 HB2 LYS A 65 9.270 -0.504 6.661 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.678 0.764 7.716 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.110 -0.883 8.766 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.787 -2.142 7.752 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.960 -2.338 9.801 1.00 0.00 H new ATOM 0 HD3 LYS A 65 10.081 -1.519 8.732 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.009 0.681 9.719 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.462 -0.371 11.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 10.587 0.631 11.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.760 -1.051 11.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 11.290 -0.032 10.141 1.00 0.00 H new ATOM 968 N HIS A 66 8.352 1.028 4.225 1.00 0.00 N ATOM 969 CA HIS A 66 8.791 2.062 3.295 1.00 0.00 C ATOM 970 C HIS A 66 7.602 2.663 2.551 1.00 0.00 C ATOM 971 O HIS A 66 7.710 3.730 1.946 1.00 0.00 O ATOM 972 CB HIS A 66 9.795 1.486 2.295 1.00 0.00 C ATOM 973 CG HIS A 66 11.075 1.033 2.926 1.00 0.00 C ATOM 974 ND1 HIS A 66 12.298 1.603 2.640 1.00 0.00 N ATOM 975 CD2 HIS A 66 11.319 0.060 3.835 1.00 0.00 C ATOM 976 CE1 HIS A 66 13.238 0.999 3.344 1.00 0.00 C ATOM 977 NE2 HIS A 66 12.670 0.058 4.078 1.00 0.00 N ATOM 0 H HIS A 66 8.612 0.079 3.954 1.00 0.00 H new ATOM 0 HA HIS A 66 9.275 2.852 3.870 1.00 0.00 H new ATOM 0 HB2 HIS A 66 9.337 0.644 1.777 1.00 0.00 H new ATOM 0 HB3 HIS A 66 10.018 2.241 1.541 1.00 0.00 H new ATOM 0 HD2 HIS A 66 10.587 -0.593 4.285 1.00 0.00 H new ATOM 0 HE1 HIS A 66 14.292 1.234 3.323 1.00 0.00 H new ATOM 0 HE2 HIS A 66 13.156 -0.568 4.720 1.00 0.00 H new ATOM 986 N VAL A 67 6.468 1.971 2.599 1.00 0.00 N ATOM 987 CA VAL A 67 5.259 2.436 1.931 1.00 0.00 C ATOM 988 C VAL A 67 4.942 3.879 2.309 1.00 0.00 C ATOM 989 O VAL A 67 5.119 4.285 3.458 1.00 0.00 O ATOM 990 CB VAL A 67 4.049 1.548 2.277 1.00 0.00 C ATOM 991 CG1 VAL A 67 3.443 1.967 3.608 1.00 0.00 C ATOM 992 CG2 VAL A 67 3.011 1.607 1.167 1.00 0.00 C ATOM 0 H VAL A 67 6.362 1.086 3.094 1.00 0.00 H new ATOM 0 HA VAL A 67 5.448 2.378 0.859 1.00 0.00 H new ATOM 0 HB VAL A 67 4.391 0.517 2.369 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.589 1.329 3.836 1.00 0.00 H new ATOM 0 HG12 VAL A 67 4.190 1.868 4.395 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.114 3.005 3.548 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.163 0.974 1.428 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.671 2.635 1.041 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.454 1.254 0.236 1.00 0.00 H new ATOM 1002 N THR A 68 4.472 4.651 1.334 1.00 0.00 N ATOM 1003 CA THR A 68 4.130 6.049 1.564 1.00 0.00 C ATOM 1004 C THR A 68 2.649 6.302 1.308 1.00 0.00 C ATOM 1005 O THR A 68 2.271 7.352 0.790 1.00 0.00 O ATOM 1006 CB THR A 68 4.962 6.985 0.667 1.00 0.00 C ATOM 1007 OG1 THR A 68 4.896 8.326 1.164 1.00 0.00 O ATOM 1008 CG2 THR A 68 4.461 6.945 -0.769 1.00 0.00 C ATOM 0 H THR A 68 4.320 4.331 0.377 1.00 0.00 H new ATOM 0 HA THR A 68 4.357 6.262 2.609 1.00 0.00 H new ATOM 0 HB THR A 68 5.997 6.643 0.683 1.00 0.00 H new ATOM 0 HG1 THR A 68 3.960 8.611 1.212 1.00 0.00 H new ATOM 0 HG21 THR A 68 5.064 7.614 -1.383 1.00 0.00 H new ATOM 0 HG22 THR A 68 4.540 5.928 -1.154 1.00 0.00 H new ATOM 0 HG23 THR A 68 3.419 7.264 -0.800 1.00 0.00 H new ATOM 1016 N GLU A 69 1.816 5.334 1.675 1.00 0.00 N ATOM 1017 CA GLU A 69 0.375 5.454 1.485 1.00 0.00 C ATOM 1018 C GLU A 69 -0.378 4.519 2.426 1.00 0.00 C ATOM 1019 O GLU A 69 -0.239 3.298 2.349 1.00 0.00 O ATOM 1020 CB GLU A 69 0.002 5.143 0.034 1.00 0.00 C ATOM 1021 CG GLU A 69 0.427 3.756 -0.420 1.00 0.00 C ATOM 1022 CD GLU A 69 0.668 3.679 -1.915 1.00 0.00 C ATOM 1023 OE1 GLU A 69 1.785 4.025 -2.354 1.00 0.00 O ATOM 1024 OE2 GLU A 69 -0.260 3.275 -2.646 1.00 0.00 O ATOM 0 H GLU A 69 2.114 4.458 2.105 1.00 0.00 H new ATOM 0 HA GLU A 69 0.089 6.480 1.715 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -1.077 5.240 -0.084 1.00 0.00 H new ATOM 0 HB3 GLU A 69 0.462 5.886 -0.618 1.00 0.00 H new ATOM 0 HG2 GLU A 69 1.337 3.469 0.106 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -0.342 3.035 -0.142 1.00 0.00 H new ATOM 1031 N ASP A 70 -1.176 5.100 3.315 1.00 0.00 N ATOM 1032 CA ASP A 70 -1.952 4.320 4.272 1.00 0.00 C ATOM 1033 C ASP A 70 -2.640 3.145 3.584 1.00 0.00 C ATOM 1034 O ASP A 70 -3.710 3.299 2.993 1.00 0.00 O ATOM 1035 CB ASP A 70 -2.993 5.206 4.959 1.00 0.00 C ATOM 1036 CG ASP A 70 -3.689 6.141 3.990 1.00 0.00 C ATOM 1037 OD1 ASP A 70 -4.319 5.642 3.033 1.00 0.00 O ATOM 1038 OD2 ASP A 70 -3.604 7.370 4.188 1.00 0.00 O ATOM 0 H ASP A 70 -1.303 6.109 3.393 1.00 0.00 H new ATOM 0 HA ASP A 70 -1.267 3.927 5.024 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -3.736 4.576 5.448 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -2.508 5.792 5.740 1.00 0.00 H new ATOM 1043 N CYS A 71 -2.020 1.973 3.665 1.00 0.00 N ATOM 1044 CA CYS A 71 -2.572 0.772 3.048 1.00 0.00 C ATOM 1045 C CYS A 71 -2.907 -0.276 4.104 1.00 0.00 C ATOM 1046 O CYS A 71 -2.588 -0.110 5.281 1.00 0.00 O ATOM 1047 CB CYS A 71 -1.584 0.195 2.033 1.00 0.00 C ATOM 1048 SG CYS A 71 -0.153 -0.621 2.779 1.00 0.00 S ATOM 0 H CYS A 71 -1.135 1.829 4.152 1.00 0.00 H new ATOM 0 HA CYS A 71 -3.492 1.048 2.532 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -2.107 -0.521 1.399 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -1.234 0.999 1.385 1.00 0.00 H new ATOM 0 HG CYS A 71 0.270 -1.563 1.989 1.00 0.00 H new ATOM 1054 N VAL A 72 -3.553 -1.356 3.675 1.00 0.00 N ATOM 1055 CA VAL A 72 -3.932 -2.432 4.583 1.00 0.00 C ATOM 1056 C VAL A 72 -3.502 -3.789 4.037 1.00 0.00 C ATOM 1057 O VAL A 72 -4.155 -4.351 3.158 1.00 0.00 O ATOM 1058 CB VAL A 72 -5.452 -2.448 4.830 1.00 0.00 C ATOM 1059 CG1 VAL A 72 -5.821 -3.549 5.813 1.00 0.00 C ATOM 1060 CG2 VAL A 72 -5.924 -1.092 5.333 1.00 0.00 C ATOM 0 H VAL A 72 -3.825 -1.509 2.704 1.00 0.00 H new ATOM 0 HA VAL A 72 -3.420 -2.245 5.527 1.00 0.00 H new ATOM 0 HB VAL A 72 -5.955 -2.654 3.885 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -6.899 -3.545 5.976 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -5.518 -4.515 5.408 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -5.311 -3.377 6.761 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -7.000 -1.121 5.502 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -5.416 -0.854 6.267 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.694 -0.328 4.590 1.00 0.00 H new ATOM 1070 N PHE A 73 -2.399 -4.310 4.564 1.00 0.00 N ATOM 1071 CA PHE A 73 -1.881 -5.602 4.130 1.00 0.00 C ATOM 1072 C PHE A 73 -2.855 -6.724 4.478 1.00 0.00 C ATOM 1073 O PHE A 73 -3.594 -6.636 5.459 1.00 0.00 O ATOM 1074 CB PHE A 73 -0.521 -5.873 4.777 1.00 0.00 C ATOM 1075 CG PHE A 73 0.146 -7.120 4.270 1.00 0.00 C ATOM 1076 CD1 PHE A 73 0.840 -7.113 3.071 1.00 0.00 C ATOM 1077 CD2 PHE A 73 0.079 -8.300 4.994 1.00 0.00 C ATOM 1078 CE1 PHE A 73 1.453 -8.259 2.602 1.00 0.00 C ATOM 1079 CE2 PHE A 73 0.690 -9.450 4.530 1.00 0.00 C ATOM 1080 CZ PHE A 73 1.379 -9.429 3.334 1.00 0.00 C ATOM 0 H PHE A 73 -1.847 -3.857 5.292 1.00 0.00 H new ATOM 0 HA PHE A 73 -1.761 -5.572 3.047 1.00 0.00 H new ATOM 0 HB2 PHE A 73 0.134 -5.021 4.597 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -0.650 -5.953 5.856 1.00 0.00 H new ATOM 0 HD1 PHE A 73 0.903 -6.201 2.496 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -0.457 -8.321 5.932 1.00 0.00 H new ATOM 0 HE1 PHE A 73 1.989 -8.241 1.665 1.00 0.00 H new ATOM 0 HE2 PHE A 73 0.628 -10.364 5.102 1.00 0.00 H new ATOM 0 HZ PHE A 73 1.859 -10.325 2.971 1.00 0.00 H new ATOM 1090 N ILE A 74 -2.850 -7.776 3.667 1.00 0.00 N ATOM 1091 CA ILE A 74 -3.732 -8.915 3.889 1.00 0.00 C ATOM 1092 C ILE A 74 -3.007 -10.231 3.625 1.00 0.00 C ATOM 1093 O ILE A 74 -2.770 -10.602 2.476 1.00 0.00 O ATOM 1094 CB ILE A 74 -4.982 -8.842 2.993 1.00 0.00 C ATOM 1095 CG1 ILE A 74 -5.696 -7.503 3.185 1.00 0.00 C ATOM 1096 CG2 ILE A 74 -5.922 -9.999 3.299 1.00 0.00 C ATOM 1097 CD1 ILE A 74 -6.920 -7.339 2.311 1.00 0.00 C ATOM 0 H ILE A 74 -2.245 -7.863 2.850 1.00 0.00 H new ATOM 0 HA ILE A 74 -4.041 -8.876 4.934 1.00 0.00 H new ATOM 0 HB ILE A 74 -4.670 -8.920 1.952 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -5.990 -7.404 4.230 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.997 -6.694 2.972 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -6.801 -9.933 2.657 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -5.409 -10.943 3.116 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -6.231 -9.951 4.343 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -7.375 -6.367 2.501 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -6.630 -7.406 1.262 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -7.638 -8.126 2.539 1.00 0.00 H new ATOM 1109 N TYR A 75 -2.660 -10.934 4.698 1.00 0.00 N ATOM 1110 CA TYR A 75 -1.962 -12.209 4.583 1.00 0.00 C ATOM 1111 C TYR A 75 -2.944 -13.345 4.315 1.00 0.00 C ATOM 1112 O TYR A 75 -3.458 -13.968 5.245 1.00 0.00 O ATOM 1113 CB TYR A 75 -1.168 -12.496 5.858 1.00 0.00 C ATOM 1114 CG TYR A 75 -0.171 -13.623 5.710 1.00 0.00 C ATOM 1115 CD1 TYR A 75 -0.589 -14.947 5.682 1.00 0.00 C ATOM 1116 CD2 TYR A 75 1.190 -13.363 5.599 1.00 0.00 C ATOM 1117 CE1 TYR A 75 0.318 -15.980 5.547 1.00 0.00 C ATOM 1118 CE2 TYR A 75 2.104 -14.390 5.462 1.00 0.00 C ATOM 1119 CZ TYR A 75 1.663 -15.697 5.437 1.00 0.00 C ATOM 1120 OH TYR A 75 2.571 -16.722 5.302 1.00 0.00 O ATOM 0 H TYR A 75 -2.851 -10.642 5.657 1.00 0.00 H new ATOM 0 HA TYR A 75 -1.273 -12.143 3.741 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -0.639 -11.591 6.158 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -1.863 -12.740 6.661 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -1.642 -15.173 5.767 1.00 0.00 H new ATOM 0 HD2 TYR A 75 1.539 -12.341 5.620 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -0.025 -17.004 5.528 1.00 0.00 H new ATOM 0 HE2 TYR A 75 3.158 -14.171 5.375 1.00 0.00 H new ATOM 0 HH TYR A 75 3.476 -16.351 5.236 1.00 0.00 H new ATOM 1130 N CYS A 76 -3.199 -13.609 3.039 1.00 0.00 N ATOM 1131 CA CYS A 76 -4.120 -14.671 2.647 1.00 0.00 C ATOM 1132 C CYS A 76 -3.365 -15.962 2.347 1.00 0.00 C ATOM 1133 O CYS A 76 -2.374 -15.957 1.618 1.00 0.00 O ATOM 1134 CB CYS A 76 -4.931 -14.244 1.423 1.00 0.00 C ATOM 1135 SG CYS A 76 -6.067 -15.511 0.812 1.00 0.00 S ATOM 0 H CYS A 76 -2.782 -13.103 2.258 1.00 0.00 H new ATOM 0 HA CYS A 76 -4.800 -14.854 3.479 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -5.502 -13.349 1.673 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -4.244 -13.971 0.622 1.00 0.00 H new ATOM 0 HG CYS A 76 -6.709 -15.056 -0.223 1.00 0.00 H new ATOM 1141 N GLN A 77 -3.840 -17.065 2.917 1.00 0.00 N ATOM 1142 CA GLN A 77 -3.208 -18.363 2.713 1.00 0.00 C ATOM 1143 C GLN A 77 -3.972 -19.183 1.679 1.00 0.00 C ATOM 1144 O GLN A 77 -5.110 -19.591 1.913 1.00 0.00 O ATOM 1145 CB GLN A 77 -3.130 -19.129 4.034 1.00 0.00 C ATOM 1146 CG GLN A 77 -2.374 -18.388 5.124 1.00 0.00 C ATOM 1147 CD GLN A 77 -2.776 -18.829 6.517 1.00 0.00 C ATOM 1148 OE1 GLN A 77 -2.107 -19.656 7.137 1.00 0.00 O ATOM 1149 NE2 GLN A 77 -3.876 -18.277 7.018 1.00 0.00 N ATOM 0 H GLN A 77 -4.660 -17.086 3.523 1.00 0.00 H new ATOM 0 HA GLN A 77 -2.198 -18.193 2.340 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -4.141 -19.338 4.383 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -2.648 -20.091 3.859 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -1.304 -18.548 4.991 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -2.552 -17.318 5.021 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -4.400 -17.596 6.469 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -4.196 -18.535 7.951 1.00 0.00 H new ATOM 1158 N VAL A 78 -3.340 -19.422 0.535 1.00 0.00 N ATOM 1159 CA VAL A 78 -3.960 -20.195 -0.535 1.00 0.00 C ATOM 1160 C VAL A 78 -4.488 -21.527 -0.015 1.00 0.00 C ATOM 1161 O VAL A 78 -5.626 -21.906 -0.291 1.00 0.00 O ATOM 1162 CB VAL A 78 -2.968 -20.462 -1.682 1.00 0.00 C ATOM 1163 CG1 VAL A 78 -2.610 -19.164 -2.391 1.00 0.00 C ATOM 1164 CG2 VAL A 78 -1.719 -21.153 -1.157 1.00 0.00 C ATOM 0 H VAL A 78 -2.398 -19.091 0.325 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.791 -19.600 -0.914 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.445 -21.124 -2.404 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.908 -19.372 -3.199 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.513 -18.713 -2.802 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.152 -18.476 -1.681 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -1.029 -21.334 -1.982 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -1.237 -20.518 -0.413 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -1.994 -22.103 -0.699 1.00 0.00 H new ATOM 1174 N GLY A 79 -3.653 -22.235 0.740 1.00 0.00 N ATOM 1175 CA GLY A 79 -4.055 -23.518 1.288 1.00 0.00 C ATOM 1176 C GLY A 79 -2.880 -24.454 1.492 1.00 0.00 C ATOM 1177 O GLY A 79 -1.746 -24.009 1.666 1.00 0.00 O ATOM 0 H GLY A 79 -2.706 -21.943 0.982 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -4.560 -23.361 2.241 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -4.777 -23.986 0.618 1.00 0.00 H new ATOM 1181 N ASP A 80 -3.152 -25.754 1.471 1.00 0.00 N ATOM 1182 CA ASP A 80 -2.108 -26.756 1.656 1.00 0.00 C ATOM 1183 C ASP A 80 -1.140 -26.755 0.477 1.00 0.00 C ATOM 1184 O ASP A 80 -1.372 -26.089 -0.532 1.00 0.00 O ATOM 1185 CB ASP A 80 -2.728 -28.144 1.821 1.00 0.00 C ATOM 1186 CG ASP A 80 -3.872 -28.153 2.817 1.00 0.00 C ATOM 1187 OD1 ASP A 80 -4.902 -27.502 2.543 1.00 0.00 O ATOM 1188 OD2 ASP A 80 -3.736 -28.810 3.869 1.00 0.00 O ATOM 0 H ASP A 80 -4.086 -26.139 1.328 1.00 0.00 H new ATOM 0 HA ASP A 80 -1.553 -26.505 2.560 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -3.089 -28.495 0.854 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -1.960 -28.845 2.148 1.00 0.00 H new ATOM 1193 N LYS A 81 -0.051 -27.505 0.612 1.00 0.00 N ATOM 1194 CA LYS A 81 0.954 -27.592 -0.440 1.00 0.00 C ATOM 1195 C LYS A 81 0.346 -28.134 -1.730 1.00 0.00 C ATOM 1196 O LYS A 81 0.378 -27.489 -2.778 1.00 0.00 O ATOM 1197 CB LYS A 81 2.113 -28.488 0.005 1.00 0.00 C ATOM 1198 CG LYS A 81 2.772 -29.242 -1.136 1.00 0.00 C ATOM 1199 CD LYS A 81 4.121 -29.808 -0.725 1.00 0.00 C ATOM 1200 CE LYS A 81 5.041 -29.982 -1.924 1.00 0.00 C ATOM 1201 NZ LYS A 81 4.737 -31.228 -2.680 1.00 0.00 N ATOM 0 H LYS A 81 0.158 -28.062 1.441 1.00 0.00 H new ATOM 0 HA LYS A 81 1.332 -26.587 -0.630 1.00 0.00 H new ATOM 0 HB2 LYS A 81 2.863 -27.876 0.506 1.00 0.00 H new ATOM 0 HB3 LYS A 81 1.746 -29.205 0.739 1.00 0.00 H new ATOM 0 HG2 LYS A 81 2.120 -30.053 -1.462 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.901 -28.574 -1.988 1.00 0.00 H new ATOM 0 HD2 LYS A 81 4.590 -29.144 0.001 1.00 0.00 H new ATOM 0 HD3 LYS A 81 3.978 -30.770 -0.232 1.00 0.00 H new ATOM 0 HE2 LYS A 81 4.941 -29.122 -2.586 1.00 0.00 H new ATOM 0 HE3 LYS A 81 6.077 -30.006 -1.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 5.385 -31.310 -3.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 4.857 -32.051 -2.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 3.756 -31.195 -3.024 1.00 0.00 H new ATOM 1215 N PRO A 82 -0.223 -29.346 -1.653 1.00 0.00 N ATOM 1216 CA PRO A 82 -0.852 -30.000 -2.805 1.00 0.00 C ATOM 1217 C PRO A 82 -2.145 -29.311 -3.229 1.00 0.00 C ATOM 1218 O PRO A 82 -2.664 -29.560 -4.317 1.00 0.00 O ATOM 1219 CB PRO A 82 -1.141 -31.414 -2.296 1.00 0.00 C ATOM 1220 CG PRO A 82 -1.252 -31.269 -0.818 1.00 0.00 C ATOM 1221 CD PRO A 82 -0.298 -30.171 -0.436 1.00 0.00 C ATOM 0 HA PRO A 82 -0.213 -29.972 -3.688 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -2.062 -31.809 -2.725 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -0.342 -32.104 -2.567 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -2.272 -31.019 -0.526 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -0.996 -32.201 -0.314 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -0.665 -29.598 0.416 1.00 0.00 H new ATOM 0 HD3 PRO A 82 0.679 -30.566 -0.158 1.00 0.00 H new ATOM 1229 N TYR A 83 -2.658 -28.445 -2.363 1.00 0.00 N ATOM 1230 CA TYR A 83 -3.892 -27.721 -2.647 1.00 0.00 C ATOM 1231 C TYR A 83 -3.636 -26.563 -3.606 1.00 0.00 C ATOM 1232 O TYR A 83 -4.484 -26.228 -4.433 1.00 0.00 O ATOM 1233 CB TYR A 83 -4.511 -27.197 -1.350 1.00 0.00 C ATOM 1234 CG TYR A 83 -5.639 -26.215 -1.570 1.00 0.00 C ATOM 1235 CD1 TYR A 83 -5.384 -24.918 -1.998 1.00 0.00 C ATOM 1236 CD2 TYR A 83 -6.961 -26.585 -1.353 1.00 0.00 C ATOM 1237 CE1 TYR A 83 -6.412 -24.017 -2.200 1.00 0.00 C ATOM 1238 CE2 TYR A 83 -7.995 -25.692 -1.554 1.00 0.00 C ATOM 1239 CZ TYR A 83 -7.715 -24.409 -1.977 1.00 0.00 C ATOM 1240 OH TYR A 83 -8.742 -23.515 -2.178 1.00 0.00 O ATOM 0 H TYR A 83 -2.239 -28.227 -1.459 1.00 0.00 H new ATOM 0 HA TYR A 83 -4.588 -28.413 -3.120 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -4.883 -28.040 -0.768 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -3.734 -26.717 -0.755 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -4.365 -24.609 -2.176 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -7.184 -27.588 -1.021 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -6.196 -23.012 -2.531 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -9.017 -25.996 -1.381 1.00 0.00 H new ATOM 0 HH TYR A 83 -9.597 -23.949 -1.978 1.00 0.00 H new ATOM 1250 N TRP A 84 -2.461 -25.955 -3.488 1.00 0.00 N ATOM 1251 CA TRP A 84 -2.092 -24.833 -4.344 1.00 0.00 C ATOM 1252 C TRP A 84 -2.014 -25.266 -5.804 1.00 0.00 C ATOM 1253 O TRP A 84 -2.537 -24.590 -6.691 1.00 0.00 O ATOM 1254 CB TRP A 84 -0.750 -24.247 -3.901 1.00 0.00 C ATOM 1255 CG TRP A 84 -0.110 -23.378 -4.940 1.00 0.00 C ATOM 1256 CD1 TRP A 84 1.180 -23.447 -5.384 1.00 0.00 C ATOM 1257 CD2 TRP A 84 -0.729 -22.309 -5.664 1.00 0.00 C ATOM 1258 NE1 TRP A 84 1.400 -22.485 -6.340 1.00 0.00 N ATOM 1259 CE2 TRP A 84 0.245 -21.775 -6.531 1.00 0.00 C ATOM 1260 CE3 TRP A 84 -2.011 -21.754 -5.667 1.00 0.00 C ATOM 1261 CZ2 TRP A 84 -0.026 -20.711 -7.388 1.00 0.00 C ATOM 1262 CZ3 TRP A 84 -2.278 -20.698 -6.518 1.00 0.00 C ATOM 1263 CH2 TRP A 84 -1.289 -20.186 -7.370 1.00 0.00 C ATOM 0 H TRP A 84 -1.748 -26.220 -2.808 1.00 0.00 H new ATOM 0 HA TRP A 84 -2.863 -24.068 -4.251 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -0.898 -23.665 -2.992 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -0.071 -25.062 -3.650 1.00 0.00 H new ATOM 0 HD1 TRP A 84 1.918 -24.154 -5.035 1.00 0.00 H new ATOM 0 HE1 TRP A 84 2.281 -22.326 -6.828 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -2.780 -22.143 -5.016 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 0.735 -20.314 -8.044 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -3.265 -20.260 -6.527 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -1.529 -19.361 -8.025 1.00 0.00 H new ATOM 1274 N LYS A 85 -1.359 -26.395 -6.048 1.00 0.00 N ATOM 1275 CA LYS A 85 -1.214 -26.919 -7.401 1.00 0.00 C ATOM 1276 C LYS A 85 -2.554 -26.922 -8.130 1.00 0.00 C ATOM 1277 O LYS A 85 -2.620 -26.643 -9.327 1.00 0.00 O ATOM 1278 CB LYS A 85 -0.640 -28.338 -7.362 1.00 0.00 C ATOM 1279 CG LYS A 85 0.819 -28.392 -6.943 1.00 0.00 C ATOM 1280 CD LYS A 85 1.271 -29.819 -6.682 1.00 0.00 C ATOM 1281 CE LYS A 85 2.543 -29.857 -5.849 1.00 0.00 C ATOM 1282 NZ LYS A 85 3.357 -31.071 -6.135 1.00 0.00 N ATOM 0 H LYS A 85 -0.919 -26.966 -5.326 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.526 -26.270 -7.943 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -1.230 -28.941 -6.672 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -0.743 -28.790 -8.348 1.00 0.00 H new ATOM 0 HG2 LYS A 85 1.439 -27.950 -7.723 1.00 0.00 H new ATOM 0 HG3 LYS A 85 0.963 -27.793 -6.043 1.00 0.00 H new ATOM 0 HD2 LYS A 85 0.480 -30.364 -6.166 1.00 0.00 H new ATOM 0 HD3 LYS A 85 1.441 -30.327 -7.631 1.00 0.00 H new ATOM 0 HE2 LYS A 85 3.137 -28.966 -6.052 1.00 0.00 H new ATOM 0 HE3 LYS A 85 2.285 -29.834 -4.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 4.215 -31.060 -5.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 2.800 -31.922 -5.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 3.625 -31.080 -7.140 1.00 0.00 H new ATOM 1296 N ASP A 86 -3.618 -27.237 -7.401 1.00 0.00 N ATOM 1297 CA ASP A 86 -4.957 -27.272 -7.978 1.00 0.00 C ATOM 1298 C ASP A 86 -5.169 -26.101 -8.932 1.00 0.00 C ATOM 1299 O ASP A 86 -5.406 -24.966 -8.517 1.00 0.00 O ATOM 1300 CB ASP A 86 -6.013 -27.243 -6.872 1.00 0.00 C ATOM 1301 CG ASP A 86 -5.664 -28.156 -5.713 1.00 0.00 C ATOM 1302 OD1 ASP A 86 -4.750 -28.993 -5.872 1.00 0.00 O ATOM 1303 OD2 ASP A 86 -6.304 -28.034 -4.647 1.00 0.00 O ATOM 0 H ASP A 86 -3.580 -27.472 -6.409 1.00 0.00 H new ATOM 0 HA ASP A 86 -5.058 -28.199 -8.542 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -6.123 -26.222 -6.506 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -6.977 -27.539 -7.286 1.00 0.00 H new ATOM 1308 N PRO A 87 -5.081 -26.380 -10.241 1.00 0.00 N ATOM 1309 CA PRO A 87 -5.259 -25.362 -11.281 1.00 0.00 C ATOM 1310 C PRO A 87 -6.703 -24.882 -11.380 1.00 0.00 C ATOM 1311 O PRO A 87 -6.991 -23.883 -12.038 1.00 0.00 O ATOM 1312 CB PRO A 87 -4.848 -26.090 -12.563 1.00 0.00 C ATOM 1313 CG PRO A 87 -5.084 -27.532 -12.272 1.00 0.00 C ATOM 1314 CD PRO A 87 -4.801 -27.710 -10.806 1.00 0.00 C ATOM 0 HA PRO A 87 -4.675 -24.465 -11.078 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -5.440 -25.756 -13.415 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -3.803 -25.901 -12.808 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -6.110 -27.815 -12.509 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -4.432 -28.164 -12.875 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -5.438 -28.477 -10.364 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -3.769 -28.012 -10.630 1.00 0.00 H new ATOM 1322 N ASN A 88 -7.607 -25.600 -10.722 1.00 0.00 N ATOM 1323 CA ASN A 88 -9.022 -25.246 -10.737 1.00 0.00 C ATOM 1324 C ASN A 88 -9.402 -24.471 -9.479 1.00 0.00 C ATOM 1325 O ASN A 88 -10.545 -24.523 -9.027 1.00 0.00 O ATOM 1326 CB ASN A 88 -9.883 -26.506 -10.853 1.00 0.00 C ATOM 1327 CG ASN A 88 -9.419 -27.423 -11.968 1.00 0.00 C ATOM 1328 OD1 ASN A 88 -8.953 -26.964 -13.011 1.00 0.00 O ATOM 1329 ND2 ASN A 88 -9.545 -28.727 -11.752 1.00 0.00 N ATOM 0 H ASN A 88 -7.385 -26.430 -10.172 1.00 0.00 H new ATOM 0 HA ASN A 88 -9.203 -24.609 -11.603 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -9.859 -27.047 -9.907 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -10.920 -26.219 -11.030 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -9.250 -29.393 -12.466 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -9.937 -29.063 -10.872 1.00 0.00 H new ATOM 1336 N ASN A 89 -8.435 -23.751 -8.920 1.00 0.00 N ATOM 1337 CA ASN A 89 -8.668 -22.964 -7.714 1.00 0.00 C ATOM 1338 C ASN A 89 -9.231 -21.590 -8.062 1.00 0.00 C ATOM 1339 O ASN A 89 -9.090 -21.117 -9.190 1.00 0.00 O ATOM 1340 CB ASN A 89 -7.368 -22.809 -6.922 1.00 0.00 C ATOM 1341 CG ASN A 89 -7.046 -24.038 -6.094 1.00 0.00 C ATOM 1342 OD1 ASN A 89 -7.909 -24.884 -5.856 1.00 0.00 O ATOM 1343 ND2 ASN A 89 -5.799 -24.142 -5.650 1.00 0.00 N ATOM 0 H ASN A 89 -7.483 -23.696 -9.282 1.00 0.00 H new ATOM 0 HA ASN A 89 -9.398 -23.492 -7.101 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -6.547 -22.613 -7.611 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -7.447 -21.942 -6.266 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -5.523 -24.947 -5.087 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -5.117 -23.417 -5.872 1.00 0.00 H new ATOM 1350 N ASP A 90 -9.869 -20.953 -7.086 1.00 0.00 N ATOM 1351 CA ASP A 90 -10.453 -19.632 -7.288 1.00 0.00 C ATOM 1352 C ASP A 90 -9.364 -18.579 -7.468 1.00 0.00 C ATOM 1353 O ASP A 90 -9.613 -17.499 -8.003 1.00 0.00 O ATOM 1354 CB ASP A 90 -11.348 -19.261 -6.105 1.00 0.00 C ATOM 1355 CG ASP A 90 -10.804 -19.769 -4.784 1.00 0.00 C ATOM 1356 OD1 ASP A 90 -9.878 -19.132 -4.239 1.00 0.00 O ATOM 1357 OD2 ASP A 90 -11.304 -20.803 -4.296 1.00 0.00 O ATOM 0 H ASP A 90 -9.995 -21.330 -6.147 1.00 0.00 H new ATOM 0 HA ASP A 90 -11.057 -19.663 -8.195 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -11.453 -18.177 -6.058 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -12.345 -19.671 -6.265 1.00 0.00 H new ATOM 1362 N PHE A 91 -8.156 -18.901 -7.016 1.00 0.00 N ATOM 1363 CA PHE A 91 -7.029 -17.982 -7.125 1.00 0.00 C ATOM 1364 C PHE A 91 -6.527 -17.905 -8.564 1.00 0.00 C ATOM 1365 O PHE A 91 -6.196 -16.829 -9.061 1.00 0.00 O ATOM 1366 CB PHE A 91 -5.893 -18.422 -6.199 1.00 0.00 C ATOM 1367 CG PHE A 91 -6.252 -18.369 -4.742 1.00 0.00 C ATOM 1368 CD1 PHE A 91 -6.158 -17.181 -4.035 1.00 0.00 C ATOM 1369 CD2 PHE A 91 -6.685 -19.506 -4.079 1.00 0.00 C ATOM 1370 CE1 PHE A 91 -6.487 -17.129 -2.694 1.00 0.00 C ATOM 1371 CE2 PHE A 91 -7.016 -19.460 -2.738 1.00 0.00 C ATOM 1372 CZ PHE A 91 -6.918 -18.270 -2.045 1.00 0.00 C ATOM 0 H PHE A 91 -7.933 -19.791 -6.571 1.00 0.00 H new ATOM 0 HA PHE A 91 -7.370 -16.991 -6.824 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -5.599 -19.440 -6.456 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -5.025 -17.786 -6.374 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -5.824 -16.286 -4.538 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -6.765 -20.439 -4.617 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -6.407 -16.197 -2.154 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -7.351 -20.354 -2.233 1.00 0.00 H new ATOM 0 HZ PHE A 91 -7.178 -18.231 -0.997 1.00 0.00 H new ATOM 1382 N ARG A 92 -6.473 -19.056 -9.227 1.00 0.00 N ATOM 1383 CA ARG A 92 -6.010 -19.120 -10.608 1.00 0.00 C ATOM 1384 C ARG A 92 -7.172 -18.942 -11.580 1.00 0.00 C ATOM 1385 O ARG A 92 -6.967 -18.771 -12.782 1.00 0.00 O ATOM 1386 CB ARG A 92 -5.310 -20.455 -10.872 1.00 0.00 C ATOM 1387 CG ARG A 92 -4.303 -20.837 -9.800 1.00 0.00 C ATOM 1388 CD ARG A 92 -3.932 -22.309 -9.883 1.00 0.00 C ATOM 1389 NE ARG A 92 -2.583 -22.563 -9.386 1.00 0.00 N ATOM 1390 CZ ARG A 92 -1.481 -22.280 -10.072 1.00 0.00 C ATOM 1391 NH1 ARG A 92 -1.569 -21.735 -11.277 1.00 0.00 N ATOM 1392 NH2 ARG A 92 -0.289 -22.540 -9.552 1.00 0.00 N ATOM 0 H ARG A 92 -6.744 -19.956 -8.830 1.00 0.00 H new ATOM 0 HA ARG A 92 -5.300 -18.308 -10.765 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -6.062 -21.241 -10.949 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -4.802 -20.405 -11.835 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -3.406 -20.228 -9.909 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -4.718 -20.620 -8.816 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -4.647 -22.896 -9.306 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -4.006 -22.643 -10.918 1.00 0.00 H new ATOM 0 HE ARG A 92 -2.481 -22.981 -8.461 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -2.484 -21.532 -11.679 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -0.722 -21.519 -11.802 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -0.217 -22.958 -8.624 1.00 0.00 H new ATOM 0 HH22 ARG A 92 0.556 -22.322 -10.080 1.00 0.00 H new ATOM 1406 N GLN A 93 -8.391 -18.983 -11.052 1.00 0.00 N ATOM 1407 CA GLN A 93 -9.585 -18.828 -11.873 1.00 0.00 C ATOM 1408 C GLN A 93 -10.126 -17.404 -11.783 1.00 0.00 C ATOM 1409 O GLN A 93 -10.520 -16.814 -12.789 1.00 0.00 O ATOM 1410 CB GLN A 93 -10.662 -19.823 -11.439 1.00 0.00 C ATOM 1411 CG GLN A 93 -10.240 -21.277 -11.582 1.00 0.00 C ATOM 1412 CD GLN A 93 -10.550 -21.841 -12.955 1.00 0.00 C ATOM 1413 OE1 GLN A 93 -11.707 -22.107 -13.283 1.00 0.00 O ATOM 1414 NE2 GLN A 93 -9.515 -22.027 -13.766 1.00 0.00 N ATOM 0 H GLN A 93 -8.577 -19.122 -10.059 1.00 0.00 H new ATOM 0 HA GLN A 93 -9.311 -19.029 -12.909 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -10.925 -19.630 -10.399 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -11.561 -19.654 -12.032 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -9.170 -21.362 -11.391 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -10.747 -21.875 -10.825 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -8.573 -21.793 -13.453 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -9.662 -22.404 -14.702 1.00 0.00 H new ATOM 1423 N LYS A 94 -10.142 -16.858 -10.572 1.00 0.00 N ATOM 1424 CA LYS A 94 -10.634 -15.504 -10.350 1.00 0.00 C ATOM 1425 C LYS A 94 -9.480 -14.507 -10.304 1.00 0.00 C ATOM 1426 O LYS A 94 -9.476 -13.512 -11.030 1.00 0.00 O ATOM 1427 CB LYS A 94 -11.432 -15.436 -9.046 1.00 0.00 C ATOM 1428 CG LYS A 94 -12.537 -16.474 -8.955 1.00 0.00 C ATOM 1429 CD LYS A 94 -13.832 -15.964 -9.564 1.00 0.00 C ATOM 1430 CE LYS A 94 -14.848 -17.083 -9.732 1.00 0.00 C ATOM 1431 NZ LYS A 94 -14.623 -17.852 -10.987 1.00 0.00 N ATOM 0 H LYS A 94 -9.820 -17.333 -9.729 1.00 0.00 H new ATOM 0 HA LYS A 94 -11.287 -15.241 -11.182 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -10.751 -15.568 -8.205 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -11.869 -14.442 -8.949 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -12.226 -17.384 -9.468 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -12.704 -16.738 -7.911 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -14.251 -15.183 -8.929 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -13.625 -15.510 -10.533 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -14.790 -17.757 -8.878 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -15.854 -16.663 -9.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -15.336 -18.605 -11.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -14.703 -17.214 -11.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -13.673 -18.275 -10.970 1.00 0.00 H new ATOM 1445 N LEU A 95 -8.501 -14.781 -9.448 1.00 0.00 N ATOM 1446 CA LEU A 95 -7.340 -13.909 -9.309 1.00 0.00 C ATOM 1447 C LEU A 95 -6.283 -14.238 -10.358 1.00 0.00 C ATOM 1448 O LEU A 95 -5.302 -13.511 -10.517 1.00 0.00 O ATOM 1449 CB LEU A 95 -6.743 -14.041 -7.907 1.00 0.00 C ATOM 1450 CG LEU A 95 -7.608 -13.522 -6.758 1.00 0.00 C ATOM 1451 CD1 LEU A 95 -7.007 -13.916 -5.418 1.00 0.00 C ATOM 1452 CD2 LEU A 95 -7.766 -12.011 -6.849 1.00 0.00 C ATOM 0 H LEU A 95 -8.488 -15.600 -8.840 1.00 0.00 H new ATOM 0 HA LEU A 95 -7.668 -12.881 -9.462 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -6.525 -15.093 -7.724 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -5.791 -13.510 -7.888 1.00 0.00 H new ATOM 0 HG LEU A 95 -8.596 -13.976 -6.839 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -7.636 -13.538 -4.612 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -6.946 -15.002 -5.352 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -6.008 -13.490 -5.328 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -8.385 -11.659 -6.023 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -6.785 -11.539 -6.794 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -8.242 -11.751 -7.795 1.00 0.00 H new ATOM 1464 N LYS A 96 -6.489 -15.339 -11.073 1.00 0.00 N ATOM 1465 CA LYS A 96 -5.556 -15.765 -12.110 1.00 0.00 C ATOM 1466 C LYS A 96 -4.114 -15.636 -11.630 1.00 0.00 C ATOM 1467 O LYS A 96 -3.254 -15.128 -12.350 1.00 0.00 O ATOM 1468 CB LYS A 96 -5.759 -14.934 -13.379 1.00 0.00 C ATOM 1469 CG LYS A 96 -7.083 -15.199 -14.074 1.00 0.00 C ATOM 1470 CD LYS A 96 -8.254 -14.667 -13.265 1.00 0.00 C ATOM 1471 CE LYS A 96 -9.464 -14.399 -14.147 1.00 0.00 C ATOM 1472 NZ LYS A 96 -10.484 -13.567 -13.451 1.00 0.00 N ATOM 0 H LYS A 96 -7.295 -15.953 -10.953 1.00 0.00 H new ATOM 0 HA LYS A 96 -5.753 -16.813 -12.334 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -5.697 -13.876 -13.124 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -4.945 -15.142 -14.074 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -7.078 -14.732 -15.059 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -7.205 -16.271 -14.230 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -8.519 -15.386 -12.490 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -7.960 -13.747 -12.759 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -9.144 -13.894 -15.059 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -9.912 -15.346 -14.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -11.352 -14.123 -13.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -10.116 -13.269 -12.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -10.698 -12.727 -14.026 1.00 0.00 H new ATOM 1486 N ILE A 97 -3.857 -16.100 -10.411 1.00 0.00 N ATOM 1487 CA ILE A 97 -2.519 -16.039 -9.838 1.00 0.00 C ATOM 1488 C ILE A 97 -1.499 -16.718 -10.747 1.00 0.00 C ATOM 1489 O ILE A 97 -1.859 -17.506 -11.622 1.00 0.00 O ATOM 1490 CB ILE A 97 -2.471 -16.701 -8.448 1.00 0.00 C ATOM 1491 CG1 ILE A 97 -3.446 -16.006 -7.495 1.00 0.00 C ATOM 1492 CG2 ILE A 97 -1.056 -16.659 -7.890 1.00 0.00 C ATOM 1493 CD1 ILE A 97 -3.112 -14.553 -7.242 1.00 0.00 C ATOM 0 H ILE A 97 -4.558 -16.522 -9.802 1.00 0.00 H new ATOM 0 HA ILE A 97 -2.267 -14.983 -9.738 1.00 0.00 H new ATOM 0 HB ILE A 97 -2.770 -17.744 -8.548 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -4.453 -16.072 -7.907 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -3.454 -16.539 -6.544 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -1.038 -17.130 -6.907 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -0.384 -17.194 -8.561 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -0.731 -15.623 -7.801 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -3.845 -14.125 -6.558 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -2.118 -14.480 -6.801 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -3.132 -14.006 -8.184 1.00 0.00 H new ATOM 1505 N THR A 98 -0.224 -16.408 -10.533 1.00 0.00 N ATOM 1506 CA THR A 98 0.848 -16.988 -11.332 1.00 0.00 C ATOM 1507 C THR A 98 1.647 -18.004 -10.524 1.00 0.00 C ATOM 1508 O THR A 98 1.654 -19.194 -10.839 1.00 0.00 O ATOM 1509 CB THR A 98 1.804 -15.903 -11.860 1.00 0.00 C ATOM 1510 OG1 THR A 98 1.054 -14.795 -12.370 1.00 0.00 O ATOM 1511 CG2 THR A 98 2.703 -16.460 -12.954 1.00 0.00 C ATOM 0 H THR A 98 0.091 -15.758 -9.813 1.00 0.00 H new ATOM 0 HA THR A 98 0.377 -17.490 -12.177 1.00 0.00 H new ATOM 0 HB THR A 98 2.430 -15.567 -11.033 1.00 0.00 H new ATOM 0 HG1 THR A 98 1.669 -14.109 -12.702 1.00 0.00 H new ATOM 0 HG21 THR A 98 3.370 -15.675 -13.312 1.00 0.00 H new ATOM 0 HG22 THR A 98 3.294 -17.284 -12.555 1.00 0.00 H new ATOM 0 HG23 THR A 98 2.090 -16.820 -13.780 1.00 0.00 H new ATOM 1519 N ALA A 99 2.319 -17.528 -9.481 1.00 0.00 N ATOM 1520 CA ALA A 99 3.119 -18.396 -8.627 1.00 0.00 C ATOM 1521 C ALA A 99 3.326 -17.773 -7.250 1.00 0.00 C ATOM 1522 O ALA A 99 3.870 -16.675 -7.131 1.00 0.00 O ATOM 1523 CB ALA A 99 4.460 -18.691 -9.282 1.00 0.00 C ATOM 0 H ALA A 99 2.325 -16.545 -9.207 1.00 0.00 H new ATOM 0 HA ALA A 99 2.578 -19.333 -8.495 1.00 0.00 H new ATOM 0 HB1 ALA A 99 5.047 -19.341 -8.633 1.00 0.00 H new ATOM 0 HB2 ALA A 99 4.296 -19.187 -10.239 1.00 0.00 H new ATOM 0 HB3 ALA A 99 4.999 -17.758 -9.444 1.00 0.00 H new ATOM 1529 N VAL A 100 2.888 -18.480 -6.214 1.00 0.00 N ATOM 1530 CA VAL A 100 3.026 -17.996 -4.845 1.00 0.00 C ATOM 1531 C VAL A 100 4.460 -18.144 -4.351 1.00 0.00 C ATOM 1532 O VAL A 100 5.195 -19.043 -4.763 1.00 0.00 O ATOM 1533 CB VAL A 100 2.084 -18.748 -3.886 1.00 0.00 C ATOM 1534 CG1 VAL A 100 0.636 -18.585 -4.323 1.00 0.00 C ATOM 1535 CG2 VAL A 100 2.464 -20.218 -3.811 1.00 0.00 C ATOM 0 H VAL A 100 2.434 -19.390 -6.296 1.00 0.00 H new ATOM 0 HA VAL A 100 2.756 -16.940 -4.854 1.00 0.00 H new ATOM 0 HB VAL A 100 2.189 -18.318 -2.890 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -0.015 -19.123 -3.634 1.00 0.00 H new ATOM 0 HG12 VAL A 100 0.372 -17.527 -4.321 1.00 0.00 H new ATOM 0 HG13 VAL A 100 0.512 -18.988 -5.328 1.00 0.00 H new ATOM 0 HG21 VAL A 100 1.788 -20.734 -3.129 1.00 0.00 H new ATOM 0 HG22 VAL A 100 2.389 -20.664 -4.803 1.00 0.00 H new ATOM 0 HG23 VAL A 100 3.487 -20.311 -3.447 1.00 0.00 H new ATOM 1545 N PRO A 101 4.871 -17.243 -3.447 1.00 0.00 N ATOM 1546 CA PRO A 101 4.006 -16.169 -2.950 1.00 0.00 C ATOM 1547 C PRO A 101 3.720 -15.115 -4.015 1.00 0.00 C ATOM 1548 O PRO A 101 4.628 -14.657 -4.710 1.00 0.00 O ATOM 1549 CB PRO A 101 4.817 -15.563 -1.802 1.00 0.00 C ATOM 1550 CG PRO A 101 6.235 -15.875 -2.133 1.00 0.00 C ATOM 1551 CD PRO A 101 6.212 -17.203 -2.840 1.00 0.00 C ATOM 0 HA PRO A 101 3.027 -16.541 -2.648 1.00 0.00 H new ATOM 0 HB2 PRO A 101 4.655 -14.488 -1.728 1.00 0.00 H new ATOM 0 HB3 PRO A 101 4.530 -15.995 -0.843 1.00 0.00 H new ATOM 0 HG2 PRO A 101 6.667 -15.102 -2.769 1.00 0.00 H new ATOM 0 HG3 PRO A 101 6.845 -15.923 -1.231 1.00 0.00 H new ATOM 0 HD2 PRO A 101 6.996 -17.271 -3.594 1.00 0.00 H new ATOM 0 HD3 PRO A 101 6.364 -18.030 -2.147 1.00 0.00 H new ATOM 1559 N THR A 102 2.453 -14.734 -4.139 1.00 0.00 N ATOM 1560 CA THR A 102 2.047 -13.735 -5.119 1.00 0.00 C ATOM 1561 C THR A 102 1.541 -12.469 -4.437 1.00 0.00 C ATOM 1562 O THR A 102 0.472 -12.467 -3.825 1.00 0.00 O ATOM 1563 CB THR A 102 0.948 -14.277 -6.052 1.00 0.00 C ATOM 1564 OG1 THR A 102 1.395 -15.478 -6.690 1.00 0.00 O ATOM 1565 CG2 THR A 102 0.576 -13.245 -7.107 1.00 0.00 C ATOM 0 H THR A 102 1.689 -15.103 -3.572 1.00 0.00 H new ATOM 0 HA THR A 102 2.930 -13.496 -5.711 1.00 0.00 H new ATOM 0 HB THR A 102 0.065 -14.493 -5.450 1.00 0.00 H new ATOM 0 HG1 THR A 102 2.374 -15.482 -6.730 1.00 0.00 H new ATOM 0 HG21 THR A 102 -0.202 -13.650 -7.754 1.00 0.00 H new ATOM 0 HG22 THR A 102 0.208 -12.342 -6.619 1.00 0.00 H new ATOM 0 HG23 THR A 102 1.455 -13.002 -7.704 1.00 0.00 H new ATOM 1573 N LEU A 103 2.313 -11.394 -4.548 1.00 0.00 N ATOM 1574 CA LEU A 103 1.941 -10.119 -3.942 1.00 0.00 C ATOM 1575 C LEU A 103 1.233 -9.222 -4.952 1.00 0.00 C ATOM 1576 O LEU A 103 1.876 -8.558 -5.766 1.00 0.00 O ATOM 1577 CB LEU A 103 3.182 -9.411 -3.395 1.00 0.00 C ATOM 1578 CG LEU A 103 2.934 -8.091 -2.665 1.00 0.00 C ATOM 1579 CD1 LEU A 103 2.259 -8.340 -1.326 1.00 0.00 C ATOM 1580 CD2 LEU A 103 4.240 -7.334 -2.473 1.00 0.00 C ATOM 0 H LEU A 103 3.200 -11.379 -5.051 1.00 0.00 H new ATOM 0 HA LEU A 103 1.254 -10.322 -3.120 1.00 0.00 H new ATOM 0 HB2 LEU A 103 3.692 -10.090 -2.712 1.00 0.00 H new ATOM 0 HB3 LEU A 103 3.863 -9.222 -4.225 1.00 0.00 H new ATOM 0 HG LEU A 103 2.269 -7.480 -3.276 1.00 0.00 H new ATOM 0 HD11 LEU A 103 2.091 -7.389 -0.821 1.00 0.00 H new ATOM 0 HD12 LEU A 103 1.304 -8.839 -1.487 1.00 0.00 H new ATOM 0 HD13 LEU A 103 2.898 -8.971 -0.708 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.044 -6.397 -1.952 1.00 0.00 H new ATOM 0 HD22 LEU A 103 4.929 -7.940 -1.884 1.00 0.00 H new ATOM 0 HD23 LEU A 103 4.684 -7.122 -3.446 1.00 0.00 H new ATOM 1592 N LEU A 104 -0.094 -9.206 -4.893 1.00 0.00 N ATOM 1593 CA LEU A 104 -0.890 -8.387 -5.801 1.00 0.00 C ATOM 1594 C LEU A 104 -1.346 -7.102 -5.118 1.00 0.00 C ATOM 1595 O LEU A 104 -1.864 -7.129 -4.001 1.00 0.00 O ATOM 1596 CB LEU A 104 -2.105 -9.174 -6.295 1.00 0.00 C ATOM 1597 CG LEU A 104 -3.279 -8.342 -6.813 1.00 0.00 C ATOM 1598 CD1 LEU A 104 -2.903 -7.638 -8.108 1.00 0.00 C ATOM 1599 CD2 LEU A 104 -4.506 -9.219 -7.016 1.00 0.00 C ATOM 0 H LEU A 104 -0.641 -9.750 -4.226 1.00 0.00 H new ATOM 0 HA LEU A 104 -0.265 -8.121 -6.653 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.780 -9.843 -7.092 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -2.463 -9.801 -5.479 1.00 0.00 H new ATOM 0 HG LEU A 104 -3.520 -7.584 -6.068 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -3.750 -7.051 -8.462 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -2.053 -6.979 -7.930 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -2.636 -8.379 -8.861 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.331 -8.610 -7.385 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -4.279 -10.000 -7.741 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -4.788 -9.676 -6.067 1.00 0.00 H new ATOM 1611 N LYS A 105 -1.152 -5.977 -5.797 1.00 0.00 N ATOM 1612 CA LYS A 105 -1.546 -4.680 -5.259 1.00 0.00 C ATOM 1613 C LYS A 105 -2.934 -4.285 -5.751 1.00 0.00 C ATOM 1614 O LYS A 105 -3.081 -3.714 -6.832 1.00 0.00 O ATOM 1615 CB LYS A 105 -0.528 -3.609 -5.657 1.00 0.00 C ATOM 1616 CG LYS A 105 -0.696 -2.300 -4.905 1.00 0.00 C ATOM 1617 CD LYS A 105 0.436 -1.333 -5.208 1.00 0.00 C ATOM 1618 CE LYS A 105 0.100 0.079 -4.755 1.00 0.00 C ATOM 1619 NZ LYS A 105 -1.016 0.665 -5.547 1.00 0.00 N ATOM 0 H LYS A 105 -0.724 -5.937 -6.722 1.00 0.00 H new ATOM 0 HA LYS A 105 -1.575 -4.759 -4.172 1.00 0.00 H new ATOM 0 HB2 LYS A 105 0.477 -3.992 -5.482 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -0.614 -3.417 -6.727 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -1.648 -1.843 -5.176 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -0.730 -2.497 -3.833 1.00 0.00 H new ATOM 0 HD2 LYS A 105 1.346 -1.669 -4.710 1.00 0.00 H new ATOM 0 HD3 LYS A 105 0.640 -1.334 -6.279 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -0.171 0.067 -3.699 1.00 0.00 H new ATOM 0 HE3 LYS A 105 0.983 0.711 -4.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -1.136 1.666 -5.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -0.798 0.592 -6.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -1.895 0.147 -5.344 1.00 0.00 H new ATOM 1633 N TYR A 106 -3.950 -4.592 -4.951 1.00 0.00 N ATOM 1634 CA TYR A 106 -5.327 -4.270 -5.307 1.00 0.00 C ATOM 1635 C TYR A 106 -5.442 -2.827 -5.788 1.00 0.00 C ATOM 1636 O TYR A 106 -5.235 -1.886 -5.023 1.00 0.00 O ATOM 1637 CB TYR A 106 -6.251 -4.495 -4.109 1.00 0.00 C ATOM 1638 CG TYR A 106 -7.663 -4.870 -4.496 1.00 0.00 C ATOM 1639 CD1 TYR A 106 -7.907 -5.873 -5.426 1.00 0.00 C ATOM 1640 CD2 TYR A 106 -8.755 -4.222 -3.930 1.00 0.00 C ATOM 1641 CE1 TYR A 106 -9.196 -6.218 -5.782 1.00 0.00 C ATOM 1642 CE2 TYR A 106 -10.047 -4.562 -4.280 1.00 0.00 C ATOM 1643 CZ TYR A 106 -10.263 -5.560 -5.207 1.00 0.00 C ATOM 1644 OH TYR A 106 -11.548 -5.902 -5.558 1.00 0.00 O ATOM 0 H TYR A 106 -3.846 -5.063 -4.052 1.00 0.00 H new ATOM 0 HA TYR A 106 -5.629 -4.930 -6.120 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -5.834 -5.283 -3.482 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -6.277 -3.588 -3.506 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -7.075 -6.392 -5.878 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -8.590 -3.439 -3.204 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -9.368 -7.000 -6.507 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -10.884 -4.049 -3.830 1.00 0.00 H new ATOM 0 HH TYR A 106 -12.182 -5.344 -5.061 1.00 0.00 H new ATOM 1654 N GLY A 107 -5.774 -2.660 -7.065 1.00 0.00 N ATOM 1655 CA GLY A 107 -5.912 -1.330 -7.628 1.00 0.00 C ATOM 1656 C GLY A 107 -5.001 -1.107 -8.819 1.00 0.00 C ATOM 1657 O GLY A 107 -5.350 -0.382 -9.751 1.00 0.00 O ATOM 0 H GLY A 107 -5.950 -3.422 -7.719 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -6.947 -1.173 -7.932 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -5.689 -0.589 -6.860 1.00 0.00 H new ATOM 1661 N THR A 108 -3.828 -1.732 -8.789 1.00 0.00 N ATOM 1662 CA THR A 108 -2.862 -1.596 -9.873 1.00 0.00 C ATOM 1663 C THR A 108 -2.360 -2.959 -10.336 1.00 0.00 C ATOM 1664 O THR A 108 -2.264 -3.909 -9.558 1.00 0.00 O ATOM 1665 CB THR A 108 -1.658 -0.735 -9.447 1.00 0.00 C ATOM 1666 OG1 THR A 108 -0.962 -1.365 -8.366 1.00 0.00 O ATOM 1667 CG2 THR A 108 -2.109 0.655 -9.025 1.00 0.00 C ATOM 0 H THR A 108 -3.524 -2.337 -8.026 1.00 0.00 H new ATOM 0 HA THR A 108 -3.378 -1.103 -10.697 1.00 0.00 H new ATOM 0 HB THR A 108 -0.988 -0.639 -10.302 1.00 0.00 H new ATOM 0 HG1 THR A 108 -1.347 -1.072 -7.514 1.00 0.00 H new ATOM 0 HG21 THR A 108 -1.242 1.245 -8.728 1.00 0.00 H new ATOM 0 HG22 THR A 108 -2.612 1.143 -9.860 1.00 0.00 H new ATOM 0 HG23 THR A 108 -2.798 0.574 -8.184 1.00 0.00 H new ATOM 1675 N PRO A 109 -2.031 -3.060 -11.632 1.00 0.00 N ATOM 1676 CA PRO A 109 -1.531 -4.303 -12.227 1.00 0.00 C ATOM 1677 C PRO A 109 -0.129 -4.655 -11.742 1.00 0.00 C ATOM 1678 O PRO A 109 0.454 -5.649 -12.174 1.00 0.00 O ATOM 1679 CB PRO A 109 -1.518 -3.998 -13.727 1.00 0.00 C ATOM 1680 CG PRO A 109 -1.389 -2.516 -13.811 1.00 0.00 C ATOM 1681 CD PRO A 109 -2.120 -1.968 -12.616 1.00 0.00 C ATOM 0 HA PRO A 109 -2.148 -5.161 -11.958 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -0.687 -4.497 -14.225 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -2.432 -4.344 -14.209 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -0.342 -2.214 -13.800 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -1.820 -2.139 -14.739 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -1.656 -1.054 -12.245 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -3.156 -1.725 -12.855 1.00 0.00 H new ATOM 1689 N GLN A 110 0.405 -3.834 -10.844 1.00 0.00 N ATOM 1690 CA GLN A 110 1.740 -4.060 -10.301 1.00 0.00 C ATOM 1691 C GLN A 110 1.723 -5.177 -9.263 1.00 0.00 C ATOM 1692 O GLN A 110 1.206 -5.006 -8.159 1.00 0.00 O ATOM 1693 CB GLN A 110 2.283 -2.774 -9.676 1.00 0.00 C ATOM 1694 CG GLN A 110 3.004 -1.874 -10.666 1.00 0.00 C ATOM 1695 CD GLN A 110 4.093 -1.044 -10.015 1.00 0.00 C ATOM 1696 OE1 GLN A 110 5.266 -1.148 -10.373 1.00 0.00 O ATOM 1697 NE2 GLN A 110 3.709 -0.212 -9.054 1.00 0.00 N ATOM 0 H GLN A 110 -0.065 -3.007 -10.477 1.00 0.00 H new ATOM 0 HA GLN A 110 2.393 -4.361 -11.120 1.00 0.00 H new ATOM 0 HB2 GLN A 110 1.457 -2.220 -9.229 1.00 0.00 H new ATOM 0 HB3 GLN A 110 2.967 -3.033 -8.868 1.00 0.00 H new ATOM 0 HG2 GLN A 110 3.441 -2.486 -11.455 1.00 0.00 H new ATOM 0 HG3 GLN A 110 2.281 -1.210 -11.141 1.00 0.00 H new ATOM 0 HE21 GLN A 110 2.725 -0.158 -8.789 1.00 0.00 H new ATOM 0 HE22 GLN A 110 4.398 0.373 -8.581 1.00 0.00 H new ATOM 1706 N LYS A 111 2.292 -6.322 -9.624 1.00 0.00 N ATOM 1707 CA LYS A 111 2.345 -7.468 -8.724 1.00 0.00 C ATOM 1708 C LYS A 111 3.759 -8.035 -8.647 1.00 0.00 C ATOM 1709 O LYS A 111 4.556 -7.870 -9.571 1.00 0.00 O ATOM 1710 CB LYS A 111 1.373 -8.554 -9.191 1.00 0.00 C ATOM 1711 CG LYS A 111 1.543 -8.935 -10.652 1.00 0.00 C ATOM 1712 CD LYS A 111 2.626 -9.985 -10.832 1.00 0.00 C ATOM 1713 CE LYS A 111 2.379 -10.834 -12.069 1.00 0.00 C ATOM 1714 NZ LYS A 111 3.651 -11.329 -12.666 1.00 0.00 N ATOM 0 H LYS A 111 2.723 -6.481 -10.534 1.00 0.00 H new ATOM 0 HA LYS A 111 2.053 -7.131 -7.729 1.00 0.00 H new ATOM 0 HB2 LYS A 111 1.510 -9.442 -8.574 1.00 0.00 H new ATOM 0 HB3 LYS A 111 0.352 -8.209 -9.031 1.00 0.00 H new ATOM 0 HG2 LYS A 111 0.599 -9.314 -11.042 1.00 0.00 H new ATOM 0 HG3 LYS A 111 1.795 -8.048 -11.233 1.00 0.00 H new ATOM 0 HD2 LYS A 111 3.597 -9.497 -10.912 1.00 0.00 H new ATOM 0 HD3 LYS A 111 2.663 -10.626 -9.951 1.00 0.00 H new ATOM 0 HE2 LYS A 111 1.747 -11.682 -11.807 1.00 0.00 H new ATOM 0 HE3 LYS A 111 1.835 -10.247 -12.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 3.495 -11.569 -13.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 4.378 -10.589 -12.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 3.969 -12.175 -12.152 1.00 0.00 H new ATOM 1728 N LEU A 112 4.063 -8.705 -7.541 1.00 0.00 N ATOM 1729 CA LEU A 112 5.381 -9.298 -7.344 1.00 0.00 C ATOM 1730 C LEU A 112 5.273 -10.804 -7.124 1.00 0.00 C ATOM 1731 O LEU A 112 4.501 -11.265 -6.283 1.00 0.00 O ATOM 1732 CB LEU A 112 6.082 -8.646 -6.151 1.00 0.00 C ATOM 1733 CG LEU A 112 6.223 -7.125 -6.204 1.00 0.00 C ATOM 1734 CD1 LEU A 112 6.788 -6.594 -4.896 1.00 0.00 C ATOM 1735 CD2 LEU A 112 7.104 -6.711 -7.374 1.00 0.00 C ATOM 0 H LEU A 112 3.415 -8.851 -6.767 1.00 0.00 H new ATOM 0 HA LEU A 112 5.970 -9.122 -8.244 1.00 0.00 H new ATOM 0 HB2 LEU A 112 5.535 -8.909 -5.246 1.00 0.00 H new ATOM 0 HB3 LEU A 112 7.078 -9.080 -6.059 1.00 0.00 H new ATOM 0 HG LEU A 112 5.233 -6.694 -6.350 1.00 0.00 H new ATOM 0 HD11 LEU A 112 6.881 -5.509 -4.953 1.00 0.00 H new ATOM 0 HD12 LEU A 112 6.119 -6.858 -4.077 1.00 0.00 H new ATOM 0 HD13 LEU A 112 7.770 -7.033 -4.719 1.00 0.00 H new ATOM 0 HD21 LEU A 112 7.193 -5.625 -7.396 1.00 0.00 H new ATOM 0 HD22 LEU A 112 8.093 -7.154 -7.259 1.00 0.00 H new ATOM 0 HD23 LEU A 112 6.657 -7.057 -8.306 1.00 0.00 H new ATOM 1747 N VAL A 113 6.054 -11.565 -7.884 1.00 0.00 N ATOM 1748 CA VAL A 113 6.049 -13.019 -7.770 1.00 0.00 C ATOM 1749 C VAL A 113 7.124 -13.498 -6.802 1.00 0.00 C ATOM 1750 O VAL A 113 7.914 -12.703 -6.294 1.00 0.00 O ATOM 1751 CB VAL A 113 6.270 -13.690 -9.139 1.00 0.00 C ATOM 1752 CG1 VAL A 113 5.558 -15.033 -9.197 1.00 0.00 C ATOM 1753 CG2 VAL A 113 5.797 -12.778 -10.261 1.00 0.00 C ATOM 0 H VAL A 113 6.698 -11.199 -8.585 1.00 0.00 H new ATOM 0 HA VAL A 113 5.068 -13.303 -7.388 1.00 0.00 H new ATOM 0 HB VAL A 113 7.338 -13.866 -9.270 1.00 0.00 H new ATOM 0 HG11 VAL A 113 5.726 -15.492 -10.171 1.00 0.00 H new ATOM 0 HG12 VAL A 113 5.949 -15.686 -8.416 1.00 0.00 H new ATOM 0 HG13 VAL A 113 4.489 -14.885 -9.045 1.00 0.00 H new ATOM 0 HG21 VAL A 113 5.960 -13.267 -11.221 1.00 0.00 H new ATOM 0 HG22 VAL A 113 4.735 -12.569 -10.136 1.00 0.00 H new ATOM 0 HG23 VAL A 113 6.357 -11.843 -10.230 1.00 0.00 H new ATOM 1763 N GLU A 114 7.148 -14.803 -6.552 1.00 0.00 N ATOM 1764 CA GLU A 114 8.128 -15.388 -5.643 1.00 0.00 C ATOM 1765 C GLU A 114 9.447 -14.623 -5.699 1.00 0.00 C ATOM 1766 O GLU A 114 9.900 -14.073 -4.696 1.00 0.00 O ATOM 1767 CB GLU A 114 8.363 -16.860 -5.991 1.00 0.00 C ATOM 1768 CG GLU A 114 7.086 -17.628 -6.285 1.00 0.00 C ATOM 1769 CD GLU A 114 7.281 -19.131 -6.220 1.00 0.00 C ATOM 1770 OE1 GLU A 114 7.764 -19.623 -5.180 1.00 0.00 O ATOM 1771 OE2 GLU A 114 6.950 -19.814 -7.212 1.00 0.00 O ATOM 0 H GLU A 114 6.501 -15.475 -6.965 1.00 0.00 H new ATOM 0 HA GLU A 114 7.732 -15.320 -4.630 1.00 0.00 H new ATOM 0 HB2 GLU A 114 9.020 -16.919 -6.859 1.00 0.00 H new ATOM 0 HB3 GLU A 114 8.884 -17.341 -5.163 1.00 0.00 H new ATOM 0 HG2 GLU A 114 6.317 -17.334 -5.571 1.00 0.00 H new ATOM 0 HG3 GLU A 114 6.722 -17.355 -7.276 1.00 0.00 H new ATOM 1778 N SER A 115 10.058 -14.595 -6.880 1.00 0.00 N ATOM 1779 CA SER A 115 11.327 -13.901 -7.067 1.00 0.00 C ATOM 1780 C SER A 115 11.224 -12.448 -6.615 1.00 0.00 C ATOM 1781 O SER A 115 12.072 -11.957 -5.871 1.00 0.00 O ATOM 1782 CB SER A 115 11.754 -13.962 -8.535 1.00 0.00 C ATOM 1783 OG SER A 115 12.804 -13.048 -8.798 1.00 0.00 O ATOM 0 H SER A 115 9.695 -15.044 -7.721 1.00 0.00 H new ATOM 0 HA SER A 115 12.079 -14.400 -6.456 1.00 0.00 H new ATOM 0 HB2 SER A 115 12.078 -14.973 -8.781 1.00 0.00 H new ATOM 0 HB3 SER A 115 10.901 -13.735 -9.175 1.00 0.00 H new ATOM 0 HG SER A 115 13.060 -13.107 -9.742 1.00 0.00 H new ATOM 1789 N GLU A 116 10.178 -11.766 -7.070 1.00 0.00 N ATOM 1790 CA GLU A 116 9.964 -10.368 -6.713 1.00 0.00 C ATOM 1791 C GLU A 116 9.435 -10.245 -5.287 1.00 0.00 C ATOM 1792 O GLU A 116 9.265 -9.141 -4.770 1.00 0.00 O ATOM 1793 CB GLU A 116 8.985 -9.713 -7.690 1.00 0.00 C ATOM 1794 CG GLU A 116 9.433 -9.785 -9.141 1.00 0.00 C ATOM 1795 CD GLU A 116 8.615 -8.888 -10.049 1.00 0.00 C ATOM 1796 OE1 GLU A 116 7.512 -9.305 -10.459 1.00 0.00 O ATOM 1797 OE2 GLU A 116 9.078 -7.767 -10.349 1.00 0.00 O ATOM 0 H GLU A 116 9.466 -12.158 -7.686 1.00 0.00 H new ATOM 0 HA GLU A 116 10.923 -9.854 -6.772 1.00 0.00 H new ATOM 0 HB2 GLU A 116 8.012 -10.195 -7.595 1.00 0.00 H new ATOM 0 HB3 GLU A 116 8.851 -8.668 -7.411 1.00 0.00 H new ATOM 0 HG2 GLU A 116 10.484 -9.502 -9.207 1.00 0.00 H new ATOM 0 HG3 GLU A 116 9.358 -10.815 -9.490 1.00 0.00 H new ATOM 1804 N CYS A 117 9.176 -11.387 -4.659 1.00 0.00 N ATOM 1805 CA CYS A 117 8.665 -11.408 -3.293 1.00 0.00 C ATOM 1806 C CYS A 117 9.797 -11.610 -2.291 1.00 0.00 C ATOM 1807 O CYS A 117 9.604 -11.467 -1.083 1.00 0.00 O ATOM 1808 CB CYS A 117 7.623 -12.516 -3.133 1.00 0.00 C ATOM 1809 SG CYS A 117 6.032 -12.151 -3.911 1.00 0.00 S ATOM 0 H CYS A 117 9.311 -12.309 -5.073 1.00 0.00 H new ATOM 0 HA CYS A 117 8.195 -10.445 -3.093 1.00 0.00 H new ATOM 0 HB2 CYS A 117 8.020 -13.438 -3.558 1.00 0.00 H new ATOM 0 HB3 CYS A 117 7.462 -12.698 -2.070 1.00 0.00 H new ATOM 0 HG CYS A 117 5.375 -13.257 -4.094 1.00 0.00 H new ATOM 1815 N CYS A 118 10.977 -11.945 -2.801 1.00 0.00 N ATOM 1816 CA CYS A 118 12.141 -12.169 -1.951 1.00 0.00 C ATOM 1817 C CYS A 118 13.122 -11.006 -2.053 1.00 0.00 C ATOM 1818 O CYS A 118 14.041 -10.884 -1.243 1.00 0.00 O ATOM 1819 CB CYS A 118 12.838 -13.475 -2.339 1.00 0.00 C ATOM 1820 SG CYS A 118 14.479 -13.681 -1.609 1.00 0.00 S ATOM 0 H CYS A 118 11.153 -12.067 -3.798 1.00 0.00 H new ATOM 0 HA CYS A 118 11.797 -12.241 -0.919 1.00 0.00 H new ATOM 0 HB2 CYS A 118 12.210 -14.313 -2.037 1.00 0.00 H new ATOM 0 HB3 CYS A 118 12.927 -13.518 -3.425 1.00 0.00 H new ATOM 0 HG CYS A 118 14.908 -12.533 -1.174 1.00 0.00 H new ATOM 1826 N GLN A 119 12.920 -10.155 -3.054 1.00 0.00 N ATOM 1827 CA GLN A 119 13.789 -9.002 -3.263 1.00 0.00 C ATOM 1828 C GLN A 119 13.202 -7.754 -2.612 1.00 0.00 C ATOM 1829 O GLN A 119 12.075 -7.358 -2.909 1.00 0.00 O ATOM 1830 CB GLN A 119 14.000 -8.761 -4.758 1.00 0.00 C ATOM 1831 CG GLN A 119 15.083 -9.636 -5.369 1.00 0.00 C ATOM 1832 CD GLN A 119 15.221 -10.971 -4.664 1.00 0.00 C ATOM 1833 OE1 GLN A 119 15.890 -11.077 -3.636 1.00 0.00 O ATOM 1834 NE2 GLN A 119 14.586 -11.999 -5.214 1.00 0.00 N ATOM 0 H GLN A 119 12.163 -10.242 -3.732 1.00 0.00 H new ATOM 0 HA GLN A 119 14.751 -9.214 -2.797 1.00 0.00 H new ATOM 0 HB2 GLN A 119 13.061 -8.940 -5.282 1.00 0.00 H new ATOM 0 HB3 GLN A 119 14.259 -7.714 -4.916 1.00 0.00 H new ATOM 0 HG2 GLN A 119 14.856 -9.807 -6.421 1.00 0.00 H new ATOM 0 HG3 GLN A 119 16.036 -9.109 -5.330 1.00 0.00 H new ATOM 0 HE21 GLN A 119 14.043 -11.866 -6.067 1.00 0.00 H new ATOM 0 HE22 GLN A 119 14.642 -12.922 -4.784 1.00 0.00 H new ATOM 1843 N SER A 120 13.974 -7.138 -1.723 1.00 0.00 N ATOM 1844 CA SER A 120 13.530 -5.936 -1.026 1.00 0.00 C ATOM 1845 C SER A 120 13.542 -4.730 -1.961 1.00 0.00 C ATOM 1846 O SER A 120 12.697 -3.841 -1.857 1.00 0.00 O ATOM 1847 CB SER A 120 14.421 -5.665 0.187 1.00 0.00 C ATOM 1848 OG SER A 120 15.499 -4.809 -0.153 1.00 0.00 O ATOM 0 H SER A 120 14.911 -7.451 -1.468 1.00 0.00 H new ATOM 0 HA SER A 120 12.507 -6.100 -0.686 1.00 0.00 H new ATOM 0 HB2 SER A 120 13.830 -5.212 0.983 1.00 0.00 H new ATOM 0 HB3 SER A 120 14.809 -6.607 0.575 1.00 0.00 H new ATOM 0 HG SER A 120 16.053 -4.650 0.640 1.00 0.00 H new ATOM 1854 N SER A 121 14.508 -4.708 -2.875 1.00 0.00 N ATOM 1855 CA SER A 121 14.634 -3.610 -3.826 1.00 0.00 C ATOM 1856 C SER A 121 13.328 -3.395 -4.584 1.00 0.00 C ATOM 1857 O SER A 121 13.016 -2.279 -5.002 1.00 0.00 O ATOM 1858 CB SER A 121 15.769 -3.891 -4.813 1.00 0.00 C ATOM 1859 OG SER A 121 16.996 -3.361 -4.344 1.00 0.00 O ATOM 0 H SER A 121 15.214 -5.437 -2.976 1.00 0.00 H new ATOM 0 HA SER A 121 14.863 -2.702 -3.267 1.00 0.00 H new ATOM 0 HB2 SER A 121 15.867 -4.966 -4.962 1.00 0.00 H new ATOM 0 HB3 SER A 121 15.528 -3.455 -5.783 1.00 0.00 H new ATOM 0 HG SER A 121 17.705 -3.555 -4.992 1.00 0.00 H new ATOM 1865 N LEU A 122 12.568 -4.470 -4.758 1.00 0.00 N ATOM 1866 CA LEU A 122 11.294 -4.401 -5.465 1.00 0.00 C ATOM 1867 C LEU A 122 10.141 -4.182 -4.490 1.00 0.00 C ATOM 1868 O LEU A 122 9.170 -3.495 -4.805 1.00 0.00 O ATOM 1869 CB LEU A 122 11.063 -5.683 -6.267 1.00 0.00 C ATOM 1870 CG LEU A 122 11.989 -5.903 -7.463 1.00 0.00 C ATOM 1871 CD1 LEU A 122 11.899 -7.340 -7.951 1.00 0.00 C ATOM 1872 CD2 LEU A 122 11.648 -4.934 -8.586 1.00 0.00 C ATOM 0 H LEU A 122 12.812 -5.401 -4.419 1.00 0.00 H new ATOM 0 HA LEU A 122 11.332 -3.554 -6.150 1.00 0.00 H new ATOM 0 HB2 LEU A 122 11.166 -6.533 -5.592 1.00 0.00 H new ATOM 0 HB3 LEU A 122 10.034 -5.683 -6.625 1.00 0.00 H new ATOM 0 HG LEU A 122 13.014 -5.713 -7.144 1.00 0.00 H new ATOM 0 HD11 LEU A 122 12.565 -7.477 -8.803 1.00 0.00 H new ATOM 0 HD12 LEU A 122 12.193 -8.016 -7.148 1.00 0.00 H new ATOM 0 HD13 LEU A 122 10.875 -7.558 -8.253 1.00 0.00 H new ATOM 0 HD21 LEU A 122 12.317 -5.105 -9.429 1.00 0.00 H new ATOM 0 HD22 LEU A 122 10.617 -5.092 -8.903 1.00 0.00 H new ATOM 0 HD23 LEU A 122 11.765 -3.910 -8.231 1.00 0.00 H new ATOM 1884 N VAL A 123 10.256 -4.770 -3.304 1.00 0.00 N ATOM 1885 CA VAL A 123 9.226 -4.637 -2.281 1.00 0.00 C ATOM 1886 C VAL A 123 9.039 -3.179 -1.876 1.00 0.00 C ATOM 1887 O VAL A 123 7.923 -2.661 -1.886 1.00 0.00 O ATOM 1888 CB VAL A 123 9.567 -5.467 -1.029 1.00 0.00 C ATOM 1889 CG1 VAL A 123 8.576 -5.179 0.089 1.00 0.00 C ATOM 1890 CG2 VAL A 123 9.589 -6.951 -1.364 1.00 0.00 C ATOM 0 H VAL A 123 11.053 -5.344 -3.028 1.00 0.00 H new ATOM 0 HA VAL A 123 8.299 -5.012 -2.715 1.00 0.00 H new ATOM 0 HB VAL A 123 10.561 -5.181 -0.684 1.00 0.00 H new ATOM 0 HG11 VAL A 123 8.833 -5.774 0.965 1.00 0.00 H new ATOM 0 HG12 VAL A 123 8.615 -4.120 0.346 1.00 0.00 H new ATOM 0 HG13 VAL A 123 7.570 -5.436 -0.242 1.00 0.00 H new ATOM 0 HG21 VAL A 123 9.832 -7.523 -0.468 1.00 0.00 H new ATOM 0 HG22 VAL A 123 8.610 -7.255 -1.734 1.00 0.00 H new ATOM 0 HG23 VAL A 123 10.341 -7.140 -2.130 1.00 0.00 H new ATOM 1900 N GLU A 124 10.139 -2.524 -1.520 1.00 0.00 N ATOM 1901 CA GLU A 124 10.095 -1.125 -1.111 1.00 0.00 C ATOM 1902 C GLU A 124 9.630 -0.236 -2.261 1.00 0.00 C ATOM 1903 O GLU A 124 9.271 0.923 -2.057 1.00 0.00 O ATOM 1904 CB GLU A 124 11.473 -0.669 -0.624 1.00 0.00 C ATOM 1905 CG GLU A 124 12.525 -0.636 -1.720 1.00 0.00 C ATOM 1906 CD GLU A 124 13.818 0.013 -1.267 1.00 0.00 C ATOM 1907 OE1 GLU A 124 14.123 -0.054 -0.058 1.00 0.00 O ATOM 1908 OE2 GLU A 124 14.525 0.587 -2.121 1.00 0.00 O ATOM 0 H GLU A 124 11.071 -2.939 -1.506 1.00 0.00 H new ATOM 0 HA GLU A 124 9.380 -1.035 -0.293 1.00 0.00 H new ATOM 0 HB2 GLU A 124 11.384 0.326 -0.187 1.00 0.00 H new ATOM 0 HB3 GLU A 124 11.808 -1.337 0.170 1.00 0.00 H new ATOM 0 HG2 GLU A 124 12.730 -1.654 -2.052 1.00 0.00 H new ATOM 0 HG3 GLU A 124 12.132 -0.093 -2.580 1.00 0.00 H new ATOM 1915 N MET A 125 9.641 -0.788 -3.470 1.00 0.00 N ATOM 1916 CA MET A 125 9.220 -0.046 -4.652 1.00 0.00 C ATOM 1917 C MET A 125 7.707 -0.115 -4.827 1.00 0.00 C ATOM 1918 O MET A 125 7.027 0.912 -4.844 1.00 0.00 O ATOM 1919 CB MET A 125 9.915 -0.596 -5.900 1.00 0.00 C ATOM 1920 CG MET A 125 9.922 0.375 -7.069 1.00 0.00 C ATOM 1921 SD MET A 125 10.065 -0.457 -8.662 1.00 0.00 S ATOM 1922 CE MET A 125 8.544 -1.403 -8.687 1.00 0.00 C ATOM 0 H MET A 125 9.937 -1.746 -3.656 1.00 0.00 H new ATOM 0 HA MET A 125 9.505 0.997 -4.516 1.00 0.00 H new ATOM 0 HB2 MET A 125 10.943 -0.856 -5.648 1.00 0.00 H new ATOM 0 HB3 MET A 125 9.419 -1.517 -6.206 1.00 0.00 H new ATOM 0 HG2 MET A 125 9.005 0.964 -7.052 1.00 0.00 H new ATOM 0 HG3 MET A 125 10.751 1.072 -6.952 1.00 0.00 H new ATOM 0 HE1 MET A 125 8.221 -1.545 -9.718 1.00 0.00 H new ATOM 0 HE2 MET A 125 8.712 -2.374 -8.222 1.00 0.00 H new ATOM 0 HE3 MET A 125 7.772 -0.866 -8.136 1.00 0.00 H new ATOM 1932 N ILE A 126 7.185 -1.330 -4.957 1.00 0.00 N ATOM 1933 CA ILE A 126 5.752 -1.532 -5.129 1.00 0.00 C ATOM 1934 C ILE A 126 4.957 -0.745 -4.092 1.00 0.00 C ATOM 1935 O ILE A 126 3.802 -0.387 -4.320 1.00 0.00 O ATOM 1936 CB ILE A 126 5.376 -3.022 -5.026 1.00 0.00 C ATOM 1937 CG1 ILE A 126 3.910 -3.228 -5.410 1.00 0.00 C ATOM 1938 CG2 ILE A 126 5.638 -3.537 -3.618 1.00 0.00 C ATOM 1939 CD1 ILE A 126 3.632 -4.581 -6.028 1.00 0.00 C ATOM 0 H ILE A 126 7.734 -2.190 -4.946 1.00 0.00 H new ATOM 0 HA ILE A 126 5.501 -1.171 -6.126 1.00 0.00 H new ATOM 0 HB ILE A 126 5.997 -3.588 -5.721 1.00 0.00 H new ATOM 0 HG12 ILE A 126 3.290 -3.109 -4.522 1.00 0.00 H new ATOM 0 HG13 ILE A 126 3.614 -2.449 -6.112 1.00 0.00 H new ATOM 0 HG21 ILE A 126 5.368 -4.591 -3.560 1.00 0.00 H new ATOM 0 HG22 ILE A 126 6.695 -3.420 -3.378 1.00 0.00 H new ATOM 0 HG23 ILE A 126 5.039 -2.969 -2.906 1.00 0.00 H new ATOM 0 HD11 ILE A 126 2.573 -4.657 -6.275 1.00 0.00 H new ATOM 0 HD12 ILE A 126 4.226 -4.696 -6.935 1.00 0.00 H new ATOM 0 HD13 ILE A 126 3.897 -5.366 -5.320 1.00 0.00 H new ATOM 1951 N PHE A 127 5.586 -0.478 -2.952 1.00 0.00 N ATOM 1952 CA PHE A 127 4.938 0.267 -1.879 1.00 0.00 C ATOM 1953 C PHE A 127 5.151 1.768 -2.054 1.00 0.00 C ATOM 1954 O PHE A 127 4.254 2.568 -1.787 1.00 0.00 O ATOM 1955 CB PHE A 127 5.478 -0.181 -0.519 1.00 0.00 C ATOM 1956 CG PHE A 127 5.057 -1.571 -0.136 1.00 0.00 C ATOM 1957 CD1 PHE A 127 3.739 -1.973 -0.275 1.00 0.00 C ATOM 1958 CD2 PHE A 127 5.980 -2.476 0.364 1.00 0.00 C ATOM 1959 CE1 PHE A 127 3.348 -3.251 0.078 1.00 0.00 C ATOM 1960 CE2 PHE A 127 5.596 -3.755 0.718 1.00 0.00 C ATOM 1961 CZ PHE A 127 4.279 -4.143 0.574 1.00 0.00 C ATOM 0 H PHE A 127 6.543 -0.766 -2.748 1.00 0.00 H new ATOM 0 HA PHE A 127 3.868 0.062 -1.923 1.00 0.00 H new ATOM 0 HB2 PHE A 127 6.567 -0.131 -0.535 1.00 0.00 H new ATOM 0 HB3 PHE A 127 5.138 0.517 0.246 1.00 0.00 H new ATOM 0 HD1 PHE A 127 3.008 -1.280 -0.664 1.00 0.00 H new ATOM 0 HD2 PHE A 127 7.012 -2.178 0.478 1.00 0.00 H new ATOM 0 HE1 PHE A 127 2.317 -3.552 -0.034 1.00 0.00 H new ATOM 0 HE2 PHE A 127 6.325 -4.450 1.107 1.00 0.00 H new ATOM 0 HZ PHE A 127 3.977 -5.143 0.849 1.00 0.00 H new ATOM 1971 N SER A 128 6.345 2.142 -2.503 1.00 0.00 N ATOM 1972 CA SER A 128 6.678 3.546 -2.709 1.00 0.00 C ATOM 1973 C SER A 128 5.839 4.144 -3.834 1.00 0.00 C ATOM 1974 O SER A 128 5.227 5.200 -3.672 1.00 0.00 O ATOM 1975 CB SER A 128 8.166 3.697 -3.033 1.00 0.00 C ATOM 1976 OG SER A 128 8.945 3.731 -1.849 1.00 0.00 O ATOM 0 H SER A 128 7.097 1.492 -2.731 1.00 0.00 H new ATOM 0 HA SER A 128 6.457 4.085 -1.788 1.00 0.00 H new ATOM 0 HB2 SER A 128 8.490 2.868 -3.662 1.00 0.00 H new ATOM 0 HB3 SER A 128 8.326 4.612 -3.604 1.00 0.00 H new ATOM 0 HG SER A 128 9.241 2.824 -1.626 1.00 0.00 H new