USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 867 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 76 CYS SG : rot -171:sc= 0.708 USER MOD Set 1.2: A 79 CYS SG : rot 99:sc= 0.638 USER MOD Set 1.3: A 93 CYS SG : rot 144:sc= 1.19 USER MOD Set 1.4: A 96 CYS SG : rot -43:sc= 1.46 USER MOD Set 1.5: A 100 ASN : amide:sc= -0.745 K(o=3.3,f=2.1) USER MOD Set 2.1: A 16 CYS SG : rot 180:sc= -0.0803 USER MOD Set 2.2: A 57 SER OG : rot 80:sc=-0.00514 USER MOD Set 2.3: A 60 CYS SG : rot 93:sc= -0.351 USER MOD Single : A 4 HIS : no HD1:sc= -0.0208 X(o=-0.021,f=-0.021) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc=-0.00665 X(o=-0.0066,f=-0.004) USER MOD Single : A 21 LYS NZ :NH3+ -165:sc= 1.23 (180deg=0.921) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.037 K(o=-0.037,f=-1) USER MOD Single : A 24 GLN : amide:sc= 0.482 X(o=0.48,f=0) USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.157) USER MOD Single : A 39 SER OG : rot 180:sc= 0.122 USER MOD Single : A 41 MET CE :methyl -159:sc= 0 (180deg=-0.314) USER MOD Single : A 43 LYS NZ :NH3+ 166:sc= 1.26 (180deg=1.2) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 76:sc= 1.17 USER MOD Single : A 61 LYS NZ :NH3+ 150:sc= 1.27 (180deg=1.03) USER MOD Single : A 71 LYS NZ :NH3+ 168:sc= 1.26 (180deg=1.15) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot -49:sc= 0.153 USER MOD Single : A 81 HIS : no HD1:sc= -0.284 K(o=-0.28,f=-1) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc=-0.00486 X(o=-0.0049,f=-0.0049) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot 143:sc= 1.28 USER MOD Single : A 105 GLN : amide:sc= 1.53 K(o=1.5,f=-0.052) USER MOD Single : A 107 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 MET CE :methyl -118:sc= -0.498 (180deg=-1.08) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 MET CE :methyl 171:sc= 0 (180deg=-0.0525) USER MOD ----------------------------------------------------------------- ATOM 38 N HIS A 4 -16.196 9.741 -3.437 1.00 0.00 N ATOM 39 CA HIS A 4 -15.521 8.958 -2.390 1.00 0.00 C ATOM 40 C HIS A 4 -14.111 8.489 -2.792 1.00 0.00 C ATOM 41 O HIS A 4 -13.196 8.506 -1.969 1.00 0.00 O ATOM 42 CB HIS A 4 -16.410 7.773 -1.972 1.00 0.00 C ATOM 43 CG HIS A 4 -16.492 6.658 -2.990 1.00 0.00 C ATOM 44 ND1 HIS A 4 -17.186 6.688 -4.181 1.00 0.00 N ATOM 45 CD2 HIS A 4 -15.869 5.441 -2.906 1.00 0.00 C ATOM 46 CE1 HIS A 4 -16.985 5.515 -4.808 1.00 0.00 C ATOM 47 NE2 HIS A 4 -16.188 4.723 -4.068 1.00 0.00 N ATOM 0 HA HIS A 4 -15.374 9.619 -1.536 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -16.032 7.365 -1.035 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -17.416 8.142 -1.775 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -15.246 5.097 -2.094 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -17.403 5.248 -5.767 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -15.876 3.782 -4.306 1.00 0.00 H new ATOM 55 N GLU A 5 -13.893 8.125 -4.062 1.00 0.00 N ATOM 56 CA GLU A 5 -12.591 7.683 -4.597 1.00 0.00 C ATOM 57 C GLU A 5 -11.467 8.726 -4.430 1.00 0.00 C ATOM 58 O GLU A 5 -10.299 8.375 -4.251 1.00 0.00 O ATOM 59 CB GLU A 5 -12.754 7.261 -6.068 1.00 0.00 C ATOM 60 CG GLU A 5 -13.143 8.407 -7.022 1.00 0.00 C ATOM 61 CD GLU A 5 -13.441 7.866 -8.435 1.00 0.00 C ATOM 62 OE1 GLU A 5 -12.491 7.670 -9.232 1.00 0.00 O ATOM 63 OE2 GLU A 5 -14.628 7.625 -8.758 1.00 0.00 O ATOM 0 H GLU A 5 -14.632 8.128 -4.765 1.00 0.00 H new ATOM 0 HA GLU A 5 -12.274 6.825 -4.004 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -11.818 6.820 -6.412 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -13.514 6.482 -6.127 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -14.019 8.927 -6.635 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -12.335 9.137 -7.070 1.00 0.00 H new ATOM 70 N TYR A 6 -11.826 10.014 -4.419 1.00 0.00 N ATOM 71 CA TYR A 6 -10.915 11.143 -4.209 1.00 0.00 C ATOM 72 C TYR A 6 -10.402 11.279 -2.763 1.00 0.00 C ATOM 73 O TYR A 6 -9.520 12.100 -2.509 1.00 0.00 O ATOM 74 CB TYR A 6 -11.604 12.431 -4.680 1.00 0.00 C ATOM 75 CG TYR A 6 -12.080 12.374 -6.122 1.00 0.00 C ATOM 76 CD1 TYR A 6 -11.140 12.219 -7.161 1.00 0.00 C ATOM 77 CD2 TYR A 6 -13.453 12.466 -6.426 1.00 0.00 C ATOM 78 CE1 TYR A 6 -11.565 12.163 -8.502 1.00 0.00 C ATOM 79 CE2 TYR A 6 -13.882 12.405 -7.765 1.00 0.00 C ATOM 80 CZ TYR A 6 -12.943 12.252 -8.807 1.00 0.00 C ATOM 81 OH TYR A 6 -13.372 12.198 -10.098 1.00 0.00 O ATOM 0 H TYR A 6 -12.792 10.309 -4.561 1.00 0.00 H new ATOM 0 HA TYR A 6 -10.020 10.952 -4.802 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -12.457 12.635 -4.032 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -10.912 13.265 -4.567 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -10.088 12.143 -6.927 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -14.176 12.583 -5.632 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -10.841 12.052 -9.295 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -14.935 12.476 -7.996 1.00 0.00 H new ATOM 0 HH TYR A 6 -14.349 12.273 -10.122 1.00 0.00 H new ATOM 91 N SER A 7 -10.900 10.468 -1.819 1.00 0.00 N ATOM 92 CA SER A 7 -10.418 10.411 -0.431 1.00 0.00 C ATOM 93 C SER A 7 -8.909 10.143 -0.362 1.00 0.00 C ATOM 94 O SER A 7 -8.175 10.934 0.233 1.00 0.00 O ATOM 95 CB SER A 7 -11.207 9.358 0.355 1.00 0.00 C ATOM 96 OG SER A 7 -10.799 9.343 1.712 1.00 0.00 O ATOM 0 H SER A 7 -11.665 9.819 -2.003 1.00 0.00 H new ATOM 0 HA SER A 7 -10.585 11.386 0.027 1.00 0.00 H new ATOM 0 HB2 SER A 7 -12.274 9.573 0.292 1.00 0.00 H new ATOM 0 HB3 SER A 7 -11.053 8.374 -0.088 1.00 0.00 H new ATOM 0 HG SER A 7 -11.313 8.667 2.201 1.00 0.00 H new ATOM 102 N VAL A 8 -8.421 9.091 -1.042 1.00 0.00 N ATOM 103 CA VAL A 8 -6.976 8.799 -1.162 1.00 0.00 C ATOM 104 C VAL A 8 -6.241 9.981 -1.782 1.00 0.00 C ATOM 105 O VAL A 8 -5.235 10.441 -1.253 1.00 0.00 O ATOM 106 CB VAL A 8 -6.660 7.562 -2.029 1.00 0.00 C ATOM 107 CG1 VAL A 8 -5.244 7.059 -1.726 1.00 0.00 C ATOM 108 CG2 VAL A 8 -7.625 6.397 -1.839 1.00 0.00 C ATOM 0 H VAL A 8 -9.015 8.417 -1.525 1.00 0.00 H new ATOM 0 HA VAL A 8 -6.643 8.602 -0.143 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.760 7.901 -3.060 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -5.029 6.186 -2.342 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -4.523 7.846 -1.947 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.172 6.787 -0.673 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.330 5.571 -2.485 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -7.601 6.071 -0.799 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -8.635 6.716 -2.096 1.00 0.00 H new ATOM 118 N VAL A 9 -6.752 10.465 -2.915 1.00 0.00 N ATOM 119 CA VAL A 9 -6.116 11.455 -3.783 1.00 0.00 C ATOM 120 C VAL A 9 -5.846 12.768 -3.037 1.00 0.00 C ATOM 121 O VAL A 9 -4.702 13.205 -2.917 1.00 0.00 O ATOM 122 CB VAL A 9 -7.014 11.707 -5.007 1.00 0.00 C ATOM 123 CG1 VAL A 9 -6.359 12.662 -6.005 1.00 0.00 C ATOM 124 CG2 VAL A 9 -7.348 10.407 -5.754 1.00 0.00 C ATOM 0 H VAL A 9 -7.661 10.164 -3.267 1.00 0.00 H new ATOM 0 HA VAL A 9 -5.152 11.063 -4.108 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.928 12.150 -4.612 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -7.025 12.814 -6.854 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.166 13.619 -5.520 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.418 12.235 -6.353 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -7.984 10.632 -6.610 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -6.426 9.939 -6.099 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.872 9.726 -5.083 1.00 0.00 H new ATOM 134 N SER A 10 -6.908 13.378 -2.501 1.00 0.00 N ATOM 135 CA SER A 10 -6.861 14.582 -1.665 1.00 0.00 C ATOM 136 C SER A 10 -5.976 14.387 -0.427 1.00 0.00 C ATOM 137 O SER A 10 -5.161 15.255 -0.110 1.00 0.00 O ATOM 138 CB SER A 10 -8.291 14.959 -1.253 1.00 0.00 C ATOM 139 OG SER A 10 -8.321 16.153 -0.487 1.00 0.00 O ATOM 0 H SER A 10 -7.858 13.035 -2.642 1.00 0.00 H new ATOM 0 HA SER A 10 -6.416 15.390 -2.246 1.00 0.00 H new ATOM 0 HB2 SER A 10 -8.905 15.084 -2.145 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.729 14.145 -0.675 1.00 0.00 H new ATOM 0 HG SER A 10 -9.247 16.363 -0.244 1.00 0.00 H new ATOM 145 N SER A 11 -6.080 13.231 0.243 1.00 0.00 N ATOM 146 CA SER A 11 -5.270 12.908 1.432 1.00 0.00 C ATOM 147 C SER A 11 -3.768 12.863 1.115 1.00 0.00 C ATOM 148 O SER A 11 -2.971 13.513 1.794 1.00 0.00 O ATOM 149 CB SER A 11 -5.731 11.583 2.054 1.00 0.00 C ATOM 150 OG SER A 11 -5.025 11.306 3.254 1.00 0.00 O ATOM 0 H SER A 11 -6.729 12.490 -0.023 1.00 0.00 H new ATOM 0 HA SER A 11 -5.423 13.710 2.155 1.00 0.00 H new ATOM 0 HB2 SER A 11 -6.800 11.628 2.260 1.00 0.00 H new ATOM 0 HB3 SER A 11 -5.577 10.771 1.343 1.00 0.00 H new ATOM 0 HG SER A 11 -5.339 10.457 3.630 1.00 0.00 H new ATOM 156 N LEU A 12 -3.379 12.158 0.045 1.00 0.00 N ATOM 157 CA LEU A 12 -2.010 12.051 -0.467 1.00 0.00 C ATOM 158 C LEU A 12 -1.408 13.446 -0.690 1.00 0.00 C ATOM 159 O LEU A 12 -0.363 13.770 -0.126 1.00 0.00 O ATOM 160 CB LEU A 12 -2.056 11.182 -1.745 1.00 0.00 C ATOM 161 CG LEU A 12 -0.731 10.708 -2.370 1.00 0.00 C ATOM 162 CD1 LEU A 12 0.101 11.826 -2.999 1.00 0.00 C ATOM 163 CD2 LEU A 12 0.119 9.935 -1.363 1.00 0.00 C ATOM 0 H LEU A 12 -4.043 11.622 -0.513 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.349 11.567 0.252 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.650 10.296 -1.520 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.597 11.744 -2.506 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.029 10.045 -3.182 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.017 11.407 -3.416 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.473 12.305 -3.792 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.353 12.564 -2.238 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.046 9.616 -1.839 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.349 10.577 -0.513 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.432 9.060 -1.018 1.00 0.00 H new ATOM 175 N ILE A 13 -2.102 14.286 -1.464 1.00 0.00 N ATOM 176 CA ILE A 13 -1.728 15.678 -1.757 1.00 0.00 C ATOM 177 C ILE A 13 -1.592 16.513 -0.473 1.00 0.00 C ATOM 178 O ILE A 13 -0.572 17.172 -0.286 1.00 0.00 O ATOM 179 CB ILE A 13 -2.736 16.276 -2.764 1.00 0.00 C ATOM 180 CG1 ILE A 13 -2.517 15.603 -4.141 1.00 0.00 C ATOM 181 CG2 ILE A 13 -2.634 17.810 -2.886 1.00 0.00 C ATOM 182 CD1 ILE A 13 -3.691 15.808 -5.098 1.00 0.00 C ATOM 0 H ILE A 13 -2.971 14.008 -1.921 1.00 0.00 H new ATOM 0 HA ILE A 13 -0.741 15.698 -2.219 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.741 16.074 -2.394 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.611 16.003 -4.595 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -2.356 14.535 -3.996 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.368 18.167 -3.608 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -2.829 18.266 -1.915 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.633 18.083 -3.221 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -3.478 15.313 -6.046 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -4.595 15.383 -4.661 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -3.838 16.874 -5.270 1.00 0.00 H new ATOM 194 N ALA A 14 -2.583 16.479 0.424 1.00 0.00 N ATOM 195 CA ALA A 14 -2.571 17.232 1.682 1.00 0.00 C ATOM 196 C ALA A 14 -1.383 16.870 2.599 1.00 0.00 C ATOM 197 O ALA A 14 -0.697 17.761 3.102 1.00 0.00 O ATOM 198 CB ALA A 14 -3.907 17.024 2.401 1.00 0.00 C ATOM 0 H ALA A 14 -3.427 15.920 0.295 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.439 18.286 1.437 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -3.906 17.581 3.338 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -4.720 17.380 1.768 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.047 15.963 2.609 1.00 0.00 H new ATOM 204 N LEU A 15 -1.116 15.576 2.810 1.00 0.00 N ATOM 205 CA LEU A 15 0.038 15.099 3.584 1.00 0.00 C ATOM 206 C LEU A 15 1.365 15.494 2.918 1.00 0.00 C ATOM 207 O LEU A 15 2.255 16.026 3.584 1.00 0.00 O ATOM 208 CB LEU A 15 -0.057 13.571 3.777 1.00 0.00 C ATOM 209 CG LEU A 15 -0.795 13.092 5.043 1.00 0.00 C ATOM 210 CD1 LEU A 15 -0.003 13.401 6.315 1.00 0.00 C ATOM 211 CD2 LEU A 15 -2.203 13.669 5.212 1.00 0.00 C ATOM 0 H LEU A 15 -1.700 14.823 2.445 1.00 0.00 H new ATOM 0 HA LEU A 15 0.018 15.578 4.563 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.557 13.146 2.907 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.954 13.164 3.794 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.888 12.016 4.897 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.558 13.047 7.184 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.964 12.899 6.273 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.150 14.477 6.396 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.648 13.279 6.127 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.146 14.756 5.270 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.818 13.383 4.359 1.00 0.00 H new ATOM 223 N CYS A 16 1.490 15.266 1.608 1.00 0.00 N ATOM 224 CA CYS A 16 2.646 15.665 0.800 1.00 0.00 C ATOM 225 C CYS A 16 2.955 17.171 0.930 1.00 0.00 C ATOM 226 O CYS A 16 4.091 17.550 1.228 1.00 0.00 O ATOM 227 CB CYS A 16 2.378 15.236 -0.648 1.00 0.00 C ATOM 228 SG CYS A 16 3.871 15.443 -1.649 1.00 0.00 S ATOM 0 H CYS A 16 0.772 14.786 1.066 1.00 0.00 H new ATOM 0 HA CYS A 16 3.544 15.166 1.163 1.00 0.00 H new ATOM 0 HB2 CYS A 16 2.057 14.195 -0.673 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.566 15.830 -1.066 1.00 0.00 H new ATOM 0 HG CYS A 16 3.628 15.074 -2.872 1.00 0.00 H new ATOM 234 N GLU A 17 1.934 18.025 0.787 1.00 0.00 N ATOM 235 CA GLU A 17 1.991 19.467 1.051 1.00 0.00 C ATOM 236 C GLU A 17 2.512 19.771 2.464 1.00 0.00 C ATOM 237 O GLU A 17 3.539 20.435 2.598 1.00 0.00 O ATOM 238 CB GLU A 17 0.615 20.109 0.797 1.00 0.00 C ATOM 239 CG GLU A 17 0.663 21.637 0.932 1.00 0.00 C ATOM 240 CD GLU A 17 -0.676 22.320 0.583 1.00 0.00 C ATOM 241 OE1 GLU A 17 -1.753 21.834 1.012 1.00 0.00 O ATOM 242 OE2 GLU A 17 -0.654 23.390 -0.072 1.00 0.00 O ATOM 0 H GLU A 17 1.013 17.719 0.473 1.00 0.00 H new ATOM 0 HA GLU A 17 2.706 19.911 0.358 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.269 19.843 -0.202 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.110 19.705 1.503 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.940 21.897 1.954 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.444 22.029 0.280 1.00 0.00 H new ATOM 249 N GLU A 18 1.832 19.282 3.508 1.00 0.00 N ATOM 250 CA GLU A 18 2.163 19.530 4.919 1.00 0.00 C ATOM 251 C GLU A 18 3.607 19.150 5.278 1.00 0.00 C ATOM 252 O GLU A 18 4.319 19.954 5.883 1.00 0.00 O ATOM 253 CB GLU A 18 1.164 18.802 5.838 1.00 0.00 C ATOM 254 CG GLU A 18 -0.214 19.483 5.912 1.00 0.00 C ATOM 255 CD GLU A 18 -0.265 20.609 6.966 1.00 0.00 C ATOM 256 OE1 GLU A 18 0.634 21.490 6.979 1.00 0.00 O ATOM 257 OE2 GLU A 18 -1.209 20.628 7.793 1.00 0.00 O ATOM 0 H GLU A 18 1.013 18.686 3.393 1.00 0.00 H new ATOM 0 HA GLU A 18 2.082 20.606 5.075 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.036 17.779 5.484 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.584 18.741 6.842 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.465 19.894 4.934 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.972 18.736 6.147 1.00 0.00 H new ATOM 264 N HIS A 19 4.077 17.964 4.880 1.00 0.00 N ATOM 265 CA HIS A 19 5.473 17.558 5.081 1.00 0.00 C ATOM 266 C HIS A 19 6.458 18.500 4.375 1.00 0.00 C ATOM 267 O HIS A 19 7.472 18.878 4.962 1.00 0.00 O ATOM 268 CB HIS A 19 5.683 16.120 4.593 1.00 0.00 C ATOM 269 CG HIS A 19 5.024 15.068 5.453 1.00 0.00 C ATOM 270 ND1 HIS A 19 5.226 14.874 6.803 1.00 0.00 N ATOM 271 CD2 HIS A 19 4.170 14.091 5.021 1.00 0.00 C ATOM 272 CE1 HIS A 19 4.498 13.808 7.181 1.00 0.00 C ATOM 273 NE2 HIS A 19 3.840 13.296 6.127 1.00 0.00 N ATOM 0 H HIS A 19 3.505 17.261 4.412 1.00 0.00 H new ATOM 0 HA HIS A 19 5.675 17.614 6.151 1.00 0.00 H new ATOM 0 HB2 HIS A 19 5.299 16.034 3.577 1.00 0.00 H new ATOM 0 HB3 HIS A 19 6.753 15.917 4.548 1.00 0.00 H new ATOM 0 HD2 HIS A 19 3.814 13.956 4.010 1.00 0.00 H new ATOM 0 HE1 HIS A 19 4.449 13.419 8.187 1.00 0.00 H new ATOM 0 HE2 HIS A 19 3.220 12.486 6.131 1.00 0.00 H new ATOM 281 N ALA A 20 6.171 18.911 3.136 1.00 0.00 N ATOM 282 CA ALA A 20 7.050 19.796 2.374 1.00 0.00 C ATOM 283 C ALA A 20 7.176 21.188 3.010 1.00 0.00 C ATOM 284 O ALA A 20 8.297 21.656 3.206 1.00 0.00 O ATOM 285 CB ALA A 20 6.562 19.873 0.930 1.00 0.00 C ATOM 0 H ALA A 20 5.324 18.639 2.636 1.00 0.00 H new ATOM 0 HA ALA A 20 8.055 19.375 2.387 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.216 20.533 0.360 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.576 18.877 0.488 1.00 0.00 H new ATOM 0 HB3 ALA A 20 5.545 20.265 0.910 1.00 0.00 H new ATOM 291 N LYS A 21 6.069 21.848 3.379 1.00 0.00 N ATOM 292 CA LYS A 21 6.123 23.147 4.087 1.00 0.00 C ATOM 293 C LYS A 21 6.711 23.054 5.500 1.00 0.00 C ATOM 294 O LYS A 21 7.285 24.034 5.967 1.00 0.00 O ATOM 295 CB LYS A 21 4.747 23.840 4.108 1.00 0.00 C ATOM 296 CG LYS A 21 3.678 23.030 4.853 1.00 0.00 C ATOM 297 CD LYS A 21 2.351 23.791 5.006 1.00 0.00 C ATOM 298 CE LYS A 21 2.250 24.616 6.296 1.00 0.00 C ATOM 299 NZ LYS A 21 2.155 23.742 7.496 1.00 0.00 N ATOM 0 H LYS A 21 5.124 21.509 3.202 1.00 0.00 H new ATOM 0 HA LYS A 21 6.812 23.764 3.510 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.846 24.818 4.578 1.00 0.00 H new ATOM 0 HB3 LYS A 21 4.417 24.011 3.083 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.497 22.098 4.318 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.054 22.763 5.841 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.224 24.455 4.151 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.529 23.076 4.979 1.00 0.00 H new ATOM 0 HE2 LYS A 21 3.122 25.263 6.384 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.375 25.265 6.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 1.837 24.304 8.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 1.473 22.977 7.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 3.088 23.332 7.702 1.00 0.00 H new ATOM 313 N LYS A 22 6.627 21.895 6.169 1.00 0.00 N ATOM 314 CA LYS A 22 7.263 21.641 7.478 1.00 0.00 C ATOM 315 C LYS A 22 8.784 21.536 7.331 1.00 0.00 C ATOM 316 O LYS A 22 9.536 22.130 8.102 1.00 0.00 O ATOM 317 CB LYS A 22 6.658 20.364 8.098 1.00 0.00 C ATOM 318 CG LYS A 22 7.183 20.016 9.504 1.00 0.00 C ATOM 319 CD LYS A 22 6.830 21.049 10.589 1.00 0.00 C ATOM 320 CE LYS A 22 5.324 21.181 10.877 1.00 0.00 C ATOM 321 NZ LYS A 22 4.761 19.967 11.527 1.00 0.00 N ATOM 0 H LYS A 22 6.108 21.092 5.813 1.00 0.00 H new ATOM 0 HA LYS A 22 7.066 22.478 8.148 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.575 20.480 8.148 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.858 19.524 7.433 1.00 0.00 H new ATOM 0 HG2 LYS A 22 6.782 19.046 9.799 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.267 19.912 9.458 1.00 0.00 H new ATOM 0 HD2 LYS A 22 7.341 20.777 11.512 1.00 0.00 H new ATOM 0 HD3 LYS A 22 7.216 22.022 10.286 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.154 22.045 11.519 1.00 0.00 H new ATOM 0 HE3 LYS A 22 4.794 21.369 9.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 3.745 20.105 11.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 4.897 19.145 10.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 5.247 19.801 12.431 1.00 0.00 H new ATOM 335 N ASN A 23 9.221 20.832 6.289 1.00 0.00 N ATOM 336 CA ASN A 23 10.624 20.632 5.905 1.00 0.00 C ATOM 337 C ASN A 23 11.226 21.838 5.151 1.00 0.00 C ATOM 338 O ASN A 23 12.419 21.851 4.851 1.00 0.00 O ATOM 339 CB ASN A 23 10.701 19.332 5.079 1.00 0.00 C ATOM 340 CG ASN A 23 12.126 18.847 4.853 1.00 0.00 C ATOM 341 OD1 ASN A 23 12.679 18.922 3.765 1.00 0.00 O ATOM 342 ND2 ASN A 23 12.767 18.319 5.873 1.00 0.00 N ATOM 0 H ASN A 23 8.576 20.360 5.655 1.00 0.00 H new ATOM 0 HA ASN A 23 11.233 20.545 6.805 1.00 0.00 H new ATOM 0 HB2 ASN A 23 10.135 18.552 5.588 1.00 0.00 H new ATOM 0 HB3 ASN A 23 10.222 19.494 4.113 1.00 0.00 H new ATOM 0 HD21 ASN A 23 13.720 17.975 5.754 1.00 0.00 H new ATOM 0 HD22 ASN A 23 12.311 18.254 6.783 1.00 0.00 H new ATOM 349 N GLN A 24 10.412 22.863 4.868 1.00 0.00 N ATOM 350 CA GLN A 24 10.752 24.069 4.101 1.00 0.00 C ATOM 351 C GLN A 24 11.165 23.753 2.643 1.00 0.00 C ATOM 352 O GLN A 24 11.911 24.508 2.013 1.00 0.00 O ATOM 353 CB GLN A 24 11.794 24.926 4.859 1.00 0.00 C ATOM 354 CG GLN A 24 11.594 25.017 6.385 1.00 0.00 C ATOM 355 CD GLN A 24 10.274 25.656 6.806 1.00 0.00 C ATOM 356 OE1 GLN A 24 9.891 26.732 6.365 1.00 0.00 O ATOM 357 NE2 GLN A 24 9.531 25.024 7.690 1.00 0.00 N ATOM 0 H GLN A 24 9.443 22.874 5.186 1.00 0.00 H new ATOM 0 HA GLN A 24 9.847 24.670 4.012 1.00 0.00 H new ATOM 0 HB2 GLN A 24 12.786 24.518 4.664 1.00 0.00 H new ATOM 0 HB3 GLN A 24 11.778 25.935 4.447 1.00 0.00 H new ATOM 0 HG2 GLN A 24 11.650 24.014 6.808 1.00 0.00 H new ATOM 0 HG3 GLN A 24 12.416 25.591 6.814 1.00 0.00 H new ATOM 0 HE21 GLN A 24 9.838 24.127 8.066 1.00 0.00 H new ATOM 0 HE22 GLN A 24 8.649 25.432 7.999 1.00 0.00 H new ATOM 366 N ALA A 25 10.718 22.608 2.111 1.00 0.00 N ATOM 367 CA ALA A 25 11.084 22.096 0.789 1.00 0.00 C ATOM 368 C ALA A 25 10.334 22.806 -0.353 1.00 0.00 C ATOM 369 O ALA A 25 10.933 23.145 -1.373 1.00 0.00 O ATOM 370 CB ALA A 25 10.806 20.587 0.773 1.00 0.00 C ATOM 0 H ALA A 25 10.071 21.995 2.607 1.00 0.00 H new ATOM 0 HA ALA A 25 12.142 22.295 0.615 1.00 0.00 H new ATOM 0 HB1 ALA A 25 11.070 20.179 -0.202 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.402 20.099 1.544 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.748 20.410 0.966 1.00 0.00 H new ATOM 376 N HIS A 26 9.022 23.020 -0.183 1.00 0.00 N ATOM 377 CA HIS A 26 8.079 23.649 -1.129 1.00 0.00 C ATOM 378 C HIS A 26 7.969 23.006 -2.537 1.00 0.00 C ATOM 379 O HIS A 26 7.253 23.526 -3.395 1.00 0.00 O ATOM 380 CB HIS A 26 8.329 25.167 -1.176 1.00 0.00 C ATOM 381 CG HIS A 26 8.325 25.815 0.188 1.00 0.00 C ATOM 382 ND1 HIS A 26 7.221 26.026 0.987 1.00 0.00 N ATOM 383 CD2 HIS A 26 9.424 26.266 0.870 1.00 0.00 C ATOM 384 CE1 HIS A 26 7.644 26.592 2.131 1.00 0.00 C ATOM 385 NE2 HIS A 26 8.980 26.754 2.106 1.00 0.00 N ATOM 0 H HIS A 26 8.555 22.740 0.679 1.00 0.00 H new ATOM 0 HA HIS A 26 7.086 23.451 -0.725 1.00 0.00 H new ATOM 0 HB2 HIS A 26 9.289 25.356 -1.657 1.00 0.00 H new ATOM 0 HB3 HIS A 26 7.564 25.635 -1.795 1.00 0.00 H new ATOM 0 HD2 HIS A 26 10.445 26.249 0.519 1.00 0.00 H new ATOM 0 HE1 HIS A 26 7.003 26.876 2.953 1.00 0.00 H new ATOM 0 HE2 HIS A 26 9.558 27.155 2.845 1.00 0.00 H new ATOM 393 N LYS A 27 8.630 21.864 -2.776 1.00 0.00 N ATOM 394 CA LYS A 27 8.568 20.998 -3.971 1.00 0.00 C ATOM 395 C LYS A 27 9.077 19.587 -3.643 1.00 0.00 C ATOM 396 O LYS A 27 9.618 19.362 -2.558 1.00 0.00 O ATOM 397 CB LYS A 27 9.343 21.638 -5.142 1.00 0.00 C ATOM 398 CG LYS A 27 10.844 21.832 -4.856 1.00 0.00 C ATOM 399 CD LYS A 27 11.509 22.859 -5.784 1.00 0.00 C ATOM 400 CE LYS A 27 12.044 22.296 -7.110 1.00 0.00 C ATOM 401 NZ LYS A 27 10.975 22.019 -8.105 1.00 0.00 N ATOM 0 H LYS A 27 9.277 21.488 -2.083 1.00 0.00 H new ATOM 0 HA LYS A 27 7.529 20.901 -4.284 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.228 21.013 -6.027 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.898 22.605 -5.375 1.00 0.00 H new ATOM 0 HG2 LYS A 27 10.972 22.150 -3.821 1.00 0.00 H new ATOM 0 HG3 LYS A 27 11.354 20.874 -4.960 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.787 23.644 -6.007 1.00 0.00 H new ATOM 0 HD3 LYS A 27 12.334 23.328 -5.248 1.00 0.00 H new ATOM 0 HE2 LYS A 27 12.754 23.004 -7.537 1.00 0.00 H new ATOM 0 HE3 LYS A 27 12.593 21.376 -6.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 11.404 21.855 -9.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 10.442 21.174 -7.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 10.331 22.834 -8.158 1.00 0.00 H new ATOM 415 N ILE A 28 8.895 18.643 -4.565 1.00 0.00 N ATOM 416 CA ILE A 28 9.046 17.196 -4.346 1.00 0.00 C ATOM 417 C ILE A 28 9.959 16.580 -5.425 1.00 0.00 C ATOM 418 O ILE A 28 10.061 17.087 -6.542 1.00 0.00 O ATOM 419 CB ILE A 28 7.626 16.571 -4.357 1.00 0.00 C ATOM 420 CG1 ILE A 28 6.665 17.177 -3.306 1.00 0.00 C ATOM 421 CG2 ILE A 28 7.607 15.042 -4.225 1.00 0.00 C ATOM 422 CD1 ILE A 28 7.050 16.936 -1.840 1.00 0.00 C ATOM 0 H ILE A 28 8.628 18.868 -5.523 1.00 0.00 H new ATOM 0 HA ILE A 28 9.523 16.993 -3.387 1.00 0.00 H new ATOM 0 HB ILE A 28 7.263 16.831 -5.351 1.00 0.00 H new ATOM 0 HG12 ILE A 28 6.602 18.252 -3.475 1.00 0.00 H new ATOM 0 HG13 ILE A 28 5.668 16.769 -3.473 1.00 0.00 H new ATOM 0 HG21 ILE A 28 6.576 14.688 -4.242 1.00 0.00 H new ATOM 0 HG22 ILE A 28 8.156 14.598 -5.055 1.00 0.00 H new ATOM 0 HG23 ILE A 28 8.075 14.752 -3.284 1.00 0.00 H new ATOM 0 HD11 ILE A 28 6.311 17.402 -1.188 1.00 0.00 H new ATOM 0 HD12 ILE A 28 7.082 15.864 -1.644 1.00 0.00 H new ATOM 0 HD13 ILE A 28 8.031 17.370 -1.645 1.00 0.00 H new ATOM 434 N GLU A 29 10.619 15.464 -5.107 1.00 0.00 N ATOM 435 CA GLU A 29 11.227 14.558 -6.091 1.00 0.00 C ATOM 436 C GLU A 29 10.168 13.530 -6.527 1.00 0.00 C ATOM 437 O GLU A 29 9.663 13.594 -7.652 1.00 0.00 O ATOM 438 CB GLU A 29 12.500 13.920 -5.499 1.00 0.00 C ATOM 439 CG GLU A 29 13.470 13.317 -6.529 1.00 0.00 C ATOM 440 CD GLU A 29 13.117 11.889 -6.978 1.00 0.00 C ATOM 441 OE1 GLU A 29 13.602 10.906 -6.370 1.00 0.00 O ATOM 442 OE2 GLU A 29 12.393 11.718 -7.983 1.00 0.00 O ATOM 0 H GLU A 29 10.750 15.157 -4.143 1.00 0.00 H new ATOM 0 HA GLU A 29 11.547 15.097 -6.983 1.00 0.00 H new ATOM 0 HB2 GLU A 29 13.032 14.677 -4.922 1.00 0.00 H new ATOM 0 HB3 GLU A 29 12.204 13.137 -4.801 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.497 13.964 -7.406 1.00 0.00 H new ATOM 0 HG3 GLU A 29 14.474 13.313 -6.105 1.00 0.00 H new ATOM 449 N ARG A 30 9.755 12.650 -5.600 1.00 0.00 N ATOM 450 CA ARG A 30 8.725 11.615 -5.795 1.00 0.00 C ATOM 451 C ARG A 30 7.867 11.349 -4.552 1.00 0.00 C ATOM 452 O ARG A 30 8.181 11.782 -3.446 1.00 0.00 O ATOM 453 CB ARG A 30 9.405 10.311 -6.258 1.00 0.00 C ATOM 454 CG ARG A 30 9.338 10.153 -7.782 1.00 0.00 C ATOM 455 CD ARG A 30 10.075 8.896 -8.233 1.00 0.00 C ATOM 456 NE ARG A 30 11.516 9.011 -7.985 1.00 0.00 N ATOM 457 CZ ARG A 30 12.382 8.034 -7.830 1.00 0.00 C ATOM 458 NH1 ARG A 30 12.077 6.782 -8.038 1.00 0.00 N ATOM 459 NH2 ARG A 30 13.588 8.326 -7.444 1.00 0.00 N ATOM 0 H ARG A 30 10.144 12.639 -4.657 1.00 0.00 H new ATOM 0 HA ARG A 30 8.039 11.989 -6.555 1.00 0.00 H new ATOM 0 HB2 ARG A 30 10.446 10.308 -5.936 1.00 0.00 H new ATOM 0 HB3 ARG A 30 8.922 9.458 -5.781 1.00 0.00 H new ATOM 0 HG2 ARG A 30 8.297 10.103 -8.101 1.00 0.00 H new ATOM 0 HG3 ARG A 30 9.776 11.028 -8.262 1.00 0.00 H new ATOM 0 HD2 ARG A 30 9.680 8.029 -7.703 1.00 0.00 H new ATOM 0 HD3 ARG A 30 9.898 8.728 -9.295 1.00 0.00 H new ATOM 0 HE ARG A 30 11.889 9.958 -7.926 1.00 0.00 H new ATOM 0 HH11 ARG A 30 11.134 6.529 -8.333 1.00 0.00 H new ATOM 0 HH12 ARG A 30 12.782 6.057 -7.905 1.00 0.00 H new ATOM 0 HH21 ARG A 30 13.846 9.297 -7.268 1.00 0.00 H new ATOM 0 HH22 ARG A 30 14.277 7.584 -7.317 1.00 0.00 H new ATOM 473 N VAL A 31 6.799 10.581 -4.751 1.00 0.00 N ATOM 474 CA VAL A 31 5.938 9.960 -3.737 1.00 0.00 C ATOM 475 C VAL A 31 5.729 8.488 -4.105 1.00 0.00 C ATOM 476 O VAL A 31 5.331 8.183 -5.228 1.00 0.00 O ATOM 477 CB VAL A 31 4.589 10.693 -3.639 1.00 0.00 C ATOM 478 CG1 VAL A 31 3.695 10.051 -2.574 1.00 0.00 C ATOM 479 CG2 VAL A 31 4.764 12.183 -3.322 1.00 0.00 C ATOM 0 H VAL A 31 6.486 10.357 -5.695 1.00 0.00 H new ATOM 0 HA VAL A 31 6.418 10.029 -2.761 1.00 0.00 H new ATOM 0 HB VAL A 31 4.114 10.604 -4.616 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.747 10.587 -2.523 1.00 0.00 H new ATOM 0 HG12 VAL A 31 3.509 9.009 -2.835 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.191 10.100 -1.605 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.786 12.660 -3.262 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.280 12.294 -2.369 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.351 12.656 -4.109 1.00 0.00 H new ATOM 489 N VAL A 32 6.016 7.571 -3.182 1.00 0.00 N ATOM 490 CA VAL A 32 5.920 6.114 -3.374 1.00 0.00 C ATOM 491 C VAL A 32 4.622 5.590 -2.758 1.00 0.00 C ATOM 492 O VAL A 32 4.347 5.859 -1.585 1.00 0.00 O ATOM 493 CB VAL A 32 7.135 5.394 -2.752 1.00 0.00 C ATOM 494 CG1 VAL A 32 7.136 3.908 -3.120 1.00 0.00 C ATOM 495 CG2 VAL A 32 8.466 5.970 -3.248 1.00 0.00 C ATOM 0 H VAL A 32 6.333 7.825 -2.246 1.00 0.00 H new ATOM 0 HA VAL A 32 5.916 5.908 -4.444 1.00 0.00 H new ATOM 0 HB VAL A 32 7.044 5.537 -1.675 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.002 3.422 -2.670 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.224 3.441 -2.749 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.183 3.802 -4.204 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.291 5.431 -2.783 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.528 5.863 -4.331 1.00 0.00 H new ATOM 0 HG23 VAL A 32 8.527 7.026 -2.983 1.00 0.00 H new ATOM 505 N VAL A 33 3.824 4.838 -3.523 1.00 0.00 N ATOM 506 CA VAL A 33 2.505 4.324 -3.099 1.00 0.00 C ATOM 507 C VAL A 33 2.361 2.829 -3.394 1.00 0.00 C ATOM 508 O VAL A 33 2.504 2.391 -4.535 1.00 0.00 O ATOM 509 CB VAL A 33 1.351 5.139 -3.720 1.00 0.00 C ATOM 510 CG1 VAL A 33 -0.004 4.681 -3.164 1.00 0.00 C ATOM 511 CG2 VAL A 33 1.501 6.638 -3.409 1.00 0.00 C ATOM 0 H VAL A 33 4.075 4.561 -4.472 1.00 0.00 H new ATOM 0 HA VAL A 33 2.443 4.448 -2.018 1.00 0.00 H new ATOM 0 HB VAL A 33 1.393 4.974 -4.797 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.801 5.270 -3.617 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.155 3.627 -3.396 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.019 4.820 -2.083 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.674 7.187 -3.859 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.492 6.788 -2.329 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.444 7.002 -3.818 1.00 0.00 H new ATOM 521 N GLY A 34 2.085 2.043 -2.352 1.00 0.00 N ATOM 522 CA GLY A 34 1.969 0.586 -2.390 1.00 0.00 C ATOM 523 C GLY A 34 0.541 0.101 -2.655 1.00 0.00 C ATOM 524 O GLY A 34 -0.425 0.621 -2.090 1.00 0.00 O ATOM 0 H GLY A 34 1.930 2.422 -1.418 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.628 0.196 -3.165 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.315 0.176 -1.441 1.00 0.00 H new ATOM 528 N ILE A 35 0.412 -0.908 -3.518 1.00 0.00 N ATOM 529 CA ILE A 35 -0.840 -1.541 -3.958 1.00 0.00 C ATOM 530 C ILE A 35 -0.658 -3.064 -3.931 1.00 0.00 C ATOM 531 O ILE A 35 0.333 -3.575 -4.450 1.00 0.00 O ATOM 532 CB ILE A 35 -1.232 -1.052 -5.377 1.00 0.00 C ATOM 533 CG1 ILE A 35 -1.309 0.494 -5.430 1.00 0.00 C ATOM 534 CG2 ILE A 35 -2.565 -1.696 -5.809 1.00 0.00 C ATOM 535 CD1 ILE A 35 -1.850 1.071 -6.740 1.00 0.00 C ATOM 0 H ILE A 35 1.228 -1.334 -3.958 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.650 -1.262 -3.283 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.458 -1.362 -6.079 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.940 0.839 -4.611 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.312 0.898 -5.257 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.832 -1.346 -6.806 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.458 -2.781 -5.821 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.349 -1.417 -5.105 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.865 2.159 -6.679 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.209 0.763 -7.566 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.862 0.703 -6.909 1.00 0.00 H new ATOM 547 N GLY A 36 -1.603 -3.796 -3.336 1.00 0.00 N ATOM 548 CA GLY A 36 -1.581 -5.268 -3.276 1.00 0.00 C ATOM 549 C GLY A 36 -1.598 -5.928 -4.665 1.00 0.00 C ATOM 550 O GLY A 36 -2.452 -5.618 -5.496 1.00 0.00 O ATOM 0 H GLY A 36 -2.415 -3.384 -2.876 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -0.690 -5.591 -2.738 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -2.442 -5.615 -2.705 1.00 0.00 H new ATOM 554 N GLU A 37 -0.672 -6.854 -4.933 1.00 0.00 N ATOM 555 CA GLU A 37 -0.413 -7.407 -6.275 1.00 0.00 C ATOM 556 C GLU A 37 -1.551 -8.292 -6.812 1.00 0.00 C ATOM 557 O GLU A 37 -1.654 -8.503 -8.022 1.00 0.00 O ATOM 558 CB GLU A 37 0.930 -8.166 -6.311 1.00 0.00 C ATOM 559 CG GLU A 37 0.985 -9.415 -5.412 1.00 0.00 C ATOM 560 CD GLU A 37 2.303 -10.217 -5.523 1.00 0.00 C ATOM 561 OE1 GLU A 37 3.102 -10.011 -6.468 1.00 0.00 O ATOM 562 OE2 GLU A 37 2.527 -11.099 -4.659 1.00 0.00 O ATOM 0 H GLU A 37 -0.068 -7.250 -4.213 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.357 -6.547 -6.943 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.136 -8.465 -7.339 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.726 -7.484 -6.012 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.845 -9.109 -4.375 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.152 -10.070 -5.667 1.00 0.00 H new ATOM 569 N ARG A 38 -2.427 -8.782 -5.921 1.00 0.00 N ATOM 570 CA ARG A 38 -3.639 -9.547 -6.258 1.00 0.00 C ATOM 571 C ARG A 38 -4.938 -8.737 -6.145 1.00 0.00 C ATOM 572 O ARG A 38 -6.004 -9.233 -6.509 1.00 0.00 O ATOM 573 CB ARG A 38 -3.701 -10.832 -5.412 1.00 0.00 C ATOM 574 CG ARG A 38 -2.534 -11.812 -5.634 1.00 0.00 C ATOM 575 CD ARG A 38 -2.304 -12.215 -7.097 1.00 0.00 C ATOM 576 NE ARG A 38 -3.475 -12.908 -7.671 1.00 0.00 N ATOM 577 CZ ARG A 38 -3.765 -13.072 -8.949 1.00 0.00 C ATOM 578 NH1 ARG A 38 -3.002 -12.609 -9.900 1.00 0.00 N ATOM 579 NH2 ARG A 38 -4.842 -13.713 -9.303 1.00 0.00 N ATOM 0 H ARG A 38 -2.308 -8.653 -4.916 1.00 0.00 H new ATOM 0 HA ARG A 38 -3.561 -9.810 -7.313 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -3.728 -10.555 -4.358 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -4.636 -11.348 -5.630 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -1.620 -11.361 -5.248 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -2.717 -12.713 -5.048 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -2.084 -11.326 -7.688 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -1.431 -12.865 -7.161 1.00 0.00 H new ATOM 0 HE ARG A 38 -4.136 -13.306 -7.004 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -2.149 -12.101 -9.667 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -3.258 -12.755 -10.876 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -5.467 -14.092 -8.592 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -5.060 -13.836 -10.292 1.00 0.00 H new ATOM 593 N SER A 39 -4.857 -7.492 -5.673 1.00 0.00 N ATOM 594 CA SER A 39 -6.003 -6.584 -5.487 1.00 0.00 C ATOM 595 C SER A 39 -6.475 -5.925 -6.795 1.00 0.00 C ATOM 596 O SER A 39 -7.587 -5.398 -6.848 1.00 0.00 O ATOM 597 CB SER A 39 -5.659 -5.518 -4.437 1.00 0.00 C ATOM 598 OG SER A 39 -5.214 -6.162 -3.252 1.00 0.00 O ATOM 0 H SER A 39 -3.969 -7.070 -5.400 1.00 0.00 H new ATOM 0 HA SER A 39 -6.837 -7.192 -5.136 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.884 -4.852 -4.817 1.00 0.00 H new ATOM 0 HB3 SER A 39 -6.533 -4.902 -4.225 1.00 0.00 H new ATOM 0 HG SER A 39 -4.986 -5.487 -2.579 1.00 0.00 H new ATOM 604 N ALA A 40 -5.661 -5.994 -7.859 1.00 0.00 N ATOM 605 CA ALA A 40 -5.977 -5.676 -9.261 1.00 0.00 C ATOM 606 C ALA A 40 -6.531 -4.256 -9.552 1.00 0.00 C ATOM 607 O ALA A 40 -7.101 -4.022 -10.622 1.00 0.00 O ATOM 608 CB ALA A 40 -6.859 -6.807 -9.819 1.00 0.00 C ATOM 0 H ALA A 40 -4.692 -6.296 -7.755 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.028 -5.628 -9.795 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.108 -6.595 -10.859 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.319 -7.752 -9.760 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.776 -6.876 -9.233 1.00 0.00 H new ATOM 614 N MET A 41 -6.377 -3.303 -8.626 1.00 0.00 N ATOM 615 CA MET A 41 -6.826 -1.913 -8.789 1.00 0.00 C ATOM 616 C MET A 41 -6.036 -1.188 -9.892 1.00 0.00 C ATOM 617 O MET A 41 -4.811 -1.302 -9.988 1.00 0.00 O ATOM 618 CB MET A 41 -6.735 -1.163 -7.451 1.00 0.00 C ATOM 619 CG MET A 41 -7.763 -1.714 -6.450 1.00 0.00 C ATOM 620 SD MET A 41 -7.865 -0.854 -4.855 1.00 0.00 S ATOM 621 CE MET A 41 -6.254 -1.292 -4.151 1.00 0.00 C ATOM 0 H MET A 41 -5.929 -3.478 -7.726 1.00 0.00 H new ATOM 0 HA MET A 41 -7.870 -1.929 -9.103 1.00 0.00 H new ATOM 0 HB2 MET A 41 -5.730 -1.262 -7.040 1.00 0.00 H new ATOM 0 HB3 MET A 41 -6.910 -0.099 -7.612 1.00 0.00 H new ATOM 0 HG2 MET A 41 -8.747 -1.686 -6.918 1.00 0.00 H new ATOM 0 HG3 MET A 41 -7.530 -2.762 -6.261 1.00 0.00 H new ATOM 0 HE1 MET A 41 -6.287 -1.177 -3.068 1.00 0.00 H new ATOM 0 HE2 MET A 41 -6.018 -2.327 -4.399 1.00 0.00 H new ATOM 0 HE3 MET A 41 -5.487 -0.636 -4.562 1.00 0.00 H new ATOM 631 N ASP A 42 -6.747 -0.441 -10.738 1.00 0.00 N ATOM 632 CA ASP A 42 -6.207 0.260 -11.910 1.00 0.00 C ATOM 633 C ASP A 42 -5.365 1.493 -11.522 1.00 0.00 C ATOM 634 O ASP A 42 -5.847 2.628 -11.477 1.00 0.00 O ATOM 635 CB ASP A 42 -7.350 0.627 -12.871 1.00 0.00 C ATOM 636 CG ASP A 42 -7.988 -0.614 -13.514 1.00 0.00 C ATOM 637 OD1 ASP A 42 -7.373 -1.197 -14.440 1.00 0.00 O ATOM 638 OD2 ASP A 42 -9.111 -1.001 -13.110 1.00 0.00 O ATOM 0 H ASP A 42 -7.751 -0.301 -10.624 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.524 -0.417 -12.423 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -8.113 1.186 -12.329 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -6.968 1.284 -13.653 1.00 0.00 H new ATOM 643 N LYS A 43 -4.069 1.277 -11.265 1.00 0.00 N ATOM 644 CA LYS A 43 -3.085 2.312 -10.893 1.00 0.00 C ATOM 645 C LYS A 43 -2.960 3.481 -11.879 1.00 0.00 C ATOM 646 O LYS A 43 -2.630 4.596 -11.477 1.00 0.00 O ATOM 647 CB LYS A 43 -1.712 1.674 -10.647 1.00 0.00 C ATOM 648 CG LYS A 43 -1.110 0.860 -11.811 1.00 0.00 C ATOM 649 CD LYS A 43 -1.242 -0.663 -11.647 1.00 0.00 C ATOM 650 CE LYS A 43 -0.361 -1.182 -10.501 1.00 0.00 C ATOM 651 NZ LYS A 43 -0.433 -2.661 -10.384 1.00 0.00 N ATOM 0 H LYS A 43 -3.658 0.345 -11.311 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.472 2.756 -9.976 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.010 2.466 -10.386 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.791 1.020 -9.779 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.598 1.158 -12.739 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.055 1.114 -11.910 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.283 -0.921 -11.453 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.960 -1.156 -12.577 1.00 0.00 H new ATOM 0 HE2 LYS A 43 0.672 -0.880 -10.670 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.677 -0.726 -9.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 0.338 -2.999 -9.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.348 -2.932 -9.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.340 -3.089 -11.327 1.00 0.00 H new ATOM 665 N SER A 44 -3.274 3.241 -13.152 1.00 0.00 N ATOM 666 CA SER A 44 -3.361 4.261 -14.205 1.00 0.00 C ATOM 667 C SER A 44 -4.377 5.360 -13.861 1.00 0.00 C ATOM 668 O SER A 44 -4.098 6.545 -14.060 1.00 0.00 O ATOM 669 CB SER A 44 -3.718 3.590 -15.536 1.00 0.00 C ATOM 670 OG SER A 44 -3.655 4.520 -16.603 1.00 0.00 O ATOM 0 H SER A 44 -3.482 2.302 -13.493 1.00 0.00 H new ATOM 0 HA SER A 44 -2.389 4.746 -14.290 1.00 0.00 H new ATOM 0 HB2 SER A 44 -3.033 2.764 -15.727 1.00 0.00 H new ATOM 0 HB3 SER A 44 -4.720 3.165 -15.477 1.00 0.00 H new ATOM 0 HG SER A 44 -3.885 4.070 -17.443 1.00 0.00 H new ATOM 676 N LEU A 45 -5.520 4.997 -13.257 1.00 0.00 N ATOM 677 CA LEU A 45 -6.483 5.978 -12.734 1.00 0.00 C ATOM 678 C LEU A 45 -5.875 6.728 -11.557 1.00 0.00 C ATOM 679 O LEU A 45 -6.026 7.944 -11.467 1.00 0.00 O ATOM 680 CB LEU A 45 -7.802 5.346 -12.247 1.00 0.00 C ATOM 681 CG LEU A 45 -8.377 4.251 -13.140 1.00 0.00 C ATOM 682 CD1 LEU A 45 -9.686 3.720 -12.558 1.00 0.00 C ATOM 683 CD2 LEU A 45 -8.631 4.704 -14.580 1.00 0.00 C ATOM 0 H LEU A 45 -5.800 4.026 -13.119 1.00 0.00 H new ATOM 0 HA LEU A 45 -6.709 6.642 -13.568 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -7.640 4.931 -11.252 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -8.547 6.136 -12.145 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.619 3.469 -13.170 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -10.083 2.940 -13.207 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -9.502 3.308 -11.566 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -10.408 4.533 -12.485 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -9.039 3.874 -15.156 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -9.341 5.531 -14.581 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -7.693 5.031 -15.029 1.00 0.00 H new ATOM 695 N PHE A 46 -5.208 6.004 -10.649 1.00 0.00 N ATOM 696 CA PHE A 46 -4.762 6.577 -9.387 1.00 0.00 C ATOM 697 C PHE A 46 -3.803 7.756 -9.597 1.00 0.00 C ATOM 698 O PHE A 46 -4.036 8.858 -9.094 1.00 0.00 O ATOM 699 CB PHE A 46 -4.110 5.537 -8.464 1.00 0.00 C ATOM 700 CG PHE A 46 -3.625 6.162 -7.165 1.00 0.00 C ATOM 701 CD1 PHE A 46 -4.561 6.792 -6.320 1.00 0.00 C ATOM 702 CD2 PHE A 46 -2.253 6.200 -6.831 1.00 0.00 C ATOM 703 CE1 PHE A 46 -4.143 7.437 -5.144 1.00 0.00 C ATOM 704 CE2 PHE A 46 -1.850 6.807 -5.631 1.00 0.00 C ATOM 705 CZ PHE A 46 -2.785 7.432 -4.789 1.00 0.00 C ATOM 0 H PHE A 46 -4.969 5.020 -10.771 1.00 0.00 H new ATOM 0 HA PHE A 46 -5.664 6.944 -8.898 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -4.828 4.747 -8.242 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -3.270 5.070 -8.978 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.609 6.779 -6.579 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.519 5.765 -7.494 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.865 7.936 -4.514 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.807 6.793 -5.351 1.00 0.00 H new ATOM 0 HZ PHE A 46 -2.461 7.906 -3.874 1.00 0.00 H new ATOM 715 N VAL A 47 -2.736 7.539 -10.376 1.00 0.00 N ATOM 716 CA VAL A 47 -1.786 8.612 -10.710 1.00 0.00 C ATOM 717 C VAL A 47 -2.443 9.743 -11.473 1.00 0.00 C ATOM 718 O VAL A 47 -2.210 10.908 -11.165 1.00 0.00 O ATOM 719 CB VAL A 47 -0.569 8.080 -11.466 1.00 0.00 C ATOM 720 CG1 VAL A 47 -0.799 7.493 -12.857 1.00 0.00 C ATOM 721 CG2 VAL A 47 0.535 9.134 -11.569 1.00 0.00 C ATOM 0 H VAL A 47 -2.508 6.634 -10.787 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.438 9.019 -9.761 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.278 7.236 -10.841 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.151 7.156 -13.272 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.484 6.648 -12.787 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.229 8.255 -13.507 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.384 8.720 -12.113 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.156 10.008 -12.099 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.853 9.427 -10.568 1.00 0.00 H new ATOM 731 N SER A 48 -3.310 9.410 -12.425 1.00 0.00 N ATOM 732 CA SER A 48 -4.025 10.414 -13.205 1.00 0.00 C ATOM 733 C SER A 48 -4.941 11.282 -12.326 1.00 0.00 C ATOM 734 O SER A 48 -5.072 12.487 -12.551 1.00 0.00 O ATOM 735 CB SER A 48 -4.799 9.720 -14.327 1.00 0.00 C ATOM 736 OG SER A 48 -5.350 10.668 -15.225 1.00 0.00 O ATOM 0 H SER A 48 -3.535 8.447 -12.675 1.00 0.00 H new ATOM 0 HA SER A 48 -3.301 11.098 -13.647 1.00 0.00 H new ATOM 0 HB2 SER A 48 -4.136 9.044 -14.867 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.596 9.111 -13.901 1.00 0.00 H new ATOM 0 HG SER A 48 -5.839 10.201 -15.934 1.00 0.00 H new ATOM 742 N ALA A 49 -5.509 10.710 -11.259 1.00 0.00 N ATOM 743 CA ALA A 49 -6.298 11.437 -10.264 1.00 0.00 C ATOM 744 C ALA A 49 -5.416 12.376 -9.425 1.00 0.00 C ATOM 745 O ALA A 49 -5.754 13.551 -9.257 1.00 0.00 O ATOM 746 CB ALA A 49 -7.060 10.446 -9.378 1.00 0.00 C ATOM 0 H ALA A 49 -5.431 9.712 -11.061 1.00 0.00 H new ATOM 0 HA ALA A 49 -7.022 12.063 -10.786 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.645 10.994 -8.639 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.727 9.844 -9.995 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.351 9.794 -8.868 1.00 0.00 H new ATOM 752 N PHE A 50 -4.264 11.884 -8.948 1.00 0.00 N ATOM 753 CA PHE A 50 -3.226 12.704 -8.313 1.00 0.00 C ATOM 754 C PHE A 50 -2.833 13.901 -9.197 1.00 0.00 C ATOM 755 O PHE A 50 -2.931 15.041 -8.747 1.00 0.00 O ATOM 756 CB PHE A 50 -2.034 11.814 -7.911 1.00 0.00 C ATOM 757 CG PHE A 50 -0.670 12.481 -7.966 1.00 0.00 C ATOM 758 CD1 PHE A 50 -0.206 13.272 -6.898 1.00 0.00 C ATOM 759 CD2 PHE A 50 0.135 12.324 -9.110 1.00 0.00 C ATOM 760 CE1 PHE A 50 1.046 13.911 -6.987 1.00 0.00 C ATOM 761 CE2 PHE A 50 1.371 12.979 -9.213 1.00 0.00 C ATOM 762 CZ PHE A 50 1.831 13.768 -8.146 1.00 0.00 C ATOM 0 H PHE A 50 -4.025 10.893 -8.993 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.621 13.144 -7.397 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.200 11.451 -6.897 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -2.019 10.941 -8.564 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.810 13.389 -6.010 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.203 11.692 -9.918 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.404 14.512 -6.164 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.966 12.877 -10.108 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.787 14.265 -8.215 1.00 0.00 H new ATOM 772 N GLU A 51 -2.442 13.684 -10.458 1.00 0.00 N ATOM 773 CA GLU A 51 -2.006 14.785 -11.332 1.00 0.00 C ATOM 774 C GLU A 51 -3.148 15.709 -11.804 1.00 0.00 C ATOM 775 O GLU A 51 -2.902 16.855 -12.179 1.00 0.00 O ATOM 776 CB GLU A 51 -1.140 14.298 -12.503 1.00 0.00 C ATOM 777 CG GLU A 51 -1.813 13.382 -13.520 1.00 0.00 C ATOM 778 CD GLU A 51 -1.088 13.426 -14.875 1.00 0.00 C ATOM 779 OE1 GLU A 51 -0.133 12.639 -15.088 1.00 0.00 O ATOM 780 OE2 GLU A 51 -1.473 14.247 -15.745 1.00 0.00 O ATOM 0 H GLU A 51 -2.418 12.763 -10.896 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.375 15.408 -10.698 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.761 15.172 -13.032 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.277 13.774 -12.093 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.821 12.360 -13.142 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.853 13.682 -13.651 1.00 0.00 H new ATOM 787 N THR A 52 -4.404 15.261 -11.728 1.00 0.00 N ATOM 788 CA THR A 52 -5.595 16.119 -11.858 1.00 0.00 C ATOM 789 C THR A 52 -5.715 17.077 -10.665 1.00 0.00 C ATOM 790 O THR A 52 -5.757 18.295 -10.854 1.00 0.00 O ATOM 791 CB THR A 52 -6.878 15.283 -12.021 1.00 0.00 C ATOM 792 OG1 THR A 52 -6.820 14.531 -13.215 1.00 0.00 O ATOM 793 CG2 THR A 52 -8.132 16.149 -12.129 1.00 0.00 C ATOM 0 H THR A 52 -4.630 14.279 -11.572 1.00 0.00 H new ATOM 0 HA THR A 52 -5.472 16.715 -12.762 1.00 0.00 H new ATOM 0 HB THR A 52 -6.936 14.651 -11.134 1.00 0.00 H new ATOM 0 HG1 THR A 52 -6.217 13.769 -13.092 1.00 0.00 H new ATOM 0 HG21 THR A 52 -9.007 15.509 -12.242 1.00 0.00 H new ATOM 0 HG22 THR A 52 -8.237 16.751 -11.227 1.00 0.00 H new ATOM 0 HG23 THR A 52 -8.048 16.805 -12.995 1.00 0.00 H new ATOM 801 N PHE A 53 -5.763 16.557 -9.432 1.00 0.00 N ATOM 802 CA PHE A 53 -5.955 17.366 -8.218 1.00 0.00 C ATOM 803 C PHE A 53 -4.704 18.131 -7.743 1.00 0.00 C ATOM 804 O PHE A 53 -4.832 18.994 -6.870 1.00 0.00 O ATOM 805 CB PHE A 53 -6.542 16.499 -7.084 1.00 0.00 C ATOM 806 CG PHE A 53 -8.039 16.660 -6.891 1.00 0.00 C ATOM 807 CD1 PHE A 53 -8.560 17.922 -6.539 1.00 0.00 C ATOM 808 CD2 PHE A 53 -8.909 15.561 -7.023 1.00 0.00 C ATOM 809 CE1 PHE A 53 -9.943 18.092 -6.352 1.00 0.00 C ATOM 810 CE2 PHE A 53 -10.293 15.734 -6.837 1.00 0.00 C ATOM 811 CZ PHE A 53 -10.811 16.999 -6.506 1.00 0.00 C ATOM 0 H PHE A 53 -5.669 15.559 -9.246 1.00 0.00 H new ATOM 0 HA PHE A 53 -6.666 18.145 -8.494 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -6.324 15.452 -7.292 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -6.037 16.750 -6.151 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -7.893 18.762 -6.412 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -8.514 14.586 -7.267 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -10.338 19.063 -6.090 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -10.960 14.892 -6.949 1.00 0.00 H new ATOM 0 HZ PHE A 53 -11.874 17.130 -6.371 1.00 0.00 H new ATOM 821 N ARG A 54 -3.512 17.873 -8.313 1.00 0.00 N ATOM 822 CA ARG A 54 -2.221 18.463 -7.898 1.00 0.00 C ATOM 823 C ARG A 54 -2.236 19.987 -7.779 1.00 0.00 C ATOM 824 O ARG A 54 -1.541 20.544 -6.939 1.00 0.00 O ATOM 825 CB ARG A 54 -1.089 17.986 -8.832 1.00 0.00 C ATOM 826 CG ARG A 54 -0.991 18.748 -10.172 1.00 0.00 C ATOM 827 CD ARG A 54 -0.040 18.102 -11.194 1.00 0.00 C ATOM 828 NE ARG A 54 1.230 17.680 -10.585 1.00 0.00 N ATOM 829 CZ ARG A 54 2.165 16.911 -11.101 1.00 0.00 C ATOM 830 NH1 ARG A 54 2.136 16.479 -12.329 1.00 0.00 N ATOM 831 NH2 ARG A 54 3.156 16.568 -10.343 1.00 0.00 N ATOM 0 H ARG A 54 -3.416 17.229 -9.098 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.034 18.102 -6.887 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.139 18.080 -8.306 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -1.233 16.926 -9.042 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -1.986 18.818 -10.611 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.657 19.767 -9.975 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.528 17.239 -11.646 1.00 0.00 H new ATOM 0 HD3 ARG A 54 0.162 18.811 -11.997 1.00 0.00 H new ATOM 0 HE ARG A 54 1.409 18.027 -9.643 1.00 0.00 H new ATOM 0 HH11 ARG A 54 1.362 16.735 -12.942 1.00 0.00 H new ATOM 0 HH12 ARG A 54 2.888 15.885 -12.678 1.00 0.00 H new ATOM 0 HH21 ARG A 54 3.195 16.893 -9.377 1.00 0.00 H new ATOM 0 HH22 ARG A 54 3.898 15.973 -10.712 1.00 0.00 H new ATOM 845 N GLU A 55 -3.061 20.639 -8.597 1.00 0.00 N ATOM 846 CA GLU A 55 -3.278 22.091 -8.658 1.00 0.00 C ATOM 847 C GLU A 55 -3.578 22.738 -7.299 1.00 0.00 C ATOM 848 O GLU A 55 -3.222 23.890 -7.055 1.00 0.00 O ATOM 849 CB GLU A 55 -4.448 22.377 -9.604 1.00 0.00 C ATOM 850 CG GLU A 55 -4.099 22.097 -11.067 1.00 0.00 C ATOM 851 CD GLU A 55 -3.445 23.317 -11.744 1.00 0.00 C ATOM 852 OE1 GLU A 55 -2.315 23.696 -11.354 1.00 0.00 O ATOM 853 OE2 GLU A 55 -4.055 23.904 -12.674 1.00 0.00 O ATOM 0 H GLU A 55 -3.633 20.140 -9.279 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.345 22.528 -9.014 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -5.303 21.766 -9.314 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.750 23.419 -9.499 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -3.422 21.245 -11.122 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -5.003 21.822 -11.610 1.00 0.00 H new ATOM 860 N GLU A 56 -4.216 21.983 -6.405 1.00 0.00 N ATOM 861 CA GLU A 56 -4.530 22.381 -5.026 1.00 0.00 C ATOM 862 C GLU A 56 -3.288 22.664 -4.143 1.00 0.00 C ATOM 863 O GLU A 56 -3.413 23.320 -3.106 1.00 0.00 O ATOM 864 CB GLU A 56 -5.431 21.292 -4.413 1.00 0.00 C ATOM 865 CG GLU A 56 -6.128 21.724 -3.116 1.00 0.00 C ATOM 866 CD GLU A 56 -7.257 20.746 -2.738 1.00 0.00 C ATOM 867 OE1 GLU A 56 -6.976 19.702 -2.101 1.00 0.00 O ATOM 868 OE2 GLU A 56 -8.438 21.029 -3.061 1.00 0.00 O ATOM 0 H GLU A 56 -4.542 21.042 -6.626 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.048 23.339 -5.061 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.188 21.006 -5.143 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.829 20.405 -4.213 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.399 21.772 -2.307 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.537 22.727 -3.237 1.00 0.00 H new ATOM 875 N SER A 57 -2.089 22.219 -4.543 1.00 0.00 N ATOM 876 CA SER A 57 -0.829 22.355 -3.789 1.00 0.00 C ATOM 877 C SER A 57 0.364 22.740 -4.677 1.00 0.00 C ATOM 878 O SER A 57 0.702 22.055 -5.647 1.00 0.00 O ATOM 879 CB SER A 57 -0.547 21.048 -3.045 1.00 0.00 C ATOM 880 OG SER A 57 0.794 21.000 -2.589 1.00 0.00 O ATOM 0 H SER A 57 -1.962 21.736 -5.433 1.00 0.00 H new ATOM 0 HA SER A 57 -0.954 23.173 -3.080 1.00 0.00 H new ATOM 0 HB2 SER A 57 -1.226 20.954 -2.198 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.741 20.202 -3.704 1.00 0.00 H new ATOM 0 HG SER A 57 0.879 21.526 -1.766 1.00 0.00 H new ATOM 886 N LEU A 58 1.053 23.829 -4.316 1.00 0.00 N ATOM 887 CA LEU A 58 2.244 24.329 -5.015 1.00 0.00 C ATOM 888 C LEU A 58 3.381 23.293 -5.065 1.00 0.00 C ATOM 889 O LEU A 58 4.098 23.218 -6.063 1.00 0.00 O ATOM 890 CB LEU A 58 2.735 25.635 -4.353 1.00 0.00 C ATOM 891 CG LEU A 58 1.991 26.938 -4.716 1.00 0.00 C ATOM 892 CD1 LEU A 58 2.100 27.275 -6.205 1.00 0.00 C ATOM 893 CD2 LEU A 58 0.512 26.936 -4.330 1.00 0.00 C ATOM 0 H LEU A 58 0.793 24.400 -3.512 1.00 0.00 H new ATOM 0 HA LEU A 58 1.953 24.528 -6.047 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.681 25.506 -3.272 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.787 25.766 -4.606 1.00 0.00 H new ATOM 0 HG LEU A 58 2.497 27.701 -4.124 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.560 28.200 -6.409 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.149 27.400 -6.474 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.668 26.466 -6.794 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.060 27.885 -4.618 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.003 26.121 -4.844 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.417 26.801 -3.253 1.00 0.00 H new ATOM 905 N VAL A 59 3.533 22.471 -4.021 1.00 0.00 N ATOM 906 CA VAL A 59 4.589 21.441 -3.948 1.00 0.00 C ATOM 907 C VAL A 59 4.266 20.242 -4.845 1.00 0.00 C ATOM 908 O VAL A 59 5.169 19.630 -5.413 1.00 0.00 O ATOM 909 CB VAL A 59 4.895 20.997 -2.493 1.00 0.00 C ATOM 910 CG1 VAL A 59 4.660 22.130 -1.478 1.00 0.00 C ATOM 911 CG2 VAL A 59 4.127 19.765 -1.997 1.00 0.00 C ATOM 0 H VAL A 59 2.929 22.497 -3.199 1.00 0.00 H new ATOM 0 HA VAL A 59 5.500 21.905 -4.326 1.00 0.00 H new ATOM 0 HB VAL A 59 5.949 20.725 -2.549 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.887 21.772 -0.474 1.00 0.00 H new ATOM 0 HG12 VAL A 59 5.308 22.973 -1.718 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.618 22.448 -1.523 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.418 19.544 -0.970 1.00 0.00 H new ATOM 0 HG22 VAL A 59 3.056 19.964 -2.036 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.361 18.910 -2.632 1.00 0.00 H new ATOM 921 N CYS A 60 2.977 19.920 -5.003 1.00 0.00 N ATOM 922 CA CYS A 60 2.473 18.791 -5.782 1.00 0.00 C ATOM 923 C CYS A 60 2.521 19.045 -7.289 1.00 0.00 C ATOM 924 O CYS A 60 2.578 18.096 -8.073 1.00 0.00 O ATOM 925 CB CYS A 60 1.031 18.521 -5.342 1.00 0.00 C ATOM 926 SG CYS A 60 1.065 17.642 -3.752 1.00 0.00 S ATOM 0 H CYS A 60 2.229 20.463 -4.573 1.00 0.00 H new ATOM 0 HA CYS A 60 3.113 17.928 -5.595 1.00 0.00 H new ATOM 0 HB2 CYS A 60 0.483 19.458 -5.244 1.00 0.00 H new ATOM 0 HB3 CYS A 60 0.512 17.925 -6.093 1.00 0.00 H new ATOM 0 HG CYS A 60 0.985 18.501 -2.779 1.00 0.00 H new ATOM 932 N LYS A 61 2.524 20.312 -7.713 1.00 0.00 N ATOM 933 CA LYS A 61 2.669 20.730 -9.116 1.00 0.00 C ATOM 934 C LYS A 61 4.064 20.450 -9.704 1.00 0.00 C ATOM 935 O LYS A 61 4.219 20.431 -10.924 1.00 0.00 O ATOM 936 CB LYS A 61 2.280 22.209 -9.234 1.00 0.00 C ATOM 937 CG LYS A 61 0.751 22.347 -9.129 1.00 0.00 C ATOM 938 CD LYS A 61 0.303 23.744 -8.696 1.00 0.00 C ATOM 939 CE LYS A 61 0.737 24.890 -9.621 1.00 0.00 C ATOM 940 NZ LYS A 61 0.226 24.722 -11.008 1.00 0.00 N ATOM 0 H LYS A 61 2.423 21.100 -7.073 1.00 0.00 H new ATOM 0 HA LYS A 61 1.994 20.123 -9.719 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.763 22.787 -8.446 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.628 22.613 -10.185 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.304 22.112 -10.095 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.374 21.614 -8.416 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.784 23.752 -8.621 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.692 23.939 -7.697 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.378 25.836 -9.216 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.825 24.945 -9.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 0.081 25.657 -11.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.917 24.184 -11.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.678 24.208 -10.985 1.00 0.00 H new ATOM 954 N ASP A 62 5.048 20.151 -8.854 1.00 0.00 N ATOM 955 CA ASP A 62 6.391 19.672 -9.202 1.00 0.00 C ATOM 956 C ASP A 62 6.717 18.408 -8.382 1.00 0.00 C ATOM 957 O ASP A 62 7.435 18.459 -7.382 1.00 0.00 O ATOM 958 CB ASP A 62 7.423 20.796 -9.004 1.00 0.00 C ATOM 959 CG ASP A 62 7.314 21.882 -10.086 1.00 0.00 C ATOM 960 OD1 ASP A 62 7.820 21.657 -11.211 1.00 0.00 O ATOM 961 OD2 ASP A 62 6.769 22.976 -9.806 1.00 0.00 O ATOM 0 H ASP A 62 4.924 20.241 -7.846 1.00 0.00 H new ATOM 0 HA ASP A 62 6.430 19.394 -10.255 1.00 0.00 H new ATOM 0 HB2 ASP A 62 7.281 21.248 -8.022 1.00 0.00 H new ATOM 0 HB3 ASP A 62 8.427 20.372 -9.018 1.00 0.00 H new ATOM 966 N ALA A 63 6.129 17.278 -8.799 1.00 0.00 N ATOM 967 CA ALA A 63 6.228 15.953 -8.173 1.00 0.00 C ATOM 968 C ALA A 63 6.000 14.813 -9.195 1.00 0.00 C ATOM 969 O ALA A 63 5.455 15.045 -10.279 1.00 0.00 O ATOM 970 CB ALA A 63 5.167 15.881 -7.061 1.00 0.00 C ATOM 0 H ALA A 63 5.538 17.264 -9.630 1.00 0.00 H new ATOM 0 HA ALA A 63 7.232 15.821 -7.769 1.00 0.00 H new ATOM 0 HB1 ALA A 63 5.215 14.906 -6.575 1.00 0.00 H new ATOM 0 HB2 ALA A 63 5.357 16.663 -6.326 1.00 0.00 H new ATOM 0 HB3 ALA A 63 4.177 16.023 -7.493 1.00 0.00 H new ATOM 976 N ILE A 64 6.333 13.571 -8.833 1.00 0.00 N ATOM 977 CA ILE A 64 6.004 12.329 -9.570 1.00 0.00 C ATOM 978 C ILE A 64 5.492 11.268 -8.570 1.00 0.00 C ATOM 979 O ILE A 64 5.895 11.278 -7.406 1.00 0.00 O ATOM 980 CB ILE A 64 7.247 11.852 -10.370 1.00 0.00 C ATOM 981 CG1 ILE A 64 7.657 12.889 -11.447 1.00 0.00 C ATOM 982 CG2 ILE A 64 7.031 10.471 -11.024 1.00 0.00 C ATOM 983 CD1 ILE A 64 8.990 12.587 -12.143 1.00 0.00 C ATOM 0 H ILE A 64 6.863 13.386 -7.981 1.00 0.00 H new ATOM 0 HA ILE A 64 5.209 12.508 -10.294 1.00 0.00 H new ATOM 0 HB ILE A 64 8.057 11.755 -9.647 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.871 12.942 -12.201 1.00 0.00 H new ATOM 0 HG13 ILE A 64 7.719 13.873 -10.982 1.00 0.00 H new ATOM 0 HG21 ILE A 64 7.929 10.183 -11.571 1.00 0.00 H new ATOM 0 HG22 ILE A 64 6.824 9.731 -10.251 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.187 10.522 -11.712 1.00 0.00 H new ATOM 0 HD11 ILE A 64 9.199 13.362 -12.880 1.00 0.00 H new ATOM 0 HD12 ILE A 64 9.790 12.565 -11.403 1.00 0.00 H new ATOM 0 HD13 ILE A 64 8.929 11.619 -12.641 1.00 0.00 H new ATOM 995 N LEU A 65 4.628 10.339 -9.001 1.00 0.00 N ATOM 996 CA LEU A 65 4.030 9.291 -8.159 1.00 0.00 C ATOM 997 C LEU A 65 4.434 7.896 -8.672 1.00 0.00 C ATOM 998 O LEU A 65 4.028 7.477 -9.759 1.00 0.00 O ATOM 999 CB LEU A 65 2.516 9.567 -8.085 1.00 0.00 C ATOM 1000 CG LEU A 65 1.654 8.660 -7.182 1.00 0.00 C ATOM 1001 CD1 LEU A 65 0.385 9.412 -6.784 1.00 0.00 C ATOM 1002 CD2 LEU A 65 1.240 7.356 -7.854 1.00 0.00 C ATOM 0 H LEU A 65 4.317 10.293 -9.971 1.00 0.00 H new ATOM 0 HA LEU A 65 4.405 9.308 -7.136 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.381 10.596 -7.750 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.116 9.506 -9.097 1.00 0.00 H new ATOM 0 HG LEU A 65 2.268 8.407 -6.318 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.229 8.777 -6.146 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.654 10.319 -6.242 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.177 9.678 -7.680 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.637 6.767 -7.164 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.657 7.577 -8.748 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.130 6.791 -8.131 1.00 0.00 H new ATOM 1014 N ASP A 66 5.267 7.193 -7.901 1.00 0.00 N ATOM 1015 CA ASP A 66 5.774 5.842 -8.176 1.00 0.00 C ATOM 1016 C ASP A 66 4.899 4.771 -7.502 1.00 0.00 C ATOM 1017 O ASP A 66 4.906 4.601 -6.279 1.00 0.00 O ATOM 1018 CB ASP A 66 7.246 5.704 -7.726 1.00 0.00 C ATOM 1019 CG ASP A 66 8.287 6.071 -8.803 1.00 0.00 C ATOM 1020 OD1 ASP A 66 7.939 6.662 -9.850 1.00 0.00 O ATOM 1021 OD2 ASP A 66 9.487 5.766 -8.590 1.00 0.00 O ATOM 0 H ASP A 66 5.626 7.568 -7.023 1.00 0.00 H new ATOM 0 HA ASP A 66 5.729 5.684 -9.254 1.00 0.00 H new ATOM 0 HB2 ASP A 66 7.406 6.339 -6.854 1.00 0.00 H new ATOM 0 HB3 ASP A 66 7.419 4.676 -7.408 1.00 0.00 H new ATOM 1026 N ILE A 67 4.138 4.036 -8.314 1.00 0.00 N ATOM 1027 CA ILE A 67 3.378 2.851 -7.894 1.00 0.00 C ATOM 1028 C ILE A 67 4.337 1.696 -7.538 1.00 0.00 C ATOM 1029 O ILE A 67 5.314 1.450 -8.251 1.00 0.00 O ATOM 1030 CB ILE A 67 2.415 2.403 -9.020 1.00 0.00 C ATOM 1031 CG1 ILE A 67 1.563 3.542 -9.633 1.00 0.00 C ATOM 1032 CG2 ILE A 67 1.492 1.286 -8.505 1.00 0.00 C ATOM 1033 CD1 ILE A 67 0.469 4.105 -8.717 1.00 0.00 C ATOM 0 H ILE A 67 4.028 4.250 -9.305 1.00 0.00 H new ATOM 0 HA ILE A 67 2.795 3.112 -7.011 1.00 0.00 H new ATOM 0 HB ILE A 67 3.054 2.042 -9.826 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.228 4.356 -9.921 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.096 3.173 -10.546 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.817 0.975 -9.302 1.00 0.00 H new ATOM 0 HG22 ILE A 67 2.094 0.435 -8.187 1.00 0.00 H new ATOM 0 HG23 ILE A 67 0.910 1.655 -7.660 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -0.070 4.896 -9.238 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.225 3.309 -8.448 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.924 4.510 -7.813 1.00 0.00 H new ATOM 1045 N VAL A 68 4.028 0.947 -6.475 1.00 0.00 N ATOM 1046 CA VAL A 68 4.735 -0.270 -6.036 1.00 0.00 C ATOM 1047 C VAL A 68 3.740 -1.413 -5.830 1.00 0.00 C ATOM 1048 O VAL A 68 2.790 -1.293 -5.061 1.00 0.00 O ATOM 1049 CB VAL A 68 5.539 -0.013 -4.744 1.00 0.00 C ATOM 1050 CG1 VAL A 68 6.189 -1.287 -4.184 1.00 0.00 C ATOM 1051 CG2 VAL A 68 6.665 0.994 -5.004 1.00 0.00 C ATOM 0 H VAL A 68 3.243 1.179 -5.866 1.00 0.00 H new ATOM 0 HA VAL A 68 5.441 -0.553 -6.817 1.00 0.00 H new ATOM 0 HB VAL A 68 4.820 0.370 -4.019 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.741 -1.045 -3.276 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.415 -2.019 -3.954 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.873 -1.702 -4.924 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.222 1.163 -4.082 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.337 0.600 -5.766 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.238 1.936 -5.349 1.00 0.00 H new ATOM 1061 N ASP A 69 3.962 -2.535 -6.511 1.00 0.00 N ATOM 1062 CA ASP A 69 3.220 -3.781 -6.289 1.00 0.00 C ATOM 1063 C ASP A 69 3.720 -4.488 -5.010 1.00 0.00 C ATOM 1064 O ASP A 69 4.733 -5.193 -5.020 1.00 0.00 O ATOM 1065 CB ASP A 69 3.317 -4.687 -7.526 1.00 0.00 C ATOM 1066 CG ASP A 69 2.590 -4.076 -8.733 1.00 0.00 C ATOM 1067 OD1 ASP A 69 1.345 -3.933 -8.685 1.00 0.00 O ATOM 1068 OD2 ASP A 69 3.255 -3.741 -9.742 1.00 0.00 O ATOM 0 H ASP A 69 4.670 -2.609 -7.242 1.00 0.00 H new ATOM 0 HA ASP A 69 2.166 -3.547 -6.137 1.00 0.00 H new ATOM 0 HB2 ASP A 69 4.365 -4.851 -7.777 1.00 0.00 H new ATOM 0 HB3 ASP A 69 2.888 -5.663 -7.298 1.00 0.00 H new ATOM 1073 N GLU A 70 3.028 -4.281 -3.889 1.00 0.00 N ATOM 1074 CA GLU A 70 3.229 -5.032 -2.646 1.00 0.00 C ATOM 1075 C GLU A 70 2.798 -6.496 -2.819 1.00 0.00 C ATOM 1076 O GLU A 70 1.769 -6.783 -3.440 1.00 0.00 O ATOM 1077 CB GLU A 70 2.393 -4.431 -1.506 1.00 0.00 C ATOM 1078 CG GLU A 70 2.943 -3.116 -0.959 1.00 0.00 C ATOM 1079 CD GLU A 70 2.143 -2.720 0.297 1.00 0.00 C ATOM 1080 OE1 GLU A 70 2.249 -3.429 1.329 1.00 0.00 O ATOM 1081 OE2 GLU A 70 1.400 -1.712 0.251 1.00 0.00 O ATOM 0 H GLU A 70 2.297 -3.573 -3.817 1.00 0.00 H new ATOM 0 HA GLU A 70 4.291 -4.977 -2.405 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.376 -4.267 -1.862 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.333 -5.154 -0.693 1.00 0.00 H new ATOM 0 HG2 GLU A 70 4.000 -3.223 -0.714 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.869 -2.334 -1.715 1.00 0.00 H new ATOM 1088 N LYS A 71 3.511 -7.429 -2.173 1.00 0.00 N ATOM 1089 CA LYS A 71 3.030 -8.813 -2.015 1.00 0.00 C ATOM 1090 C LYS A 71 1.721 -8.866 -1.208 1.00 0.00 C ATOM 1091 O LYS A 71 1.376 -7.917 -0.495 1.00 0.00 O ATOM 1092 CB LYS A 71 4.160 -9.753 -1.530 1.00 0.00 C ATOM 1093 CG LYS A 71 4.921 -9.360 -0.250 1.00 0.00 C ATOM 1094 CD LYS A 71 4.080 -9.378 1.032 1.00 0.00 C ATOM 1095 CE LYS A 71 3.532 -10.762 1.421 1.00 0.00 C ATOM 1096 NZ LYS A 71 4.600 -11.700 1.844 1.00 0.00 N ATOM 0 H LYS A 71 4.423 -7.253 -1.751 1.00 0.00 H new ATOM 0 HA LYS A 71 2.755 -9.211 -2.992 1.00 0.00 H new ATOM 0 HB2 LYS A 71 3.729 -10.742 -1.373 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.887 -9.847 -2.337 1.00 0.00 H new ATOM 0 HG2 LYS A 71 5.765 -10.039 -0.123 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.334 -8.360 -0.383 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.687 -8.998 1.854 1.00 0.00 H new ATOM 0 HD3 LYS A 71 3.242 -8.691 0.911 1.00 0.00 H new ATOM 0 HE2 LYS A 71 2.811 -10.649 2.231 1.00 0.00 H new ATOM 0 HE3 LYS A 71 2.995 -11.187 0.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 4.171 -12.539 2.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 5.155 -11.991 1.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 5.224 -11.229 2.530 1.00 0.00 H new ATOM 1110 N VAL A 72 1.017 -9.996 -1.272 1.00 0.00 N ATOM 1111 CA VAL A 72 -0.183 -10.267 -0.457 1.00 0.00 C ATOM 1112 C VAL A 72 0.022 -11.487 0.438 1.00 0.00 C ATOM 1113 O VAL A 72 0.892 -12.319 0.180 1.00 0.00 O ATOM 1114 CB VAL A 72 -1.457 -10.417 -1.312 1.00 0.00 C ATOM 1115 CG1 VAL A 72 -1.732 -9.153 -2.134 1.00 0.00 C ATOM 1116 CG2 VAL A 72 -1.405 -11.624 -2.254 1.00 0.00 C ATOM 0 H VAL A 72 1.262 -10.764 -1.898 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.331 -9.395 0.180 1.00 0.00 H new ATOM 0 HB VAL A 72 -2.268 -10.577 -0.601 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -2.637 -9.293 -2.725 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -1.864 -8.304 -1.463 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -0.890 -8.961 -2.799 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -2.329 -11.677 -2.829 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -0.560 -11.518 -2.934 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -1.289 -12.537 -1.670 1.00 0.00 H new ATOM 1126 N GLU A 73 -0.788 -11.613 1.486 1.00 0.00 N ATOM 1127 CA GLU A 73 -0.796 -12.785 2.366 1.00 0.00 C ATOM 1128 C GLU A 73 -2.139 -12.915 3.094 1.00 0.00 C ATOM 1129 O GLU A 73 -2.753 -11.910 3.465 1.00 0.00 O ATOM 1130 CB GLU A 73 0.348 -12.675 3.396 1.00 0.00 C ATOM 1131 CG GLU A 73 0.952 -14.039 3.752 1.00 0.00 C ATOM 1132 CD GLU A 73 2.056 -14.484 2.773 1.00 0.00 C ATOM 1133 OE1 GLU A 73 3.137 -13.846 2.756 1.00 0.00 O ATOM 1134 OE2 GLU A 73 1.871 -15.496 2.060 1.00 0.00 O ATOM 0 H GLU A 73 -1.465 -10.899 1.753 1.00 0.00 H new ATOM 0 HA GLU A 73 -0.650 -13.674 1.753 1.00 0.00 H new ATOM 0 HB2 GLU A 73 1.130 -12.028 2.998 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -0.028 -12.200 4.302 1.00 0.00 H new ATOM 0 HG2 GLU A 73 1.364 -13.995 4.760 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.161 -14.789 3.763 1.00 0.00 H new ATOM 1141 N LEU A 74 -2.592 -14.151 3.303 1.00 0.00 N ATOM 1142 CA LEU A 74 -3.881 -14.503 3.896 1.00 0.00 C ATOM 1143 C LEU A 74 -3.697 -15.410 5.122 1.00 0.00 C ATOM 1144 O LEU A 74 -3.082 -16.474 5.030 1.00 0.00 O ATOM 1145 CB LEU A 74 -4.762 -15.203 2.847 1.00 0.00 C ATOM 1146 CG LEU A 74 -5.498 -14.297 1.843 1.00 0.00 C ATOM 1147 CD1 LEU A 74 -4.603 -13.385 1.007 1.00 0.00 C ATOM 1148 CD2 LEU A 74 -6.319 -15.189 0.915 1.00 0.00 C ATOM 0 H LEU A 74 -2.043 -14.973 3.051 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.370 -13.586 4.226 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.135 -15.895 2.284 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -5.506 -15.802 3.373 1.00 0.00 H new ATOM 0 HG LEU A 74 -6.116 -13.621 2.434 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.219 -12.789 0.333 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -4.042 -12.723 1.666 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.909 -13.991 0.424 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -6.851 -14.570 0.193 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -5.655 -15.874 0.387 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -7.038 -15.761 1.502 1.00 0.00 H new ATOM 1160 N GLU A 75 -4.243 -15.001 6.268 1.00 0.00 N ATOM 1161 CA GLU A 75 -4.317 -15.827 7.485 1.00 0.00 C ATOM 1162 C GLU A 75 -5.678 -16.526 7.622 1.00 0.00 C ATOM 1163 O GLU A 75 -6.696 -16.050 7.111 1.00 0.00 O ATOM 1164 CB GLU A 75 -3.988 -14.991 8.736 1.00 0.00 C ATOM 1165 CG GLU A 75 -5.065 -13.971 9.139 1.00 0.00 C ATOM 1166 CD GLU A 75 -4.631 -13.168 10.380 1.00 0.00 C ATOM 1167 OE1 GLU A 75 -3.650 -12.390 10.296 1.00 0.00 O ATOM 1168 OE2 GLU A 75 -5.273 -13.295 11.451 1.00 0.00 O ATOM 0 H GLU A 75 -4.653 -14.074 6.384 1.00 0.00 H new ATOM 0 HA GLU A 75 -3.565 -16.611 7.394 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -3.820 -15.669 9.573 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -3.052 -14.459 8.563 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -5.254 -13.290 8.309 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -6.001 -14.489 9.346 1.00 0.00 H new ATOM 1175 N CYS A 76 -5.713 -17.637 8.360 1.00 0.00 N ATOM 1176 CA CYS A 76 -6.947 -18.294 8.785 1.00 0.00 C ATOM 1177 C CYS A 76 -7.517 -17.656 10.074 1.00 0.00 C ATOM 1178 O CYS A 76 -6.781 -17.105 10.900 1.00 0.00 O ATOM 1179 CB CYS A 76 -6.604 -19.761 9.025 1.00 0.00 C ATOM 1180 SG CYS A 76 -8.079 -20.829 8.907 1.00 0.00 S ATOM 0 H CYS A 76 -4.870 -18.112 8.684 1.00 0.00 H new ATOM 0 HA CYS A 76 -7.715 -18.185 8.019 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -5.861 -20.085 8.296 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -6.152 -19.872 10.011 1.00 0.00 H new ATOM 0 HG CYS A 76 -7.778 -22.030 9.305 1.00 0.00 H new ATOM 1185 N LYS A 77 -8.832 -17.789 10.272 1.00 0.00 N ATOM 1186 CA LYS A 77 -9.599 -17.359 11.454 1.00 0.00 C ATOM 1187 C LYS A 77 -9.224 -18.106 12.742 1.00 0.00 C ATOM 1188 O LYS A 77 -8.670 -17.508 13.664 1.00 0.00 O ATOM 1189 CB LYS A 77 -11.099 -17.527 11.146 1.00 0.00 C ATOM 1190 CG LYS A 77 -11.600 -16.548 10.075 1.00 0.00 C ATOM 1191 CD LYS A 77 -12.196 -15.251 10.625 1.00 0.00 C ATOM 1192 CE LYS A 77 -11.263 -14.357 11.462 1.00 0.00 C ATOM 1193 NZ LYS A 77 -11.427 -14.557 12.929 1.00 0.00 N ATOM 0 H LYS A 77 -9.430 -18.226 9.570 1.00 0.00 H new ATOM 0 HA LYS A 77 -9.353 -16.315 11.646 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -11.285 -18.548 10.813 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -11.672 -17.381 12.062 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -10.771 -16.299 9.413 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -12.353 -17.049 9.467 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -12.565 -14.664 9.784 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -13.060 -15.508 11.238 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -10.229 -14.562 11.186 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -11.456 -13.312 11.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -10.774 -13.929 13.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -12.406 -14.335 13.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -11.216 -15.546 13.170 1.00 0.00 H new ATOM 1207 N ASP A 78 -9.579 -19.387 12.826 1.00 0.00 N ATOM 1208 CA ASP A 78 -9.495 -20.235 14.030 1.00 0.00 C ATOM 1209 C ASP A 78 -8.483 -21.388 13.846 1.00 0.00 C ATOM 1210 O ASP A 78 -8.819 -22.576 13.885 1.00 0.00 O ATOM 1211 CB ASP A 78 -10.911 -20.698 14.420 1.00 0.00 C ATOM 1212 CG ASP A 78 -10.948 -21.463 15.758 1.00 0.00 C ATOM 1213 OD1 ASP A 78 -10.236 -21.067 16.713 1.00 0.00 O ATOM 1214 OD2 ASP A 78 -11.732 -22.436 15.879 1.00 0.00 O ATOM 0 H ASP A 78 -9.952 -19.893 12.022 1.00 0.00 H new ATOM 0 HA ASP A 78 -9.101 -19.657 14.866 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -11.566 -19.829 14.486 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -11.308 -21.337 13.631 1.00 0.00 H new ATOM 1219 N CYS A 79 -7.233 -20.994 13.593 1.00 0.00 N ATOM 1220 CA CYS A 79 -6.102 -21.807 13.139 1.00 0.00 C ATOM 1221 C CYS A 79 -4.795 -21.296 13.799 1.00 0.00 C ATOM 1222 O CYS A 79 -4.820 -20.695 14.878 1.00 0.00 O ATOM 1223 CB CYS A 79 -6.088 -21.666 11.608 1.00 0.00 C ATOM 1224 SG CYS A 79 -5.947 -23.211 10.655 1.00 0.00 S ATOM 0 H CYS A 79 -6.963 -20.017 13.710 1.00 0.00 H new ATOM 0 HA CYS A 79 -6.188 -22.857 13.419 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -7.003 -21.159 11.303 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -5.257 -21.017 11.332 1.00 0.00 H new ATOM 0 HG CYS A 79 -7.126 -23.580 10.250 1.00 0.00 H new ATOM 1229 N SER A 80 -3.652 -21.510 13.139 1.00 0.00 N ATOM 1230 CA SER A 80 -2.359 -20.886 13.497 1.00 0.00 C ATOM 1231 C SER A 80 -1.440 -20.604 12.288 1.00 0.00 C ATOM 1232 O SER A 80 -0.240 -20.379 12.459 1.00 0.00 O ATOM 1233 CB SER A 80 -1.648 -21.741 14.562 1.00 0.00 C ATOM 1234 OG SER A 80 -0.674 -20.993 15.272 1.00 0.00 O ATOM 0 H SER A 80 -3.590 -22.128 12.330 1.00 0.00 H new ATOM 0 HA SER A 80 -2.585 -19.903 13.909 1.00 0.00 H new ATOM 0 HB2 SER A 80 -2.384 -22.136 15.262 1.00 0.00 H new ATOM 0 HB3 SER A 80 -1.172 -22.597 14.083 1.00 0.00 H new ATOM 0 HG SER A 80 -0.097 -20.520 14.636 1.00 0.00 H new ATOM 1240 N HIS A 81 -1.968 -20.659 11.058 1.00 0.00 N ATOM 1241 CA HIS A 81 -1.190 -20.657 9.813 1.00 0.00 C ATOM 1242 C HIS A 81 -1.642 -19.579 8.799 1.00 0.00 C ATOM 1243 O HIS A 81 -2.758 -19.052 8.868 1.00 0.00 O ATOM 1244 CB HIS A 81 -1.253 -22.086 9.261 1.00 0.00 C ATOM 1245 CG HIS A 81 -0.484 -22.289 7.987 1.00 0.00 C ATOM 1246 ND1 HIS A 81 0.873 -22.122 7.807 1.00 0.00 N ATOM 1247 CD2 HIS A 81 -1.037 -22.609 6.781 1.00 0.00 C ATOM 1248 CE1 HIS A 81 1.135 -22.320 6.504 1.00 0.00 C ATOM 1249 NE2 HIS A 81 0.003 -22.616 5.843 1.00 0.00 N ATOM 0 H HIS A 81 -2.974 -20.707 10.898 1.00 0.00 H new ATOM 0 HA HIS A 81 -0.157 -20.374 10.013 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -0.870 -22.772 10.016 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -2.296 -22.351 9.089 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -2.079 -22.817 6.587 1.00 0.00 H new ATOM 0 HE1 HIS A 81 2.114 -22.251 6.053 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -0.083 -22.809 4.845 1.00 0.00 H new ATOM 1257 N VAL A 82 -0.739 -19.231 7.871 1.00 0.00 N ATOM 1258 CA VAL A 82 -0.799 -18.093 6.938 1.00 0.00 C ATOM 1259 C VAL A 82 -0.121 -18.469 5.603 1.00 0.00 C ATOM 1260 O VAL A 82 0.984 -19.018 5.617 1.00 0.00 O ATOM 1261 CB VAL A 82 -0.078 -16.868 7.553 1.00 0.00 C ATOM 1262 CG1 VAL A 82 -0.366 -15.599 6.754 1.00 0.00 C ATOM 1263 CG2 VAL A 82 -0.462 -16.567 9.011 1.00 0.00 C ATOM 0 H VAL A 82 0.114 -19.775 7.742 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.844 -17.844 6.755 1.00 0.00 H new ATOM 0 HB VAL A 82 0.976 -17.143 7.520 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.154 -14.756 7.210 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -0.019 -15.728 5.729 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.439 -15.406 6.752 1.00 0.00 H new ATOM 0 HG21 VAL A 82 0.090 -15.694 9.360 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -1.532 -16.368 9.072 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -0.217 -17.425 9.636 1.00 0.00 H new ATOM 1273 N PHE A 83 -0.750 -18.179 4.458 1.00 0.00 N ATOM 1274 CA PHE A 83 -0.242 -18.497 3.105 1.00 0.00 C ATOM 1275 C PHE A 83 -0.696 -17.503 2.009 1.00 0.00 C ATOM 1276 O PHE A 83 -1.408 -16.534 2.282 1.00 0.00 O ATOM 1277 CB PHE A 83 -0.626 -19.947 2.750 1.00 0.00 C ATOM 1278 CG PHE A 83 -2.113 -20.260 2.780 1.00 0.00 C ATOM 1279 CD1 PHE A 83 -2.973 -19.791 1.770 1.00 0.00 C ATOM 1280 CD2 PHE A 83 -2.635 -21.048 3.817 1.00 0.00 C ATOM 1281 CE1 PHE A 83 -4.341 -20.103 1.799 1.00 0.00 C ATOM 1282 CE2 PHE A 83 -3.998 -21.381 3.844 1.00 0.00 C ATOM 1283 CZ PHE A 83 -4.855 -20.905 2.833 1.00 0.00 C ATOM 0 H PHE A 83 -1.652 -17.703 4.439 1.00 0.00 H new ATOM 0 HA PHE A 83 0.843 -18.395 3.135 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -0.246 -20.170 1.753 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -0.118 -20.618 3.442 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -2.578 -19.187 0.967 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -1.982 -21.401 4.601 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -4.998 -19.728 1.028 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -4.389 -22.000 4.638 1.00 0.00 H new ATOM 0 HZ PHE A 83 -5.905 -21.156 2.852 1.00 0.00 H new ATOM 1293 N LYS A 84 -0.308 -17.758 0.747 1.00 0.00 N ATOM 1294 CA LYS A 84 -0.639 -16.945 -0.440 1.00 0.00 C ATOM 1295 C LYS A 84 -1.805 -17.534 -1.271 1.00 0.00 C ATOM 1296 O LYS A 84 -1.898 -18.757 -1.403 1.00 0.00 O ATOM 1297 CB LYS A 84 0.610 -16.685 -1.310 1.00 0.00 C ATOM 1298 CG LYS A 84 1.358 -17.921 -1.854 1.00 0.00 C ATOM 1299 CD LYS A 84 2.458 -18.495 -0.938 1.00 0.00 C ATOM 1300 CE LYS A 84 3.625 -17.534 -0.659 1.00 0.00 C ATOM 1301 NZ LYS A 84 4.424 -17.241 -1.880 1.00 0.00 N ATOM 0 H LYS A 84 0.267 -18.568 0.515 1.00 0.00 H new ATOM 0 HA LYS A 84 -0.992 -15.984 -0.067 1.00 0.00 H new ATOM 0 HB2 LYS A 84 0.309 -16.071 -2.159 1.00 0.00 H new ATOM 0 HB3 LYS A 84 1.314 -16.095 -0.723 1.00 0.00 H new ATOM 0 HG2 LYS A 84 0.628 -18.707 -2.051 1.00 0.00 H new ATOM 0 HG3 LYS A 84 1.809 -17.658 -2.811 1.00 0.00 H new ATOM 0 HD2 LYS A 84 2.007 -18.784 0.012 1.00 0.00 H new ATOM 0 HD3 LYS A 84 2.853 -19.403 -1.392 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.235 -16.602 -0.251 1.00 0.00 H new ATOM 0 HE3 LYS A 84 4.275 -17.967 0.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 5.198 -16.589 -1.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 4.820 -18.126 -2.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.813 -16.803 -2.598 1.00 0.00 H new ATOM 1315 N PRO A 85 -2.698 -16.694 -1.832 1.00 0.00 N ATOM 1316 CA PRO A 85 -3.893 -17.124 -2.563 1.00 0.00 C ATOM 1317 C PRO A 85 -3.564 -17.710 -3.947 1.00 0.00 C ATOM 1318 O PRO A 85 -3.187 -16.985 -4.871 1.00 0.00 O ATOM 1319 CB PRO A 85 -4.791 -15.883 -2.655 1.00 0.00 C ATOM 1320 CG PRO A 85 -3.818 -14.708 -2.557 1.00 0.00 C ATOM 1321 CD PRO A 85 -2.699 -15.249 -1.674 1.00 0.00 C ATOM 0 HA PRO A 85 -4.395 -17.939 -2.042 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -5.347 -15.862 -3.592 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -5.524 -15.861 -1.849 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -3.448 -14.410 -3.538 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -4.290 -13.831 -2.115 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -1.738 -14.828 -1.968 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -2.862 -14.975 -0.632 1.00 0.00 H new ATOM 1329 N ASN A 86 -3.737 -19.025 -4.099 1.00 0.00 N ATOM 1330 CA ASN A 86 -3.649 -19.782 -5.345 1.00 0.00 C ATOM 1331 C ASN A 86 -4.715 -20.899 -5.350 1.00 0.00 C ATOM 1332 O ASN A 86 -5.164 -21.356 -4.293 1.00 0.00 O ATOM 1333 CB ASN A 86 -2.227 -20.366 -5.492 1.00 0.00 C ATOM 1334 CG ASN A 86 -1.155 -19.306 -5.705 1.00 0.00 C ATOM 1335 OD1 ASN A 86 -0.438 -18.913 -4.795 1.00 0.00 O ATOM 1336 ND2 ASN A 86 -0.994 -18.820 -6.916 1.00 0.00 N ATOM 0 H ASN A 86 -3.956 -19.625 -3.304 1.00 0.00 H new ATOM 0 HA ASN A 86 -3.840 -19.126 -6.194 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -1.985 -20.942 -4.599 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -2.213 -21.060 -6.332 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -0.274 -18.119 -7.093 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -1.589 -19.144 -7.679 1.00 0.00 H new ATOM 1405 N GLY A 91 -8.919 -24.499 -2.726 1.00 0.00 N ATOM 1406 CA GLY A 91 -8.814 -23.161 -2.119 1.00 0.00 C ATOM 1407 C GLY A 91 -9.071 -23.075 -0.604 1.00 0.00 C ATOM 1408 O GLY A 91 -8.945 -21.991 -0.030 1.00 0.00 O ATOM 0 HA2 GLY A 91 -7.815 -22.773 -2.319 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -9.520 -22.501 -2.623 1.00 0.00 H new ATOM 1412 N VAL A 92 -9.426 -24.187 0.051 1.00 0.00 N ATOM 1413 CA VAL A 92 -9.450 -24.327 1.522 1.00 0.00 C ATOM 1414 C VAL A 92 -8.076 -24.066 2.165 1.00 0.00 C ATOM 1415 O VAL A 92 -7.041 -24.029 1.493 1.00 0.00 O ATOM 1416 CB VAL A 92 -9.978 -25.714 1.957 1.00 0.00 C ATOM 1417 CG1 VAL A 92 -11.483 -25.866 1.718 1.00 0.00 C ATOM 1418 CG2 VAL A 92 -9.280 -26.877 1.248 1.00 0.00 C ATOM 0 H VAL A 92 -9.712 -25.038 -0.434 1.00 0.00 H new ATOM 0 HA VAL A 92 -10.137 -23.561 1.881 1.00 0.00 H new ATOM 0 HB VAL A 92 -9.759 -25.759 3.024 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -11.804 -26.857 2.040 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -12.020 -25.108 2.287 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -11.697 -25.742 0.656 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -9.698 -27.821 1.599 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -9.432 -26.791 0.172 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -8.213 -26.849 1.467 1.00 0.00 H new ATOM 1428 N CYS A 93 -8.073 -23.909 3.491 1.00 0.00 N ATOM 1429 CA CYS A 93 -6.880 -23.821 4.329 1.00 0.00 C ATOM 1430 C CYS A 93 -5.970 -25.066 4.175 1.00 0.00 C ATOM 1431 O CYS A 93 -6.368 -26.124 3.672 1.00 0.00 O ATOM 1432 CB CYS A 93 -7.387 -23.576 5.754 1.00 0.00 C ATOM 1433 SG CYS A 93 -6.093 -23.223 7.012 1.00 0.00 S ATOM 0 H CYS A 93 -8.937 -23.837 4.029 1.00 0.00 H new ATOM 0 HA CYS A 93 -6.227 -23.001 4.030 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -8.085 -22.739 5.733 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -7.950 -24.452 6.075 1.00 0.00 H new ATOM 0 HG CYS A 93 -6.544 -22.352 7.865 1.00 0.00 H new ATOM 1438 N GLU A 94 -4.712 -24.920 4.578 1.00 0.00 N ATOM 1439 CA GLU A 94 -3.686 -25.953 4.544 1.00 0.00 C ATOM 1440 C GLU A 94 -3.831 -26.930 5.726 1.00 0.00 C ATOM 1441 O GLU A 94 -3.770 -28.146 5.520 1.00 0.00 O ATOM 1442 CB GLU A 94 -2.336 -25.221 4.480 1.00 0.00 C ATOM 1443 CG GLU A 94 -1.149 -25.871 5.184 1.00 0.00 C ATOM 1444 CD GLU A 94 -0.720 -27.242 4.618 1.00 0.00 C ATOM 1445 OE1 GLU A 94 -0.849 -27.484 3.393 1.00 0.00 O ATOM 1446 OE2 GLU A 94 -0.207 -28.080 5.402 1.00 0.00 O ATOM 0 H GLU A 94 -4.365 -24.037 4.954 1.00 0.00 H new ATOM 0 HA GLU A 94 -3.779 -26.597 3.669 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -2.074 -25.090 3.430 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -2.473 -24.225 4.901 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -0.298 -25.191 5.130 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -1.394 -25.992 6.239 1.00 0.00 H new ATOM 1453 N LYS A 95 -4.029 -26.423 6.954 1.00 0.00 N ATOM 1454 CA LYS A 95 -4.252 -27.236 8.156 1.00 0.00 C ATOM 1455 C LYS A 95 -5.696 -27.740 8.241 1.00 0.00 C ATOM 1456 O LYS A 95 -5.963 -28.922 8.011 1.00 0.00 O ATOM 1457 CB LYS A 95 -3.892 -26.447 9.420 1.00 0.00 C ATOM 1458 CG LYS A 95 -2.514 -25.783 9.375 1.00 0.00 C ATOM 1459 CD LYS A 95 -2.023 -25.561 10.802 1.00 0.00 C ATOM 1460 CE LYS A 95 -2.979 -24.783 11.720 1.00 0.00 C ATOM 1461 NZ LYS A 95 -2.655 -25.024 13.151 1.00 0.00 N ATOM 0 H LYS A 95 -4.038 -25.420 7.140 1.00 0.00 H new ATOM 0 HA LYS A 95 -3.598 -28.105 8.084 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -4.648 -25.679 9.582 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -3.931 -27.119 10.277 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -1.811 -26.411 8.828 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -2.571 -24.833 8.844 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -1.824 -26.533 11.254 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -1.073 -25.028 10.761 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -2.911 -23.717 11.502 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -4.007 -25.085 11.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -3.314 -24.488 13.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -2.743 -26.039 13.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -1.681 -24.714 13.343 1.00 0.00 H new ATOM 1475 N CYS A 96 -6.605 -26.834 8.604 1.00 0.00 N ATOM 1476 CA CYS A 96 -8.057 -27.039 8.578 1.00 0.00 C ATOM 1477 C CYS A 96 -8.605 -27.077 7.124 1.00 0.00 C ATOM 1478 O CYS A 96 -7.844 -26.921 6.168 1.00 0.00 O ATOM 1479 CB CYS A 96 -8.740 -26.051 9.552 1.00 0.00 C ATOM 1480 SG CYS A 96 -8.952 -24.365 8.943 1.00 0.00 S ATOM 0 H CYS A 96 -6.344 -25.906 8.936 1.00 0.00 H new ATOM 0 HA CYS A 96 -8.314 -28.029 8.956 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -9.721 -26.448 9.814 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -8.155 -26.014 10.471 1.00 0.00 H new ATOM 0 HG CYS A 96 -7.867 -23.983 8.337 1.00 0.00 H new ATOM 1485 N HIS A 97 -9.905 -27.337 6.926 1.00 0.00 N ATOM 1486 CA HIS A 97 -10.500 -27.615 5.603 1.00 0.00 C ATOM 1487 C HIS A 97 -11.651 -26.659 5.227 1.00 0.00 C ATOM 1488 O HIS A 97 -12.690 -27.084 4.711 1.00 0.00 O ATOM 1489 CB HIS A 97 -10.931 -29.088 5.498 1.00 0.00 C ATOM 1490 CG HIS A 97 -9.914 -30.113 5.942 1.00 0.00 C ATOM 1491 ND1 HIS A 97 -10.179 -31.233 6.702 1.00 0.00 N ATOM 1492 CD2 HIS A 97 -8.582 -30.132 5.626 1.00 0.00 C ATOM 1493 CE1 HIS A 97 -9.032 -31.918 6.842 1.00 0.00 C ATOM 1494 NE2 HIS A 97 -8.032 -31.287 6.201 1.00 0.00 N ATOM 0 H HIS A 97 -10.584 -27.361 7.686 1.00 0.00 H new ATOM 0 HA HIS A 97 -9.716 -27.427 4.869 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -11.836 -29.224 6.091 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -11.196 -29.295 4.461 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -8.053 -29.394 5.042 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -8.928 -32.843 7.390 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -7.060 -31.590 6.144 1.00 0.00 H new ATOM 1502 N SER A 98 -11.464 -25.360 5.468 1.00 0.00 N ATOM 1503 CA SER A 98 -12.447 -24.305 5.179 1.00 0.00 C ATOM 1504 C SER A 98 -11.818 -23.125 4.429 1.00 0.00 C ATOM 1505 O SER A 98 -10.614 -22.886 4.507 1.00 0.00 O ATOM 1506 CB SER A 98 -13.096 -23.838 6.490 1.00 0.00 C ATOM 1507 OG SER A 98 -13.964 -24.841 6.996 1.00 0.00 O ATOM 0 H SER A 98 -10.603 -25.000 5.880 1.00 0.00 H new ATOM 0 HA SER A 98 -13.213 -24.721 4.524 1.00 0.00 H new ATOM 0 HB2 SER A 98 -12.324 -23.611 7.225 1.00 0.00 H new ATOM 0 HB3 SER A 98 -13.654 -22.917 6.319 1.00 0.00 H new ATOM 0 HG SER A 98 -14.370 -24.531 7.833 1.00 0.00 H new ATOM 1513 N LYS A 99 -12.646 -22.376 3.690 1.00 0.00 N ATOM 1514 CA LYS A 99 -12.292 -21.199 2.863 1.00 0.00 C ATOM 1515 C LYS A 99 -12.418 -19.854 3.611 1.00 0.00 C ATOM 1516 O LYS A 99 -12.429 -18.790 2.996 1.00 0.00 O ATOM 1517 CB LYS A 99 -13.132 -21.256 1.566 1.00 0.00 C ATOM 1518 CG LYS A 99 -12.451 -22.167 0.532 1.00 0.00 C ATOM 1519 CD LYS A 99 -13.364 -22.586 -0.626 1.00 0.00 C ATOM 1520 CE LYS A 99 -14.196 -23.819 -0.248 1.00 0.00 C ATOM 1521 NZ LYS A 99 -15.097 -24.230 -1.357 1.00 0.00 N ATOM 0 H LYS A 99 -13.644 -22.582 3.646 1.00 0.00 H new ATOM 0 HA LYS A 99 -11.232 -21.248 2.613 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -14.132 -21.629 1.788 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -13.250 -20.253 1.156 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -11.580 -21.652 0.127 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -12.086 -23.062 1.036 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -14.027 -21.761 -0.889 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -12.762 -22.805 -1.508 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -13.531 -24.644 0.006 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -14.788 -23.601 0.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -15.644 -25.066 -1.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -15.748 -23.451 -1.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -14.530 -24.461 -2.197 1.00 0.00 H new ATOM 1535 N ASN A 100 -12.503 -19.895 4.943 1.00 0.00 N ATOM 1536 CA ASN A 100 -12.702 -18.751 5.847 1.00 0.00 C ATOM 1537 C ASN A 100 -11.514 -17.764 5.956 1.00 0.00 C ATOM 1538 O ASN A 100 -11.571 -16.839 6.768 1.00 0.00 O ATOM 1539 CB ASN A 100 -13.083 -19.307 7.236 1.00 0.00 C ATOM 1540 CG ASN A 100 -11.948 -20.069 7.910 1.00 0.00 C ATOM 1541 OD1 ASN A 100 -11.974 -21.283 8.011 1.00 0.00 O ATOM 1542 ND2 ASN A 100 -10.915 -19.392 8.350 1.00 0.00 N ATOM 0 H ASN A 100 -12.431 -20.776 5.452 1.00 0.00 H new ATOM 0 HA ASN A 100 -13.498 -18.144 5.415 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -13.390 -18.482 7.879 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -13.944 -19.967 7.132 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -10.129 -19.882 8.779 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -10.897 -18.376 8.264 1.00 0.00 H new ATOM 1549 N VAL A 101 -10.403 -17.992 5.250 1.00 0.00 N ATOM 1550 CA VAL A 101 -9.194 -17.148 5.295 1.00 0.00 C ATOM 1551 C VAL A 101 -9.475 -15.683 4.925 1.00 0.00 C ATOM 1552 O VAL A 101 -10.346 -15.390 4.101 1.00 0.00 O ATOM 1553 CB VAL A 101 -8.071 -17.719 4.403 1.00 0.00 C ATOM 1554 CG1 VAL A 101 -7.546 -19.052 4.946 1.00 0.00 C ATOM 1555 CG2 VAL A 101 -8.493 -17.940 2.943 1.00 0.00 C ATOM 0 H VAL A 101 -10.312 -18.785 4.615 1.00 0.00 H new ATOM 0 HA VAL A 101 -8.858 -17.162 6.332 1.00 0.00 H new ATOM 0 HB VAL A 101 -7.291 -16.958 4.425 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -6.757 -19.425 4.293 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -7.148 -18.904 5.950 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -8.360 -19.776 4.982 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -7.652 -18.343 2.378 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -9.324 -18.644 2.907 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -8.802 -16.991 2.506 1.00 0.00 H new ATOM 1565 N ILE A 102 -8.707 -14.760 5.509 1.00 0.00 N ATOM 1566 CA ILE A 102 -8.783 -13.308 5.271 1.00 0.00 C ATOM 1567 C ILE A 102 -7.411 -12.713 4.929 1.00 0.00 C ATOM 1568 O ILE A 102 -6.374 -13.210 5.364 1.00 0.00 O ATOM 1569 CB ILE A 102 -9.428 -12.553 6.459 1.00 0.00 C ATOM 1570 CG1 ILE A 102 -8.642 -12.651 7.792 1.00 0.00 C ATOM 1571 CG2 ILE A 102 -10.916 -12.923 6.611 1.00 0.00 C ATOM 1572 CD1 ILE A 102 -8.965 -13.855 8.690 1.00 0.00 C ATOM 0 H ILE A 102 -7.986 -15.008 6.187 1.00 0.00 H new ATOM 0 HA ILE A 102 -9.432 -13.173 4.406 1.00 0.00 H new ATOM 0 HB ILE A 102 -9.371 -11.495 6.203 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -7.577 -12.674 7.560 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -8.824 -11.741 8.363 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -11.342 -12.378 7.453 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -11.452 -12.659 5.699 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -11.008 -13.994 6.789 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -8.352 -13.812 9.590 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -10.019 -13.830 8.967 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -8.753 -14.778 8.151 1.00 0.00 H new ATOM 1584 N ILE A 103 -7.404 -11.619 4.163 1.00 0.00 N ATOM 1585 CA ILE A 103 -6.210 -10.906 3.710 1.00 0.00 C ATOM 1586 C ILE A 103 -5.625 -10.142 4.905 1.00 0.00 C ATOM 1587 O ILE A 103 -6.260 -9.229 5.435 1.00 0.00 O ATOM 1588 CB ILE A 103 -6.525 -9.957 2.524 1.00 0.00 C ATOM 1589 CG1 ILE A 103 -7.192 -10.614 1.289 1.00 0.00 C ATOM 1590 CG2 ILE A 103 -5.208 -9.324 2.038 1.00 0.00 C ATOM 1591 CD1 ILE A 103 -8.678 -10.973 1.429 1.00 0.00 C ATOM 0 H ILE A 103 -8.266 -11.189 3.828 1.00 0.00 H new ATOM 0 HA ILE A 103 -5.477 -11.621 3.338 1.00 0.00 H new ATOM 0 HB ILE A 103 -7.244 -9.242 2.923 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -7.082 -9.938 0.441 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -6.642 -11.523 1.046 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -5.413 -8.653 1.203 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -4.753 -8.761 2.853 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -4.525 -10.109 1.713 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -9.032 -11.425 0.503 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -8.806 -11.679 2.249 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -9.253 -10.070 1.635 1.00 0.00 H new ATOM 1603 N THR A 104 -4.419 -10.519 5.334 1.00 0.00 N ATOM 1604 CA THR A 104 -3.699 -9.891 6.458 1.00 0.00 C ATOM 1605 C THR A 104 -2.607 -8.916 5.977 1.00 0.00 C ATOM 1606 O THR A 104 -2.005 -8.184 6.764 1.00 0.00 O ATOM 1607 CB THR A 104 -3.172 -10.984 7.407 1.00 0.00 C ATOM 1608 OG1 THR A 104 -2.769 -10.444 8.642 1.00 0.00 O ATOM 1609 CG2 THR A 104 -2.030 -11.834 6.848 1.00 0.00 C ATOM 0 H THR A 104 -3.900 -11.285 4.905 1.00 0.00 H new ATOM 0 HA THR A 104 -4.394 -9.270 7.024 1.00 0.00 H new ATOM 0 HB THR A 104 -4.026 -11.649 7.535 1.00 0.00 H new ATOM 0 HG1 THR A 104 -2.999 -11.068 9.362 1.00 0.00 H new ATOM 0 HG21 THR A 104 -1.730 -12.574 7.590 1.00 0.00 H new ATOM 0 HG22 THR A 104 -2.364 -12.342 5.944 1.00 0.00 H new ATOM 0 HG23 THR A 104 -1.181 -11.193 6.611 1.00 0.00 H new ATOM 1617 N GLN A 105 -2.373 -8.870 4.659 1.00 0.00 N ATOM 1618 CA GLN A 105 -1.362 -8.058 3.980 1.00 0.00 C ATOM 1619 C GLN A 105 -1.820 -7.800 2.539 1.00 0.00 C ATOM 1620 O GLN A 105 -2.061 -8.742 1.785 1.00 0.00 O ATOM 1621 CB GLN A 105 -0.009 -8.793 4.049 1.00 0.00 C ATOM 1622 CG GLN A 105 1.061 -8.330 3.046 1.00 0.00 C ATOM 1623 CD GLN A 105 1.313 -6.819 3.013 1.00 0.00 C ATOM 1624 OE1 GLN A 105 1.327 -6.135 4.026 1.00 0.00 O ATOM 1625 NE2 GLN A 105 1.497 -6.242 1.846 1.00 0.00 N ATOM 0 H GLN A 105 -2.916 -9.431 4.003 1.00 0.00 H new ATOM 0 HA GLN A 105 -1.237 -7.089 4.463 1.00 0.00 H new ATOM 0 HB2 GLN A 105 0.392 -8.680 5.056 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -0.188 -9.857 3.894 1.00 0.00 H new ATOM 0 HG2 GLN A 105 1.999 -8.834 3.281 1.00 0.00 H new ATOM 0 HG3 GLN A 105 0.766 -8.655 2.048 1.00 0.00 H new ATOM 0 HE21 GLN A 105 1.488 -6.802 0.993 1.00 0.00 H new ATOM 0 HE22 GLN A 105 1.649 -5.235 1.793 1.00 0.00 H new ATOM 1634 N GLY A 106 -1.951 -6.524 2.169 1.00 0.00 N ATOM 1635 CA GLY A 106 -2.317 -6.075 0.820 1.00 0.00 C ATOM 1636 C GLY A 106 -3.810 -5.775 0.604 1.00 0.00 C ATOM 1637 O GLY A 106 -4.206 -5.441 -0.511 1.00 0.00 O ATOM 0 H GLY A 106 -1.801 -5.751 2.817 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -1.746 -5.176 0.588 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -2.011 -6.840 0.106 1.00 0.00 H new ATOM 1641 N ASN A 107 -4.636 -5.884 1.654 1.00 0.00 N ATOM 1642 CA ASN A 107 -6.098 -5.718 1.610 1.00 0.00 C ATOM 1643 C ASN A 107 -6.566 -4.351 1.062 1.00 0.00 C ATOM 1644 O ASN A 107 -7.597 -4.275 0.392 1.00 0.00 O ATOM 1645 CB ASN A 107 -6.649 -5.965 3.029 1.00 0.00 C ATOM 1646 CG ASN A 107 -8.168 -5.876 3.105 1.00 0.00 C ATOM 1647 OD1 ASN A 107 -8.731 -4.996 3.738 1.00 0.00 O ATOM 1648 ND2 ASN A 107 -8.882 -6.779 2.471 1.00 0.00 N ATOM 0 H ASN A 107 -4.294 -6.098 2.591 1.00 0.00 H new ATOM 0 HA ASN A 107 -6.494 -6.446 0.902 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -6.331 -6.951 3.369 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -6.214 -5.236 3.713 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -9.901 -6.743 2.509 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -8.418 -7.516 1.941 1.00 0.00 H new ATOM 1655 N GLU A 108 -5.805 -3.282 1.316 1.00 0.00 N ATOM 1656 CA GLU A 108 -6.001 -1.938 0.750 1.00 0.00 C ATOM 1657 C GLU A 108 -4.657 -1.323 0.328 1.00 0.00 C ATOM 1658 O GLU A 108 -3.607 -1.646 0.892 1.00 0.00 O ATOM 1659 CB GLU A 108 -6.689 -1.012 1.771 1.00 0.00 C ATOM 1660 CG GLU A 108 -8.116 -1.446 2.132 1.00 0.00 C ATOM 1661 CD GLU A 108 -8.798 -0.404 3.041 1.00 0.00 C ATOM 1662 OE1 GLU A 108 -8.563 -0.415 4.274 1.00 0.00 O ATOM 1663 OE2 GLU A 108 -9.583 0.433 2.529 1.00 0.00 O ATOM 0 H GLU A 108 -5.004 -3.328 1.946 1.00 0.00 H new ATOM 0 HA GLU A 108 -6.639 -2.038 -0.128 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -6.088 -0.977 2.680 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -6.717 0.001 1.369 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -8.701 -1.578 1.222 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -8.089 -2.412 2.637 1.00 0.00 H new ATOM 1670 N MET A 109 -4.685 -0.403 -0.641 1.00 0.00 N ATOM 1671 CA MET A 109 -3.520 0.409 -1.017 1.00 0.00 C ATOM 1672 C MET A 109 -3.256 1.539 -0.008 1.00 0.00 C ATOM 1673 O MET A 109 -4.195 2.107 0.555 1.00 0.00 O ATOM 1674 CB MET A 109 -3.698 0.983 -2.429 1.00 0.00 C ATOM 1675 CG MET A 109 -4.932 1.875 -2.607 1.00 0.00 C ATOM 1676 SD MET A 109 -5.002 2.742 -4.197 1.00 0.00 S ATOM 1677 CE MET A 109 -3.699 3.973 -3.914 1.00 0.00 C ATOM 0 H MET A 109 -5.520 -0.198 -1.190 1.00 0.00 H new ATOM 0 HA MET A 109 -2.650 -0.247 -1.008 1.00 0.00 H new ATOM 0 HB2 MET A 109 -2.810 1.560 -2.687 1.00 0.00 H new ATOM 0 HB3 MET A 109 -3.758 0.157 -3.137 1.00 0.00 H new ATOM 0 HG2 MET A 109 -5.827 1.262 -2.501 1.00 0.00 H new ATOM 0 HG3 MET A 109 -4.953 2.611 -1.804 1.00 0.00 H new ATOM 0 HE1 MET A 109 -4.128 4.974 -3.958 1.00 0.00 H new ATOM 0 HE2 MET A 109 -3.254 3.812 -2.932 1.00 0.00 H new ATOM 0 HE3 MET A 109 -2.931 3.873 -4.681 1.00 0.00 H new ATOM 1687 N ARG A 110 -1.979 1.896 0.185 1.00 0.00 N ATOM 1688 CA ARG A 110 -1.514 3.006 1.048 1.00 0.00 C ATOM 1689 C ARG A 110 -0.206 3.620 0.535 1.00 0.00 C ATOM 1690 O ARG A 110 0.608 2.938 -0.087 1.00 0.00 O ATOM 1691 CB ARG A 110 -1.300 2.513 2.497 1.00 0.00 C ATOM 1692 CG ARG A 110 -2.613 2.207 3.240 1.00 0.00 C ATOM 1693 CD ARG A 110 -2.402 1.904 4.729 1.00 0.00 C ATOM 1694 NE ARG A 110 -1.769 0.587 4.942 1.00 0.00 N ATOM 1695 CZ ARG A 110 -1.648 -0.057 6.090 1.00 0.00 C ATOM 1696 NH1 ARG A 110 -2.062 0.450 7.217 1.00 0.00 N ATOM 1697 NH2 ARG A 110 -1.104 -1.240 6.127 1.00 0.00 N ATOM 0 H ARG A 110 -1.208 1.406 -0.269 1.00 0.00 H new ATOM 0 HA ARG A 110 -2.290 3.771 1.025 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -0.683 1.614 2.480 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -0.745 3.270 3.052 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -3.287 3.057 3.140 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -3.102 1.355 2.767 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -1.779 2.681 5.172 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -3.362 1.932 5.244 1.00 0.00 H new ATOM 0 HE ARG A 110 -1.385 0.126 4.117 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -2.496 1.373 7.232 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -1.952 -0.076 8.084 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -0.769 -1.674 5.267 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -1.013 -1.732 7.016 1.00 0.00 H new ATOM 1711 N LEU A 111 0.032 4.899 0.841 1.00 0.00 N ATOM 1712 CA LEU A 111 1.345 5.532 0.653 1.00 0.00 C ATOM 1713 C LEU A 111 2.446 4.853 1.496 1.00 0.00 C ATOM 1714 O LEU A 111 2.169 4.274 2.549 1.00 0.00 O ATOM 1715 CB LEU A 111 1.265 7.057 0.877 1.00 0.00 C ATOM 1716 CG LEU A 111 1.286 7.574 2.332 1.00 0.00 C ATOM 1717 CD1 LEU A 111 1.292 9.104 2.318 1.00 0.00 C ATOM 1718 CD2 LEU A 111 0.080 7.119 3.157 1.00 0.00 C ATOM 0 H LEU A 111 -0.676 5.525 1.225 1.00 0.00 H new ATOM 0 HA LEU A 111 1.639 5.383 -0.386 1.00 0.00 H new ATOM 0 HB2 LEU A 111 2.098 7.517 0.346 1.00 0.00 H new ATOM 0 HB3 LEU A 111 0.350 7.417 0.407 1.00 0.00 H new ATOM 0 HG LEU A 111 2.182 7.161 2.795 1.00 0.00 H new ATOM 0 HD11 LEU A 111 1.307 9.477 3.342 1.00 0.00 H new ATOM 0 HD12 LEU A 111 2.176 9.460 1.789 1.00 0.00 H new ATOM 0 HD13 LEU A 111 0.397 9.467 1.813 1.00 0.00 H new ATOM 0 HD21 LEU A 111 0.159 7.518 4.168 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -0.836 7.484 2.694 1.00 0.00 H new ATOM 0 HD23 LEU A 111 0.057 6.030 3.198 1.00 0.00 H new ATOM 1730 N LEU A 112 3.696 4.949 1.037 1.00 0.00 N ATOM 1731 CA LEU A 112 4.870 4.307 1.644 1.00 0.00 C ATOM 1732 C LEU A 112 5.910 5.338 2.112 1.00 0.00 C ATOM 1733 O LEU A 112 6.324 5.299 3.271 1.00 0.00 O ATOM 1734 CB LEU A 112 5.468 3.280 0.658 1.00 0.00 C ATOM 1735 CG LEU A 112 4.567 2.061 0.360 1.00 0.00 C ATOM 1736 CD1 LEU A 112 5.217 1.181 -0.709 1.00 0.00 C ATOM 1737 CD2 LEU A 112 4.329 1.191 1.596 1.00 0.00 C ATOM 0 H LEU A 112 3.929 5.493 0.206 1.00 0.00 H new ATOM 0 HA LEU A 112 4.552 3.776 2.541 1.00 0.00 H new ATOM 0 HB2 LEU A 112 5.690 3.787 -0.281 1.00 0.00 H new ATOM 0 HB3 LEU A 112 6.416 2.923 1.060 1.00 0.00 H new ATOM 0 HG LEU A 112 3.610 2.459 0.021 1.00 0.00 H new ATOM 0 HD11 LEU A 112 4.576 0.324 -0.914 1.00 0.00 H new ATOM 0 HD12 LEU A 112 5.353 1.759 -1.623 1.00 0.00 H new ATOM 0 HD13 LEU A 112 6.186 0.832 -0.353 1.00 0.00 H new ATOM 0 HD21 LEU A 112 3.690 0.349 1.331 1.00 0.00 H new ATOM 0 HD22 LEU A 112 5.283 0.819 1.968 1.00 0.00 H new ATOM 0 HD23 LEU A 112 3.844 1.785 2.371 1.00 0.00 H new ATOM 1749 N SER A 113 6.322 6.265 1.238 1.00 0.00 N ATOM 1750 CA SER A 113 7.225 7.382 1.573 1.00 0.00 C ATOM 1751 C SER A 113 7.149 8.520 0.541 1.00 0.00 C ATOM 1752 O SER A 113 6.514 8.371 -0.505 1.00 0.00 O ATOM 1753 CB SER A 113 8.670 6.869 1.672 1.00 0.00 C ATOM 1754 OG SER A 113 9.450 7.773 2.440 1.00 0.00 O ATOM 0 H SER A 113 6.034 6.263 0.260 1.00 0.00 H new ATOM 0 HA SER A 113 6.904 7.787 2.533 1.00 0.00 H new ATOM 0 HB2 SER A 113 8.684 5.881 2.132 1.00 0.00 H new ATOM 0 HB3 SER A 113 9.097 6.763 0.675 1.00 0.00 H new ATOM 0 HG SER A 113 10.370 7.441 2.502 1.00 0.00 H new ATOM 1760 N LEU A 114 7.825 9.641 0.807 1.00 0.00 N ATOM 1761 CA LEU A 114 8.104 10.719 -0.153 1.00 0.00 C ATOM 1762 C LEU A 114 9.631 10.908 -0.289 1.00 0.00 C ATOM 1763 O LEU A 114 10.395 10.589 0.625 1.00 0.00 O ATOM 1764 CB LEU A 114 7.462 12.069 0.258 1.00 0.00 C ATOM 1765 CG LEU A 114 6.232 12.092 1.189 1.00 0.00 C ATOM 1766 CD1 LEU A 114 5.909 13.546 1.542 1.00 0.00 C ATOM 1767 CD2 LEU A 114 4.967 11.486 0.588 1.00 0.00 C ATOM 0 H LEU A 114 8.209 9.832 1.732 1.00 0.00 H new ATOM 0 HA LEU A 114 7.663 10.421 -1.104 1.00 0.00 H new ATOM 0 HB2 LEU A 114 8.240 12.665 0.736 1.00 0.00 H new ATOM 0 HB3 LEU A 114 7.182 12.587 -0.660 1.00 0.00 H new ATOM 0 HG LEU A 114 6.505 11.486 2.053 1.00 0.00 H new ATOM 0 HD11 LEU A 114 5.041 13.576 2.200 1.00 0.00 H new ATOM 0 HD12 LEU A 114 6.763 13.996 2.047 1.00 0.00 H new ATOM 0 HD13 LEU A 114 5.693 14.102 0.630 1.00 0.00 H new ATOM 0 HD21 LEU A 114 4.155 11.546 1.313 1.00 0.00 H new ATOM 0 HD22 LEU A 114 4.692 12.037 -0.311 1.00 0.00 H new ATOM 0 HD23 LEU A 114 5.149 10.442 0.333 1.00 0.00 H new ATOM 1779 N GLU A 115 10.073 11.535 -1.376 1.00 0.00 N ATOM 1780 CA GLU A 115 11.444 12.004 -1.601 1.00 0.00 C ATOM 1781 C GLU A 115 11.437 13.490 -1.985 1.00 0.00 C ATOM 1782 O GLU A 115 10.559 13.952 -2.715 1.00 0.00 O ATOM 1783 CB GLU A 115 12.141 11.187 -2.706 1.00 0.00 C ATOM 1784 CG GLU A 115 12.473 9.734 -2.333 1.00 0.00 C ATOM 1785 CD GLU A 115 11.257 8.784 -2.343 1.00 0.00 C ATOM 1786 OE1 GLU A 115 10.449 8.832 -3.300 1.00 0.00 O ATOM 1787 OE2 GLU A 115 11.144 7.942 -1.419 1.00 0.00 O ATOM 0 H GLU A 115 9.458 11.741 -2.163 1.00 0.00 H new ATOM 0 HA GLU A 115 12.000 11.869 -0.673 1.00 0.00 H new ATOM 0 HB2 GLU A 115 11.503 11.182 -3.590 1.00 0.00 H new ATOM 0 HB3 GLU A 115 13.065 11.695 -2.983 1.00 0.00 H new ATOM 0 HG2 GLU A 115 13.222 9.354 -3.028 1.00 0.00 H new ATOM 0 HG3 GLU A 115 12.923 9.719 -1.340 1.00 0.00 H new ATOM 1794 N MET A 116 12.439 14.243 -1.528 1.00 0.00 N ATOM 1795 CA MET A 116 12.623 15.680 -1.787 1.00 0.00 C ATOM 1796 C MET A 116 14.081 15.984 -2.165 1.00 0.00 C ATOM 1797 O MET A 116 14.995 15.230 -1.825 1.00 0.00 O ATOM 1798 CB MET A 116 12.208 16.492 -0.543 1.00 0.00 C ATOM 1799 CG MET A 116 10.743 16.294 -0.128 1.00 0.00 C ATOM 1800 SD MET A 116 10.303 17.164 1.403 1.00 0.00 S ATOM 1801 CE MET A 116 8.612 16.561 1.646 1.00 0.00 C ATOM 0 H MET A 116 13.178 13.856 -0.942 1.00 0.00 H new ATOM 0 HA MET A 116 11.990 15.968 -2.627 1.00 0.00 H new ATOM 0 HB2 MET A 116 12.852 16.214 0.291 1.00 0.00 H new ATOM 0 HB3 MET A 116 12.380 17.550 -0.739 1.00 0.00 H new ATOM 0 HG2 MET A 116 10.095 16.641 -0.933 1.00 0.00 H new ATOM 0 HG3 MET A 116 10.550 15.229 -0.000 1.00 0.00 H new ATOM 0 HE1 MET A 116 8.252 16.873 2.626 1.00 0.00 H new ATOM 0 HE2 MET A 116 7.964 16.974 0.873 1.00 0.00 H new ATOM 0 HE3 MET A 116 8.601 15.473 1.585 1.00 0.00 H new ATOM 1811 N LEU A 117 14.298 17.111 -2.850 1.00 0.00 N ATOM 1812 CA LEU A 117 15.606 17.568 -3.334 1.00 0.00 C ATOM 1813 C LEU A 117 15.856 19.042 -2.969 1.00 0.00 C ATOM 1814 O LEU A 117 15.411 19.957 -3.667 1.00 0.00 O ATOM 1815 CB LEU A 117 15.718 17.308 -4.851 1.00 0.00 C ATOM 1816 CG LEU A 117 16.049 15.856 -5.246 1.00 0.00 C ATOM 1817 CD1 LEU A 117 16.043 15.743 -6.772 1.00 0.00 C ATOM 1818 CD2 LEU A 117 17.423 15.392 -4.755 1.00 0.00 C ATOM 0 H LEU A 117 13.543 17.753 -3.091 1.00 0.00 H new ATOM 0 HA LEU A 117 16.390 16.997 -2.837 1.00 0.00 H new ATOM 0 HB2 LEU A 117 14.776 17.590 -5.322 1.00 0.00 H new ATOM 0 HB3 LEU A 117 16.487 17.963 -5.260 1.00 0.00 H new ATOM 0 HG LEU A 117 15.293 15.226 -4.778 1.00 0.00 H new ATOM 0 HD11 LEU A 117 16.276 14.718 -7.062 1.00 0.00 H new ATOM 0 HD12 LEU A 117 15.058 16.013 -7.153 1.00 0.00 H new ATOM 0 HD13 LEU A 117 16.790 16.417 -7.190 1.00 0.00 H new ATOM 0 HD21 LEU A 117 17.592 14.361 -5.067 1.00 0.00 H new ATOM 0 HD22 LEU A 117 18.196 16.032 -5.180 1.00 0.00 H new ATOM 0 HD23 LEU A 117 17.460 15.452 -3.667 1.00 0.00 H new