USER MOD reduce.3.24.130724 H: found=0, std=0, add=850, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 848 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 86 TYR OH : rot 150:sc= 0.993 USER MOD Set 1.2: A 90 HIS : no HE2:sc= 1.16 K(o=2.2,f=-8.6!) USER MOD Set 2.1: A 75 THR OG1 : rot 118:sc= 0.525 USER MOD Set 2.2: A 87 TYR OH : rot 150:sc= 0.363 USER MOD Set 3.1: A 55 ASN : amide:sc= -1.15! K(o=-2.2!,f=-3.8) USER MOD Set 3.2: A 57 LYS NZ :NH3+ 171:sc= -1.09! (180deg=-1.89!) USER MOD Set 4.1: A 42 CYS SG : rot 21:sc= 1.13 USER MOD Set 4.2: A 44 SER OG : rot -21:sc= 1.13 USER MOD Set 5.1: A 28 THR OG1 : rot 79:sc= 0.528 USER MOD Set 5.2: A 100 ASN : amide:sc= 0.819 K(o=1.3,f=-1.5!) USER MOD Single : A 1 GLN : amide:sc= -1.53 K(o=-1.5,f=-7!) USER MOD Single : A 1 GLN N :NH3+ 173:sc= 0.316 (180deg=0.297) USER MOD Single : A 6 TYR OH : rot -12:sc= 0.281 USER MOD Single : A 9 LYS NZ :NH3+ -160:sc= -0.0308 (180deg=-0.262) USER MOD Single : A 11 THR OG1 : rot -79:sc= 1.16 USER MOD Single : A 15 SER OG : rot 75:sc= 0.359 USER MOD Single : A 21 ASN : amide:sc= -5.92! C(o=-5.9!,f=-2.7!) USER MOD Single : A 24 ASN : amide:sc= 1.29 K(o=1.3,f=-1.2) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 17:sc= 0.55 USER MOD Single : A 37 THR OG1 : rot 180:sc=-0.00237 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 141:sc= 0.763 USER MOD Single : A 50 ASN : amide:sc= -1.63! K(o=-1.6!,f=-0.029) USER MOD Single : A 52 LYS NZ :NH3+ 161:sc= 1.09 (180deg=0.232) USER MOD Single : A 58 HIS : no HD1:sc= 1.01 K(o=1,f=-6!) USER MOD Single : A 59 TYR OH : rot 180:sc= -0.0909 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0336) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot -130:sc= 0.367 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0245 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0.569 K(o=0.57,f=-0.016) USER MOD Single : A 78 SER OG : rot -83:sc= 0.0696 USER MOD Single : A 79 SER OG : rot 180:sc=-7.7e-05 USER MOD Single : A 81 GLN : amide:sc= -0.247 X(o=-0.25,f=-0.25) USER MOD Single : A 82 GLN : amide:sc= -1.37 K(o=-1.4,f=-2.4) USER MOD Single : A 88 SER OG : rot 37:sc= 1.28 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 CYS SG : rot 180:sc= 0 USER MOD Single : A 96 HIS : no HD1:sc= -0.0454 K(o=-0.045,f=-1.4) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 CYS SG : rot -58:sc= -0.436 USER MOD Single : A 104 THR OG1 : rot -60:sc= -2.07! USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 163:sc= -0.0915 (180deg=-0.418) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 7.776 -6.104 -14.330 1.00 0.00 N ATOM 2 CA GLN A 1 7.977 -7.132 -13.281 1.00 0.00 C ATOM 3 C GLN A 1 8.392 -6.462 -11.984 1.00 0.00 C ATOM 4 O GLN A 1 9.093 -7.046 -11.155 1.00 0.00 O ATOM 5 CB GLN A 1 9.045 -8.139 -13.715 1.00 0.00 C ATOM 6 CG GLN A 1 8.797 -8.760 -15.081 1.00 0.00 C ATOM 7 CD GLN A 1 7.518 -9.576 -15.147 1.00 0.00 C ATOM 8 OE1 GLN A 1 6.538 -9.288 -14.461 1.00 0.00 O ATOM 9 NE2 GLN A 1 7.520 -10.599 -15.979 1.00 0.00 N ATOM 0 H1 GLN A 1 7.608 -6.570 -15.245 1.00 0.00 H new ATOM 0 H2 GLN A 1 6.955 -5.515 -14.086 1.00 0.00 H new ATOM 0 H3 GLN A 1 8.624 -5.506 -14.397 1.00 0.00 H new ATOM 0 HA GLN A 1 7.040 -7.667 -13.128 1.00 0.00 H new ATOM 0 HB2 GLN A 1 10.015 -7.642 -13.725 1.00 0.00 H new ATOM 0 HB3 GLN A 1 9.102 -8.934 -12.972 1.00 0.00 H new ATOM 0 HG2 GLN A 1 8.754 -7.969 -15.830 1.00 0.00 H new ATOM 0 HG3 GLN A 1 9.641 -9.399 -15.341 1.00 0.00 H new ATOM 0 HE21 GLN A 1 8.352 -10.806 -16.531 1.00 0.00 H new ATOM 0 HE22 GLN A 1 6.689 -11.183 -16.071 1.00 0.00 H new ATOM 20 N ALA A 2 7.917 -5.242 -11.825 1.00 0.00 N ATOM 21 CA ALA A 2 8.294 -4.363 -10.727 1.00 0.00 C ATOM 22 C ALA A 2 7.604 -3.029 -10.932 1.00 0.00 C ATOM 23 O ALA A 2 8.236 -1.968 -10.939 1.00 0.00 O ATOM 24 CB ALA A 2 9.803 -4.178 -10.661 1.00 0.00 C ATOM 0 H ALA A 2 7.244 -4.822 -12.467 1.00 0.00 H new ATOM 0 HA ALA A 2 7.984 -4.808 -9.781 1.00 0.00 H new ATOM 0 HB1 ALA A 2 10.053 -3.517 -9.831 1.00 0.00 H new ATOM 0 HB2 ALA A 2 10.282 -5.146 -10.511 1.00 0.00 H new ATOM 0 HB3 ALA A 2 10.157 -3.739 -11.594 1.00 0.00 H new ATOM 30 N GLU A 3 6.305 -3.112 -11.148 1.00 0.00 N ATOM 31 CA GLU A 3 5.494 -1.952 -11.462 1.00 0.00 C ATOM 32 C GLU A 3 5.516 -0.953 -10.308 1.00 0.00 C ATOM 33 O GLU A 3 5.717 -1.337 -9.159 1.00 0.00 O ATOM 34 CB GLU A 3 4.062 -2.390 -11.800 1.00 0.00 C ATOM 35 CG GLU A 3 3.933 -3.163 -13.120 1.00 0.00 C ATOM 36 CD GLU A 3 4.557 -4.557 -13.095 1.00 0.00 C ATOM 37 OE1 GLU A 3 5.768 -4.687 -13.393 1.00 0.00 O ATOM 38 OE2 GLU A 3 3.841 -5.535 -12.790 1.00 0.00 O ATOM 0 H GLU A 3 5.782 -3.987 -11.111 1.00 0.00 H new ATOM 0 HA GLU A 3 5.911 -1.451 -12.336 1.00 0.00 H new ATOM 0 HB2 GLU A 3 3.684 -3.013 -10.989 1.00 0.00 H new ATOM 0 HB3 GLU A 3 3.426 -1.506 -11.846 1.00 0.00 H new ATOM 0 HG2 GLU A 3 2.877 -3.255 -13.372 1.00 0.00 H new ATOM 0 HG3 GLU A 3 4.401 -2.582 -13.915 1.00 0.00 H new ATOM 45 N GLU A 4 5.303 0.324 -10.632 1.00 0.00 N ATOM 46 CA GLU A 4 5.502 1.429 -9.687 1.00 0.00 C ATOM 47 C GLU A 4 4.912 1.144 -8.307 1.00 0.00 C ATOM 48 O GLU A 4 5.578 1.339 -7.297 1.00 0.00 O ATOM 49 CB GLU A 4 4.900 2.718 -10.240 1.00 0.00 C ATOM 50 CG GLU A 4 5.541 3.184 -11.538 1.00 0.00 C ATOM 51 CD GLU A 4 5.039 4.542 -11.980 1.00 0.00 C ATOM 52 OE1 GLU A 4 3.983 4.607 -12.642 1.00 0.00 O ATOM 53 OE2 GLU A 4 5.708 5.556 -11.678 1.00 0.00 O ATOM 0 H GLU A 4 4.988 0.623 -11.555 1.00 0.00 H new ATOM 0 HA GLU A 4 6.579 1.541 -9.566 1.00 0.00 H new ATOM 0 HB2 GLU A 4 3.833 2.569 -10.405 1.00 0.00 H new ATOM 0 HB3 GLU A 4 5.000 3.505 -9.493 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.623 3.224 -11.411 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.339 2.453 -12.321 1.00 0.00 H new ATOM 60 N TRP A 5 3.669 0.686 -8.272 1.00 0.00 N ATOM 61 CA TRP A 5 2.996 0.406 -7.010 1.00 0.00 C ATOM 62 C TRP A 5 3.389 -0.965 -6.459 1.00 0.00 C ATOM 63 O TRP A 5 3.656 -1.109 -5.265 1.00 0.00 O ATOM 64 CB TRP A 5 1.471 0.514 -7.179 1.00 0.00 C ATOM 65 CG TRP A 5 0.950 -0.075 -8.461 1.00 0.00 C ATOM 66 CD1 TRP A 5 0.974 0.516 -9.692 1.00 0.00 C ATOM 67 CD2 TRP A 5 0.314 -1.348 -8.642 1.00 0.00 C ATOM 68 NE1 TRP A 5 0.413 -0.315 -10.627 1.00 0.00 N ATOM 69 CE2 TRP A 5 -0.001 -1.463 -10.010 1.00 0.00 C ATOM 70 CE3 TRP A 5 -0.010 -2.406 -7.791 1.00 0.00 C ATOM 71 CZ2 TRP A 5 -0.630 -2.586 -10.539 1.00 0.00 C ATOM 72 CZ3 TRP A 5 -0.635 -3.520 -8.316 1.00 0.00 C ATOM 73 CH2 TRP A 5 -0.936 -3.605 -9.680 1.00 0.00 C ATOM 0 H TRP A 5 3.106 0.500 -9.102 1.00 0.00 H new ATOM 0 HA TRP A 5 3.317 1.154 -6.285 1.00 0.00 H new ATOM 0 HB2 TRP A 5 0.987 0.014 -6.340 1.00 0.00 H new ATOM 0 HB3 TRP A 5 1.185 1.565 -7.132 1.00 0.00 H new ATOM 0 HD1 TRP A 5 1.377 1.496 -9.899 1.00 0.00 H new ATOM 0 HE1 TRP A 5 0.320 -0.110 -11.622 1.00 0.00 H new ATOM 0 HE3 TRP A 5 0.225 -2.354 -6.738 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -0.868 -2.650 -11.590 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -0.896 -4.340 -7.663 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -1.419 -4.492 -10.062 1.00 0.00 H new ATOM 84 N TYR A 6 3.442 -1.955 -7.336 1.00 0.00 N ATOM 85 CA TYR A 6 3.725 -3.331 -6.945 1.00 0.00 C ATOM 86 C TYR A 6 5.234 -3.566 -6.881 1.00 0.00 C ATOM 87 O TYR A 6 5.846 -3.997 -7.858 1.00 0.00 O ATOM 88 CB TYR A 6 3.074 -4.281 -7.955 1.00 0.00 C ATOM 89 CG TYR A 6 2.852 -5.698 -7.465 1.00 0.00 C ATOM 90 CD1 TYR A 6 3.907 -6.496 -7.047 1.00 0.00 C ATOM 91 CD2 TYR A 6 1.579 -6.250 -7.469 1.00 0.00 C ATOM 92 CE1 TYR A 6 3.701 -7.803 -6.645 1.00 0.00 C ATOM 93 CE2 TYR A 6 1.361 -7.549 -7.060 1.00 0.00 C ATOM 94 CZ TYR A 6 2.426 -8.323 -6.655 1.00 0.00 C ATOM 95 OH TYR A 6 2.208 -9.625 -6.265 1.00 0.00 O ATOM 0 H TYR A 6 3.291 -1.830 -8.337 1.00 0.00 H new ATOM 0 HA TYR A 6 3.313 -3.521 -5.954 1.00 0.00 H new ATOM 0 HB2 TYR A 6 2.113 -3.863 -8.254 1.00 0.00 H new ATOM 0 HB3 TYR A 6 3.697 -4.317 -8.848 1.00 0.00 H new ATOM 0 HD1 TYR A 6 4.907 -6.089 -7.035 1.00 0.00 H new ATOM 0 HD2 TYR A 6 0.743 -5.651 -7.799 1.00 0.00 H new ATOM 0 HE1 TYR A 6 4.534 -8.412 -6.326 1.00 0.00 H new ATOM 0 HE2 TYR A 6 0.361 -7.957 -7.057 1.00 0.00 H new ATOM 0 HH TYR A 6 3.066 -10.094 -6.197 1.00 0.00 H new ATOM 105 N PHE A 7 5.820 -3.279 -5.727 1.00 0.00 N ATOM 106 CA PHE A 7 7.264 -3.423 -5.533 1.00 0.00 C ATOM 107 C PHE A 7 7.701 -4.887 -5.584 1.00 0.00 C ATOM 108 O PHE A 7 8.737 -5.221 -6.160 1.00 0.00 O ATOM 109 CB PHE A 7 7.685 -2.809 -4.194 1.00 0.00 C ATOM 110 CG PHE A 7 7.928 -1.328 -4.252 1.00 0.00 C ATOM 111 CD1 PHE A 7 6.931 -0.455 -4.658 1.00 0.00 C ATOM 112 CD2 PHE A 7 9.162 -0.808 -3.896 1.00 0.00 C ATOM 113 CE1 PHE A 7 7.163 0.905 -4.708 1.00 0.00 C ATOM 114 CE2 PHE A 7 9.398 0.550 -3.945 1.00 0.00 C ATOM 115 CZ PHE A 7 8.396 1.408 -4.351 1.00 0.00 C ATOM 0 H PHE A 7 5.319 -2.943 -4.905 1.00 0.00 H new ATOM 0 HA PHE A 7 7.755 -2.894 -6.350 1.00 0.00 H new ATOM 0 HB2 PHE A 7 6.911 -3.011 -3.454 1.00 0.00 H new ATOM 0 HB3 PHE A 7 8.593 -3.303 -3.849 1.00 0.00 H new ATOM 0 HD1 PHE A 7 5.963 -0.843 -4.938 1.00 0.00 H new ATOM 0 HD2 PHE A 7 9.949 -1.475 -3.576 1.00 0.00 H new ATOM 0 HE1 PHE A 7 6.378 1.575 -5.027 1.00 0.00 H new ATOM 0 HE2 PHE A 7 10.365 0.941 -3.666 1.00 0.00 H new ATOM 0 HZ PHE A 7 8.578 2.472 -4.389 1.00 0.00 H new ATOM 125 N GLY A 8 6.910 -5.755 -4.971 1.00 0.00 N ATOM 126 CA GLY A 8 7.250 -7.163 -4.924 1.00 0.00 C ATOM 127 C GLY A 8 7.275 -7.687 -3.504 1.00 0.00 C ATOM 128 O GLY A 8 6.780 -7.027 -2.592 1.00 0.00 O ATOM 0 H GLY A 8 6.037 -5.509 -4.504 1.00 0.00 H new ATOM 0 HA2 GLY A 8 6.527 -7.731 -5.509 1.00 0.00 H new ATOM 0 HA3 GLY A 8 8.225 -7.317 -5.386 1.00 0.00 H new ATOM 132 N LYS A 9 7.850 -8.864 -3.304 1.00 0.00 N ATOM 133 CA LYS A 9 7.881 -9.479 -1.981 1.00 0.00 C ATOM 134 C LYS A 9 9.049 -8.960 -1.148 1.00 0.00 C ATOM 135 O LYS A 9 10.046 -9.651 -0.937 1.00 0.00 O ATOM 136 CB LYS A 9 7.917 -11.010 -2.072 1.00 0.00 C ATOM 137 CG LYS A 9 8.807 -11.556 -3.176 1.00 0.00 C ATOM 138 CD LYS A 9 8.913 -13.069 -3.096 1.00 0.00 C ATOM 139 CE LYS A 9 9.330 -13.667 -4.428 1.00 0.00 C ATOM 140 NZ LYS A 9 8.243 -13.572 -5.437 1.00 0.00 N ATOM 0 H LYS A 9 8.300 -9.412 -4.037 1.00 0.00 H new ATOM 0 HA LYS A 9 6.958 -9.195 -1.476 1.00 0.00 H new ATOM 0 HB2 LYS A 9 8.258 -11.410 -1.117 1.00 0.00 H new ATOM 0 HB3 LYS A 9 6.902 -11.376 -2.227 1.00 0.00 H new ATOM 0 HG2 LYS A 9 8.405 -11.268 -4.147 1.00 0.00 H new ATOM 0 HG3 LYS A 9 9.800 -11.114 -3.098 1.00 0.00 H new ATOM 0 HD2 LYS A 9 9.637 -13.344 -2.329 1.00 0.00 H new ATOM 0 HD3 LYS A 9 7.953 -13.487 -2.793 1.00 0.00 H new ATOM 0 HE2 LYS A 9 10.216 -13.150 -4.798 1.00 0.00 H new ATOM 0 HE3 LYS A 9 9.606 -14.712 -4.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 8.413 -14.263 -6.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 7.329 -13.774 -4.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 8.225 -12.613 -5.839 1.00 0.00 H new ATOM 154 N ILE A 10 8.914 -7.729 -0.687 1.00 0.00 N ATOM 155 CA ILE A 10 9.895 -7.126 0.202 1.00 0.00 C ATOM 156 C ILE A 10 9.468 -7.315 1.655 1.00 0.00 C ATOM 157 O ILE A 10 8.275 -7.312 1.965 1.00 0.00 O ATOM 158 CB ILE A 10 10.074 -5.622 -0.100 1.00 0.00 C ATOM 159 CG1 ILE A 10 8.729 -4.889 -0.015 1.00 0.00 C ATOM 160 CG2 ILE A 10 10.704 -5.429 -1.473 1.00 0.00 C ATOM 161 CD1 ILE A 10 8.817 -3.411 -0.339 1.00 0.00 C ATOM 0 H ILE A 10 8.127 -7.121 -0.916 1.00 0.00 H new ATOM 0 HA ILE A 10 10.851 -7.623 0.036 1.00 0.00 H new ATOM 0 HB ILE A 10 10.741 -5.196 0.650 1.00 0.00 H new ATOM 0 HG12 ILE A 10 8.025 -5.361 -0.700 1.00 0.00 H new ATOM 0 HG13 ILE A 10 8.324 -5.008 0.990 1.00 0.00 H new ATOM 0 HG21 ILE A 10 10.824 -4.364 -1.672 1.00 0.00 H new ATOM 0 HG22 ILE A 10 11.679 -5.915 -1.497 1.00 0.00 H new ATOM 0 HG23 ILE A 10 10.060 -5.870 -2.234 1.00 0.00 H new ATOM 0 HD11 ILE A 10 7.827 -2.961 -0.258 1.00 0.00 H new ATOM 0 HD12 ILE A 10 9.495 -2.925 0.362 1.00 0.00 H new ATOM 0 HD13 ILE A 10 9.192 -3.283 -1.355 1.00 0.00 H new ATOM 173 N THR A 11 10.438 -7.505 2.539 1.00 0.00 N ATOM 174 CA THR A 11 10.154 -7.737 3.949 1.00 0.00 C ATOM 175 C THR A 11 9.960 -6.421 4.698 1.00 0.00 C ATOM 176 O THR A 11 10.097 -5.345 4.109 1.00 0.00 O ATOM 177 CB THR A 11 11.282 -8.546 4.619 1.00 0.00 C ATOM 178 OG1 THR A 11 12.550 -7.908 4.399 1.00 0.00 O ATOM 179 CG2 THR A 11 11.325 -9.969 4.078 1.00 0.00 C ATOM 0 H THR A 11 11.431 -7.503 2.304 1.00 0.00 H new ATOM 0 HA THR A 11 9.229 -8.311 3.998 1.00 0.00 H new ATOM 0 HB THR A 11 11.079 -8.585 5.689 1.00 0.00 H new ATOM 0 HG1 THR A 11 12.870 -8.118 3.497 1.00 0.00 H new ATOM 0 HG21 THR A 11 12.129 -10.520 4.566 1.00 0.00 H new ATOM 0 HG22 THR A 11 10.374 -10.463 4.277 1.00 0.00 H new ATOM 0 HG23 THR A 11 11.503 -9.944 3.003 1.00 0.00 H new ATOM 187 N ARG A 12 9.644 -6.501 5.988 1.00 0.00 N ATOM 188 CA ARG A 12 9.440 -5.305 6.805 1.00 0.00 C ATOM 189 C ARG A 12 10.656 -4.391 6.768 1.00 0.00 C ATOM 190 O ARG A 12 10.529 -3.197 6.509 1.00 0.00 O ATOM 191 CB ARG A 12 9.135 -5.666 8.256 1.00 0.00 C ATOM 192 CG ARG A 12 7.714 -6.143 8.494 1.00 0.00 C ATOM 193 CD ARG A 12 7.362 -6.093 9.973 1.00 0.00 C ATOM 194 NE ARG A 12 7.502 -4.737 10.519 1.00 0.00 N ATOM 195 CZ ARG A 12 6.896 -4.304 11.625 1.00 0.00 C ATOM 196 NH1 ARG A 12 6.177 -5.136 12.367 1.00 0.00 N ATOM 197 NH2 ARG A 12 7.046 -3.038 12.010 1.00 0.00 N ATOM 0 H ARG A 12 9.523 -7.380 6.491 1.00 0.00 H new ATOM 0 HA ARG A 12 8.585 -4.780 6.379 1.00 0.00 H new ATOM 0 HB2 ARG A 12 9.826 -6.445 8.578 1.00 0.00 H new ATOM 0 HB3 ARG A 12 9.323 -4.794 8.883 1.00 0.00 H new ATOM 0 HG2 ARG A 12 7.019 -5.521 7.930 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.602 -7.162 8.124 1.00 0.00 H new ATOM 0 HD2 ARG A 12 6.338 -6.439 10.115 1.00 0.00 H new ATOM 0 HD3 ARG A 12 8.008 -6.776 10.524 1.00 0.00 H new ATOM 0 HE ARG A 12 8.103 -4.082 10.019 1.00 0.00 H new ATOM 0 HH11 ARG A 12 6.085 -6.114 12.093 1.00 0.00 H new ATOM 0 HH12 ARG A 12 5.716 -4.798 13.212 1.00 0.00 H new ATOM 0 HH21 ARG A 12 7.623 -2.402 11.459 1.00 0.00 H new ATOM 0 HH22 ARG A 12 6.584 -2.704 12.856 1.00 0.00 H new ATOM 211 N ARG A 13 11.831 -4.969 7.014 1.00 0.00 N ATOM 212 CA ARG A 13 13.083 -4.215 7.042 1.00 0.00 C ATOM 213 C ARG A 13 13.268 -3.396 5.766 1.00 0.00 C ATOM 214 O ARG A 13 13.756 -2.266 5.806 1.00 0.00 O ATOM 215 CB ARG A 13 14.261 -5.174 7.215 1.00 0.00 C ATOM 216 CG ARG A 13 14.259 -5.908 8.546 1.00 0.00 C ATOM 217 CD ARG A 13 15.258 -7.053 8.557 1.00 0.00 C ATOM 218 NE ARG A 13 16.636 -6.592 8.386 1.00 0.00 N ATOM 219 CZ ARG A 13 17.511 -7.164 7.561 1.00 0.00 C ATOM 220 NH1 ARG A 13 17.122 -8.129 6.739 1.00 0.00 N ATOM 221 NH2 ARG A 13 18.772 -6.749 7.539 1.00 0.00 N ATOM 0 H ARG A 13 11.942 -5.966 7.198 1.00 0.00 H new ATOM 0 HA ARG A 13 13.043 -3.525 7.885 1.00 0.00 H new ATOM 0 HB2 ARG A 13 14.245 -5.905 6.407 1.00 0.00 H new ATOM 0 HB3 ARG A 13 15.191 -4.614 7.120 1.00 0.00 H new ATOM 0 HG2 ARG A 13 14.498 -5.209 9.348 1.00 0.00 H new ATOM 0 HG3 ARG A 13 13.260 -6.295 8.747 1.00 0.00 H new ATOM 0 HD2 ARG A 13 15.174 -7.596 9.498 1.00 0.00 H new ATOM 0 HD3 ARG A 13 15.011 -7.755 7.760 1.00 0.00 H new ATOM 0 HE ARG A 13 16.944 -5.786 8.930 1.00 0.00 H new ATOM 0 HH11 ARG A 13 16.149 -8.436 6.737 1.00 0.00 H new ATOM 0 HH12 ARG A 13 17.795 -8.564 6.109 1.00 0.00 H new ATOM 0 HH21 ARG A 13 19.071 -5.992 8.154 1.00 0.00 H new ATOM 0 HH22 ARG A 13 19.442 -7.187 6.907 1.00 0.00 H new ATOM 235 N GLU A 14 12.857 -3.971 4.646 1.00 0.00 N ATOM 236 CA GLU A 14 12.987 -3.321 3.350 1.00 0.00 C ATOM 237 C GLU A 14 11.877 -2.289 3.152 1.00 0.00 C ATOM 238 O GLU A 14 12.138 -1.146 2.772 1.00 0.00 O ATOM 239 CB GLU A 14 12.941 -4.374 2.243 1.00 0.00 C ATOM 240 CG GLU A 14 14.013 -5.443 2.394 1.00 0.00 C ATOM 241 CD GLU A 14 13.790 -6.633 1.485 1.00 0.00 C ATOM 242 OE1 GLU A 14 13.014 -7.531 1.867 1.00 0.00 O ATOM 243 OE2 GLU A 14 14.394 -6.680 0.396 1.00 0.00 O ATOM 0 H GLU A 14 12.427 -4.895 4.609 1.00 0.00 H new ATOM 0 HA GLU A 14 13.944 -2.800 3.309 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.960 -4.849 2.242 1.00 0.00 H new ATOM 0 HB3 GLU A 14 13.059 -3.883 1.277 1.00 0.00 H new ATOM 0 HG2 GLU A 14 14.988 -5.006 2.179 1.00 0.00 H new ATOM 0 HG3 GLU A 14 14.037 -5.783 3.429 1.00 0.00 H new ATOM 250 N SER A 15 10.646 -2.697 3.442 1.00 0.00 N ATOM 251 CA SER A 15 9.477 -1.836 3.275 1.00 0.00 C ATOM 252 C SER A 15 9.581 -0.594 4.160 1.00 0.00 C ATOM 253 O SER A 15 9.401 0.534 3.696 1.00 0.00 O ATOM 254 CB SER A 15 8.200 -2.606 3.629 1.00 0.00 C ATOM 255 OG SER A 15 8.120 -3.827 2.915 1.00 0.00 O ATOM 0 H SER A 15 10.429 -3.628 3.798 1.00 0.00 H new ATOM 0 HA SER A 15 9.438 -1.521 2.232 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.179 -2.807 4.700 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.328 -1.992 3.403 1.00 0.00 H new ATOM 0 HG SER A 15 8.746 -4.474 3.302 1.00 0.00 H new ATOM 261 N GLU A 16 9.888 -0.808 5.433 1.00 0.00 N ATOM 262 CA GLU A 16 9.960 0.280 6.393 1.00 0.00 C ATOM 263 C GLU A 16 11.141 1.195 6.093 1.00 0.00 C ATOM 264 O GLU A 16 11.084 2.390 6.358 1.00 0.00 O ATOM 265 CB GLU A 16 10.043 -0.274 7.820 1.00 0.00 C ATOM 266 CG GLU A 16 8.803 -1.058 8.231 1.00 0.00 C ATOM 267 CD GLU A 16 8.918 -1.684 9.607 1.00 0.00 C ATOM 268 OE1 GLU A 16 8.625 -0.996 10.607 1.00 0.00 O ATOM 269 OE2 GLU A 16 9.282 -2.875 9.700 1.00 0.00 O ATOM 0 H GLU A 16 10.091 -1.728 5.823 1.00 0.00 H new ATOM 0 HA GLU A 16 9.051 0.875 6.308 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.917 -0.920 7.902 1.00 0.00 H new ATOM 0 HB3 GLU A 16 10.190 0.552 8.516 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.939 -0.394 8.213 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.618 -1.842 7.497 1.00 0.00 H new ATOM 276 N ARG A 17 12.202 0.633 5.520 1.00 0.00 N ATOM 277 CA ARG A 17 13.365 1.426 5.126 1.00 0.00 C ATOM 278 C ARG A 17 12.974 2.497 4.111 1.00 0.00 C ATOM 279 O ARG A 17 13.271 3.680 4.289 1.00 0.00 O ATOM 280 CB ARG A 17 14.450 0.533 4.518 1.00 0.00 C ATOM 281 CG ARG A 17 15.609 1.322 3.928 1.00 0.00 C ATOM 282 CD ARG A 17 16.531 0.447 3.099 1.00 0.00 C ATOM 283 NE ARG A 17 17.310 -0.476 3.919 1.00 0.00 N ATOM 284 CZ ARG A 17 18.507 -0.944 3.566 1.00 0.00 C ATOM 285 NH1 ARG A 17 19.045 -0.598 2.405 1.00 0.00 N ATOM 286 NH2 ARG A 17 19.164 -1.771 4.367 1.00 0.00 N ATOM 0 H ARG A 17 12.281 -0.364 5.318 1.00 0.00 H new ATOM 0 HA ARG A 17 13.754 1.907 6.024 1.00 0.00 H new ATOM 0 HB2 ARG A 17 14.830 -0.141 5.286 1.00 0.00 H new ATOM 0 HB3 ARG A 17 14.007 -0.088 3.739 1.00 0.00 H new ATOM 0 HG2 ARG A 17 15.219 2.128 3.307 1.00 0.00 H new ATOM 0 HG3 ARG A 17 16.178 1.787 4.733 1.00 0.00 H new ATOM 0 HD2 ARG A 17 15.940 -0.120 2.380 1.00 0.00 H new ATOM 0 HD3 ARG A 17 17.209 1.079 2.525 1.00 0.00 H new ATOM 0 HE ARG A 17 16.917 -0.779 4.810 1.00 0.00 H new ATOM 0 HH11 ARG A 17 18.543 0.029 1.777 1.00 0.00 H new ATOM 0 HH12 ARG A 17 19.961 -0.959 2.140 1.00 0.00 H new ATOM 0 HH21 ARG A 17 18.754 -2.052 5.258 1.00 0.00 H new ATOM 0 HH22 ARG A 17 20.080 -2.127 4.093 1.00 0.00 H new ATOM 300 N LEU A 18 12.302 2.069 3.052 1.00 0.00 N ATOM 301 CA LEU A 18 11.966 2.955 1.944 1.00 0.00 C ATOM 302 C LEU A 18 10.905 3.979 2.347 1.00 0.00 C ATOM 303 O LEU A 18 10.927 5.118 1.883 1.00 0.00 O ATOM 304 CB LEU A 18 11.488 2.135 0.741 1.00 0.00 C ATOM 305 CG LEU A 18 12.488 1.094 0.223 1.00 0.00 C ATOM 306 CD1 LEU A 18 11.862 0.258 -0.886 1.00 0.00 C ATOM 307 CD2 LEU A 18 13.759 1.767 -0.282 1.00 0.00 C ATOM 0 H LEU A 18 11.977 1.109 2.936 1.00 0.00 H new ATOM 0 HA LEU A 18 12.866 3.504 1.667 1.00 0.00 H new ATOM 0 HB2 LEU A 18 10.564 1.624 1.013 1.00 0.00 H new ATOM 0 HB3 LEU A 18 11.246 2.819 -0.072 1.00 0.00 H new ATOM 0 HG LEU A 18 12.751 0.437 1.052 1.00 0.00 H new ATOM 0 HD11 LEU A 18 12.586 -0.475 -1.242 1.00 0.00 H new ATOM 0 HD12 LEU A 18 10.982 -0.258 -0.501 1.00 0.00 H new ATOM 0 HD13 LEU A 18 11.569 0.908 -1.711 1.00 0.00 H new ATOM 0 HD21 LEU A 18 14.453 1.009 -0.644 1.00 0.00 H new ATOM 0 HD22 LEU A 18 13.511 2.450 -1.095 1.00 0.00 H new ATOM 0 HD23 LEU A 18 14.223 2.325 0.531 1.00 0.00 H new ATOM 319 N LEU A 19 9.990 3.582 3.221 1.00 0.00 N ATOM 320 CA LEU A 19 8.911 4.469 3.642 1.00 0.00 C ATOM 321 C LEU A 19 9.374 5.464 4.699 1.00 0.00 C ATOM 322 O LEU A 19 8.888 6.596 4.745 1.00 0.00 O ATOM 323 CB LEU A 19 7.720 3.670 4.167 1.00 0.00 C ATOM 324 CG LEU A 19 6.992 2.826 3.119 1.00 0.00 C ATOM 325 CD1 LEU A 19 5.766 2.171 3.731 1.00 0.00 C ATOM 326 CD2 LEU A 19 6.603 3.681 1.922 1.00 0.00 C ATOM 0 H LEU A 19 9.972 2.657 3.651 1.00 0.00 H new ATOM 0 HA LEU A 19 8.601 5.031 2.761 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.067 3.012 4.964 1.00 0.00 H new ATOM 0 HB3 LEU A 19 7.006 4.362 4.613 1.00 0.00 H new ATOM 0 HG LEU A 19 7.666 2.042 2.773 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.257 1.573 2.975 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.071 1.528 4.557 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.089 2.941 4.101 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.086 3.064 1.187 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.944 4.485 2.248 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.500 4.107 1.472 1.00 0.00 H new ATOM 338 N LEU A 20 10.308 5.050 5.546 1.00 0.00 N ATOM 339 CA LEU A 20 10.857 5.932 6.568 1.00 0.00 C ATOM 340 C LEU A 20 11.936 6.845 5.992 1.00 0.00 C ATOM 341 O LEU A 20 12.638 7.537 6.732 1.00 0.00 O ATOM 342 CB LEU A 20 11.427 5.108 7.720 1.00 0.00 C ATOM 343 CG LEU A 20 10.428 4.712 8.817 1.00 0.00 C ATOM 344 CD1 LEU A 20 9.040 4.461 8.252 1.00 0.00 C ATOM 345 CD2 LEU A 20 10.921 3.472 9.534 1.00 0.00 C ATOM 0 H LEU A 20 10.701 4.109 5.545 1.00 0.00 H new ATOM 0 HA LEU A 20 10.048 6.561 6.941 1.00 0.00 H new ATOM 0 HB2 LEU A 20 11.866 4.199 7.309 1.00 0.00 H new ATOM 0 HB3 LEU A 20 12.238 5.673 8.180 1.00 0.00 H new ATOM 0 HG LEU A 20 10.356 5.543 9.519 1.00 0.00 H new ATOM 0 HD11 LEU A 20 8.363 4.183 9.060 1.00 0.00 H new ATOM 0 HD12 LEU A 20 8.675 5.367 7.768 1.00 0.00 H new ATOM 0 HD13 LEU A 20 9.085 3.652 7.522 1.00 0.00 H new ATOM 0 HD21 LEU A 20 10.209 3.194 10.312 1.00 0.00 H new ATOM 0 HD22 LEU A 20 11.017 2.653 8.821 1.00 0.00 H new ATOM 0 HD23 LEU A 20 11.892 3.675 9.986 1.00 0.00 H new ATOM 357 N ASN A 21 12.077 6.834 4.672 1.00 0.00 N ATOM 358 CA ASN A 21 13.003 7.732 4.000 1.00 0.00 C ATOM 359 C ASN A 21 12.498 9.166 4.148 1.00 0.00 C ATOM 360 O ASN A 21 11.351 9.462 3.813 1.00 0.00 O ATOM 361 CB ASN A 21 13.152 7.348 2.522 1.00 0.00 C ATOM 362 CG ASN A 21 14.326 8.040 1.856 1.00 0.00 C ATOM 363 OD1 ASN A 21 15.453 7.547 1.885 1.00 0.00 O ATOM 364 ND2 ASN A 21 14.074 9.177 1.239 1.00 0.00 N ATOM 0 H ASN A 21 11.562 6.213 4.048 1.00 0.00 H new ATOM 0 HA ASN A 21 13.989 7.651 4.458 1.00 0.00 H new ATOM 0 HB2 ASN A 21 13.278 6.268 2.442 1.00 0.00 H new ATOM 0 HB3 ASN A 21 12.235 7.602 1.990 1.00 0.00 H new ATOM 0 HD21 ASN A 21 14.826 9.678 0.765 1.00 0.00 H new ATOM 0 HD22 ASN A 21 13.127 9.556 1.235 1.00 0.00 H new ATOM 371 N PRO A 22 13.353 10.074 4.647 1.00 0.00 N ATOM 372 CA PRO A 22 12.942 11.421 5.096 1.00 0.00 C ATOM 373 C PRO A 22 12.507 12.384 3.984 1.00 0.00 C ATOM 374 O PRO A 22 12.554 13.601 4.168 1.00 0.00 O ATOM 375 CB PRO A 22 14.202 11.954 5.782 1.00 0.00 C ATOM 376 CG PRO A 22 15.325 11.231 5.128 1.00 0.00 C ATOM 377 CD PRO A 22 14.801 9.856 4.830 1.00 0.00 C ATOM 0 HA PRO A 22 12.055 11.351 5.726 1.00 0.00 H new ATOM 0 HB2 PRO A 22 14.297 13.032 5.653 1.00 0.00 H new ATOM 0 HB3 PRO A 22 14.180 11.762 6.855 1.00 0.00 H new ATOM 0 HG2 PRO A 22 15.638 11.737 4.215 1.00 0.00 H new ATOM 0 HG3 PRO A 22 16.196 11.185 5.782 1.00 0.00 H new ATOM 0 HD2 PRO A 22 15.260 9.436 3.935 1.00 0.00 H new ATOM 0 HD3 PRO A 22 15.003 9.163 5.647 1.00 0.00 H new ATOM 385 N GLU A 23 12.074 11.863 2.848 1.00 0.00 N ATOM 386 CA GLU A 23 11.569 12.713 1.776 1.00 0.00 C ATOM 387 C GLU A 23 10.138 12.317 1.424 1.00 0.00 C ATOM 388 O GLU A 23 9.573 12.775 0.429 1.00 0.00 O ATOM 389 CB GLU A 23 12.468 12.629 0.536 1.00 0.00 C ATOM 390 CG GLU A 23 12.384 11.311 -0.217 1.00 0.00 C ATOM 391 CD GLU A 23 13.182 11.333 -1.508 1.00 0.00 C ATOM 392 OE1 GLU A 23 12.701 11.930 -2.494 1.00 0.00 O ATOM 393 OE2 GLU A 23 14.296 10.762 -1.540 1.00 0.00 O ATOM 0 H GLU A 23 12.061 10.864 2.642 1.00 0.00 H new ATOM 0 HA GLU A 23 11.575 13.745 2.126 1.00 0.00 H new ATOM 0 HB2 GLU A 23 12.204 13.439 -0.144 1.00 0.00 H new ATOM 0 HB3 GLU A 23 13.502 12.793 0.841 1.00 0.00 H new ATOM 0 HG2 GLU A 23 12.751 10.507 0.421 1.00 0.00 H new ATOM 0 HG3 GLU A 23 11.341 11.089 -0.441 1.00 0.00 H new ATOM 400 N ASN A 24 9.558 11.468 2.257 1.00 0.00 N ATOM 401 CA ASN A 24 8.215 10.953 2.011 1.00 0.00 C ATOM 402 C ASN A 24 7.170 11.747 2.780 1.00 0.00 C ATOM 403 O ASN A 24 7.245 11.869 4.004 1.00 0.00 O ATOM 404 CB ASN A 24 8.120 9.477 2.400 1.00 0.00 C ATOM 405 CG ASN A 24 8.990 8.585 1.540 1.00 0.00 C ATOM 406 OD1 ASN A 24 9.250 8.876 0.373 1.00 0.00 O ATOM 407 ND2 ASN A 24 9.450 7.489 2.116 1.00 0.00 N ATOM 0 H ASN A 24 9.994 11.119 3.111 1.00 0.00 H new ATOM 0 HA ASN A 24 8.018 11.057 0.944 1.00 0.00 H new ATOM 0 HB2 ASN A 24 8.411 9.362 3.444 1.00 0.00 H new ATOM 0 HB3 ASN A 24 7.083 9.151 2.320 1.00 0.00 H new ATOM 0 HD21 ASN A 24 10.044 6.848 1.591 1.00 0.00 H new ATOM 0 HD22 ASN A 24 9.211 7.284 3.086 1.00 0.00 H new ATOM 414 N PRO A 25 6.198 12.325 2.065 1.00 0.00 N ATOM 415 CA PRO A 25 5.056 12.992 2.676 1.00 0.00 C ATOM 416 C PRO A 25 3.923 12.013 2.977 1.00 0.00 C ATOM 417 O PRO A 25 3.952 10.857 2.538 1.00 0.00 O ATOM 418 CB PRO A 25 4.632 13.979 1.594 1.00 0.00 C ATOM 419 CG PRO A 25 4.978 13.307 0.309 1.00 0.00 C ATOM 420 CD PRO A 25 6.148 12.399 0.592 1.00 0.00 C ATOM 0 HA PRO A 25 5.298 13.455 3.632 1.00 0.00 H new ATOM 0 HB2 PRO A 25 3.565 14.196 1.652 1.00 0.00 H new ATOM 0 HB3 PRO A 25 5.157 14.929 1.697 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.129 12.737 -0.070 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.235 14.042 -0.454 1.00 0.00 H new ATOM 0 HD2 PRO A 25 6.005 11.414 0.148 1.00 0.00 H new ATOM 0 HD3 PRO A 25 7.074 12.802 0.181 1.00 0.00 H new ATOM 428 N ARG A 26 2.932 12.483 3.725 1.00 0.00 N ATOM 429 CA ARG A 26 1.757 11.692 4.036 1.00 0.00 C ATOM 430 C ARG A 26 1.004 11.329 2.764 1.00 0.00 C ATOM 431 O ARG A 26 0.441 12.197 2.097 1.00 0.00 O ATOM 432 CB ARG A 26 0.853 12.483 4.972 1.00 0.00 C ATOM 433 CG ARG A 26 1.401 12.618 6.382 1.00 0.00 C ATOM 434 CD ARG A 26 0.721 13.751 7.131 1.00 0.00 C ATOM 435 NE ARG A 26 1.056 15.052 6.555 1.00 0.00 N ATOM 436 CZ ARG A 26 0.345 16.162 6.741 1.00 0.00 C ATOM 437 NH1 ARG A 26 -0.786 16.129 7.441 1.00 0.00 N ATOM 438 NH2 ARG A 26 0.759 17.302 6.210 1.00 0.00 N ATOM 0 H ARG A 26 2.924 13.419 4.129 1.00 0.00 H new ATOM 0 HA ARG A 26 2.068 10.768 4.523 1.00 0.00 H new ATOM 0 HB2 ARG A 26 0.696 13.478 4.556 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -0.122 11.999 5.016 1.00 0.00 H new ATOM 0 HG2 ARG A 26 1.255 11.683 6.922 1.00 0.00 H new ATOM 0 HG3 ARG A 26 2.475 12.799 6.341 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -0.359 13.608 7.106 1.00 0.00 H new ATOM 0 HD3 ARG A 26 1.021 13.728 8.179 1.00 0.00 H new ATOM 0 HE ARG A 26 1.890 15.113 5.972 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -1.114 15.249 7.839 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -1.325 16.984 7.579 1.00 0.00 H new ATOM 0 HH21 ARG A 26 1.619 17.327 5.662 1.00 0.00 H new ATOM 0 HH22 ARG A 26 0.218 18.156 6.349 1.00 0.00 H new ATOM 452 N GLY A 27 1.006 10.048 2.430 1.00 0.00 N ATOM 453 CA GLY A 27 0.357 9.603 1.213 1.00 0.00 C ATOM 454 C GLY A 27 1.280 8.786 0.332 1.00 0.00 C ATOM 455 O GLY A 27 0.903 8.387 -0.772 1.00 0.00 O ATOM 0 H GLY A 27 1.445 9.308 2.979 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -0.519 9.007 1.469 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.001 10.470 0.656 1.00 0.00 H new ATOM 459 N THR A 28 2.494 8.554 0.817 1.00 0.00 N ATOM 460 CA THR A 28 3.463 7.722 0.118 1.00 0.00 C ATOM 461 C THR A 28 3.165 6.247 0.370 1.00 0.00 C ATOM 462 O THR A 28 3.201 5.791 1.511 1.00 0.00 O ATOM 463 CB THR A 28 4.896 8.042 0.583 1.00 0.00 C ATOM 464 OG1 THR A 28 5.145 9.448 0.452 1.00 0.00 O ATOM 465 CG2 THR A 28 5.920 7.267 -0.230 1.00 0.00 C ATOM 0 H THR A 28 2.832 8.935 1.701 1.00 0.00 H new ATOM 0 HA THR A 28 3.385 7.933 -0.948 1.00 0.00 H new ATOM 0 HB THR A 28 4.989 7.746 1.628 1.00 0.00 H new ATOM 0 HG1 THR A 28 4.731 9.925 1.201 1.00 0.00 H new ATOM 0 HG21 THR A 28 6.923 7.512 0.119 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.745 6.198 -0.111 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.827 7.535 -1.283 1.00 0.00 H new ATOM 473 N PHE A 29 2.871 5.507 -0.685 1.00 0.00 N ATOM 474 CA PHE A 29 2.428 4.125 -0.536 1.00 0.00 C ATOM 475 C PHE A 29 3.216 3.173 -1.427 1.00 0.00 C ATOM 476 O PHE A 29 3.920 3.601 -2.344 1.00 0.00 O ATOM 477 CB PHE A 29 0.946 4.016 -0.885 1.00 0.00 C ATOM 478 CG PHE A 29 0.657 4.197 -2.352 1.00 0.00 C ATOM 479 CD1 PHE A 29 0.628 5.460 -2.922 1.00 0.00 C ATOM 480 CD2 PHE A 29 0.415 3.097 -3.159 1.00 0.00 C ATOM 481 CE1 PHE A 29 0.364 5.623 -4.268 1.00 0.00 C ATOM 482 CE2 PHE A 29 0.151 3.255 -4.506 1.00 0.00 C ATOM 483 CZ PHE A 29 0.123 4.517 -5.062 1.00 0.00 C ATOM 0 H PHE A 29 2.929 5.834 -1.649 1.00 0.00 H new ATOM 0 HA PHE A 29 2.598 3.840 0.502 1.00 0.00 H new ATOM 0 HB2 PHE A 29 0.578 3.040 -0.568 1.00 0.00 H new ATOM 0 HB3 PHE A 29 0.392 4.765 -0.319 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.814 6.327 -2.306 1.00 0.00 H new ATOM 0 HD2 PHE A 29 0.433 2.106 -2.731 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.346 6.613 -4.700 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.034 2.389 -5.124 1.00 0.00 H new ATOM 0 HZ PHE A 29 -0.087 4.641 -6.114 1.00 0.00 H new ATOM 493 N LEU A 30 3.081 1.881 -1.140 1.00 0.00 N ATOM 494 CA LEU A 30 3.606 0.822 -1.994 1.00 0.00 C ATOM 495 C LEU A 30 2.966 -0.510 -1.599 1.00 0.00 C ATOM 496 O LEU A 30 2.652 -0.729 -0.428 1.00 0.00 O ATOM 497 CB LEU A 30 5.142 0.730 -1.907 1.00 0.00 C ATOM 498 CG LEU A 30 5.727 -0.005 -0.689 1.00 0.00 C ATOM 499 CD1 LEU A 30 7.242 -0.077 -0.794 1.00 0.00 C ATOM 500 CD2 LEU A 30 5.335 0.677 0.606 1.00 0.00 C ATOM 0 H LEU A 30 2.603 1.539 -0.306 1.00 0.00 H new ATOM 0 HA LEU A 30 3.355 1.057 -3.028 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.504 0.235 -2.808 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.544 1.743 -1.917 1.00 0.00 H new ATOM 0 HG LEU A 30 5.317 -1.015 -0.682 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.642 -0.600 0.075 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.519 -0.615 -1.701 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.652 0.932 -0.831 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.764 0.133 1.448 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.710 1.701 0.606 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.249 0.688 0.697 1.00 0.00 H new ATOM 512 N VAL A 31 2.739 -1.382 -2.567 1.00 0.00 N ATOM 513 CA VAL A 31 2.159 -2.686 -2.279 1.00 0.00 C ATOM 514 C VAL A 31 3.197 -3.789 -2.430 1.00 0.00 C ATOM 515 O VAL A 31 3.846 -3.921 -3.471 1.00 0.00 O ATOM 516 CB VAL A 31 0.908 -2.980 -3.151 1.00 0.00 C ATOM 517 CG1 VAL A 31 1.001 -2.302 -4.498 1.00 0.00 C ATOM 518 CG2 VAL A 31 0.691 -4.481 -3.332 1.00 0.00 C ATOM 0 H VAL A 31 2.945 -1.214 -3.552 1.00 0.00 H new ATOM 0 HA VAL A 31 1.827 -2.664 -1.241 1.00 0.00 H new ATOM 0 HB VAL A 31 0.049 -2.571 -2.619 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.109 -2.529 -5.082 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.078 -1.224 -4.358 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.883 -2.663 -5.027 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.193 -4.649 -3.947 1.00 0.00 H new ATOM 0 HG22 VAL A 31 1.562 -4.918 -3.821 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.549 -4.948 -2.358 1.00 0.00 H new ATOM 528 N ARG A 32 3.364 -4.561 -1.367 1.00 0.00 N ATOM 529 CA ARG A 32 4.305 -5.664 -1.369 1.00 0.00 C ATOM 530 C ARG A 32 3.567 -6.986 -1.547 1.00 0.00 C ATOM 531 O ARG A 32 2.368 -7.083 -1.267 1.00 0.00 O ATOM 532 CB ARG A 32 5.104 -5.694 -0.061 1.00 0.00 C ATOM 533 CG ARG A 32 4.393 -6.415 1.077 1.00 0.00 C ATOM 534 CD ARG A 32 5.190 -6.362 2.368 1.00 0.00 C ATOM 535 NE ARG A 32 5.007 -5.096 3.068 1.00 0.00 N ATOM 536 CZ ARG A 32 4.804 -4.998 4.383 1.00 0.00 C ATOM 537 NH1 ARG A 32 4.820 -6.087 5.144 1.00 0.00 N ATOM 538 NH2 ARG A 32 4.582 -3.813 4.930 1.00 0.00 N ATOM 0 H ARG A 32 2.857 -4.441 -0.490 1.00 0.00 H new ATOM 0 HA ARG A 32 4.995 -5.522 -2.201 1.00 0.00 H new ATOM 0 HB2 ARG A 32 6.063 -6.179 -0.243 1.00 0.00 H new ATOM 0 HB3 ARG A 32 5.318 -4.670 0.247 1.00 0.00 H new ATOM 0 HG2 ARG A 32 3.414 -5.964 1.237 1.00 0.00 H new ATOM 0 HG3 ARG A 32 4.223 -7.455 0.798 1.00 0.00 H new ATOM 0 HD2 ARG A 32 4.885 -7.183 3.017 1.00 0.00 H new ATOM 0 HD3 ARG A 32 6.248 -6.506 2.148 1.00 0.00 H new ATOM 0 HE ARG A 32 5.036 -4.236 2.521 1.00 0.00 H new ATOM 0 HH11 ARG A 32 4.988 -7.001 4.723 1.00 0.00 H new ATOM 0 HH12 ARG A 32 4.665 -6.009 6.149 1.00 0.00 H new ATOM 0 HH21 ARG A 32 4.566 -2.977 4.346 1.00 0.00 H new ATOM 0 HH22 ARG A 32 4.427 -3.736 5.935 1.00 0.00 H new ATOM 552 N GLU A 33 4.287 -7.993 -2.004 1.00 0.00 N ATOM 553 CA GLU A 33 3.743 -9.331 -2.132 1.00 0.00 C ATOM 554 C GLU A 33 4.016 -10.098 -0.844 1.00 0.00 C ATOM 555 O GLU A 33 5.136 -10.545 -0.606 1.00 0.00 O ATOM 556 CB GLU A 33 4.382 -10.039 -3.328 1.00 0.00 C ATOM 557 CG GLU A 33 3.736 -11.364 -3.688 1.00 0.00 C ATOM 558 CD GLU A 33 4.388 -12.000 -4.897 1.00 0.00 C ATOM 559 OE1 GLU A 33 4.475 -11.328 -5.949 1.00 0.00 O ATOM 560 OE2 GLU A 33 4.836 -13.158 -4.799 1.00 0.00 O ATOM 0 H GLU A 33 5.261 -7.907 -2.296 1.00 0.00 H new ATOM 0 HA GLU A 33 2.667 -9.283 -2.300 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.335 -9.378 -4.194 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.437 -10.209 -3.113 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.805 -12.044 -2.839 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.676 -11.209 -3.887 1.00 0.00 H new ATOM 567 N SER A 34 3.005 -10.213 -0.001 1.00 0.00 N ATOM 568 CA SER A 34 3.177 -10.840 1.295 1.00 0.00 C ATOM 569 C SER A 34 3.305 -12.349 1.153 1.00 0.00 C ATOM 570 O SER A 34 2.352 -13.037 0.780 1.00 0.00 O ATOM 571 CB SER A 34 2.009 -10.490 2.217 1.00 0.00 C ATOM 572 OG SER A 34 2.188 -11.034 3.515 1.00 0.00 O ATOM 0 H SER A 34 2.059 -9.881 -0.191 1.00 0.00 H new ATOM 0 HA SER A 34 4.097 -10.459 1.738 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.911 -9.407 2.286 1.00 0.00 H new ATOM 0 HB3 SER A 34 1.081 -10.867 1.788 1.00 0.00 H new ATOM 0 HG SER A 34 1.425 -10.791 4.080 1.00 0.00 H new ATOM 578 N GLU A 35 4.493 -12.852 1.442 1.00 0.00 N ATOM 579 CA GLU A 35 4.738 -14.285 1.449 1.00 0.00 C ATOM 580 C GLU A 35 4.216 -14.886 2.749 1.00 0.00 C ATOM 581 O GLU A 35 4.078 -16.102 2.880 1.00 0.00 O ATOM 582 CB GLU A 35 6.235 -14.588 1.290 1.00 0.00 C ATOM 583 CG GLU A 35 7.086 -14.263 2.517 1.00 0.00 C ATOM 584 CD GLU A 35 7.080 -12.794 2.887 1.00 0.00 C ATOM 585 OE1 GLU A 35 7.889 -12.030 2.326 1.00 0.00 O ATOM 586 OE2 GLU A 35 6.256 -12.396 3.739 1.00 0.00 O ATOM 0 H GLU A 35 5.308 -12.285 1.676 1.00 0.00 H new ATOM 0 HA GLU A 35 4.212 -14.732 0.605 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.355 -15.645 1.051 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.618 -14.024 0.439 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.723 -14.844 3.365 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.113 -14.578 2.331 1.00 0.00 H new ATOM 593 N THR A 36 3.933 -14.011 3.708 1.00 0.00 N ATOM 594 CA THR A 36 3.423 -14.405 5.002 1.00 0.00 C ATOM 595 C THR A 36 2.040 -15.047 4.869 1.00 0.00 C ATOM 596 O THR A 36 1.704 -15.991 5.589 1.00 0.00 O ATOM 597 CB THR A 36 3.333 -13.175 5.924 1.00 0.00 C ATOM 598 OG1 THR A 36 4.554 -12.421 5.867 1.00 0.00 O ATOM 599 CG2 THR A 36 3.073 -13.592 7.354 1.00 0.00 C ATOM 0 H THR A 36 4.054 -13.004 3.602 1.00 0.00 H new ATOM 0 HA THR A 36 4.107 -15.137 5.432 1.00 0.00 H new ATOM 0 HB THR A 36 2.504 -12.557 5.578 1.00 0.00 H new ATOM 0 HG1 THR A 36 5.063 -12.682 5.071 1.00 0.00 H new ATOM 0 HG21 THR A 36 3.014 -12.706 7.986 1.00 0.00 H new ATOM 0 HG22 THR A 36 2.132 -14.140 7.408 1.00 0.00 H new ATOM 0 HG23 THR A 36 3.885 -14.231 7.700 1.00 0.00 H new ATOM 607 N THR A 37 1.246 -14.528 3.940 1.00 0.00 N ATOM 608 CA THR A 37 -0.083 -15.055 3.676 1.00 0.00 C ATOM 609 C THR A 37 -0.433 -14.895 2.199 1.00 0.00 C ATOM 610 O THR A 37 -0.632 -13.779 1.716 1.00 0.00 O ATOM 611 CB THR A 37 -1.145 -14.352 4.550 1.00 0.00 C ATOM 612 OG1 THR A 37 -0.807 -14.512 5.934 1.00 0.00 O ATOM 613 CG2 THR A 37 -2.535 -14.920 4.297 1.00 0.00 C ATOM 0 H THR A 37 1.505 -13.735 3.353 1.00 0.00 H new ATOM 0 HA THR A 37 -0.080 -16.115 3.929 1.00 0.00 H new ATOM 0 HB THR A 37 -1.157 -13.294 4.287 1.00 0.00 H new ATOM 0 HG1 THR A 37 -1.480 -14.065 6.489 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.259 -14.404 4.927 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.800 -14.779 3.249 1.00 0.00 H new ATOM 0 HG23 THR A 37 -2.542 -15.984 4.533 1.00 0.00 H new ATOM 621 N LYS A 38 -0.477 -16.012 1.486 1.00 0.00 N ATOM 622 CA LYS A 38 -0.796 -16.006 0.064 1.00 0.00 C ATOM 623 C LYS A 38 -2.205 -15.479 -0.176 1.00 0.00 C ATOM 624 O LYS A 38 -3.153 -15.886 0.496 1.00 0.00 O ATOM 625 CB LYS A 38 -0.667 -17.410 -0.522 1.00 0.00 C ATOM 626 CG LYS A 38 0.733 -17.987 -0.429 1.00 0.00 C ATOM 627 CD LYS A 38 0.796 -19.375 -1.037 1.00 0.00 C ATOM 628 CE LYS A 38 2.194 -19.956 -0.953 1.00 0.00 C ATOM 629 NZ LYS A 38 2.287 -21.288 -1.602 1.00 0.00 N ATOM 0 H LYS A 38 -0.295 -16.939 1.871 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.085 -15.345 -0.433 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.359 -18.074 -0.004 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.971 -17.386 -1.568 1.00 0.00 H new ATOM 0 HG2 LYS A 38 1.435 -17.330 -0.943 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.043 -18.030 0.615 1.00 0.00 H new ATOM 0 HD2 LYS A 38 0.096 -20.032 -0.520 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.481 -19.331 -2.080 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.899 -19.273 -1.427 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.488 -20.042 0.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.260 -21.647 -1.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.634 -21.949 -1.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.032 -21.203 -2.607 1.00 0.00 H new ATOM 643 N GLY A 39 -2.335 -14.570 -1.131 1.00 0.00 N ATOM 644 CA GLY A 39 -3.635 -14.009 -1.445 1.00 0.00 C ATOM 645 C GLY A 39 -3.906 -12.745 -0.661 1.00 0.00 C ATOM 646 O GLY A 39 -4.979 -12.150 -0.769 1.00 0.00 O ATOM 0 H GLY A 39 -1.565 -14.210 -1.694 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.690 -13.793 -2.512 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -4.410 -14.744 -1.228 1.00 0.00 H new ATOM 650 N ALA A 40 -2.931 -12.345 0.133 1.00 0.00 N ATOM 651 CA ALA A 40 -3.031 -11.130 0.915 1.00 0.00 C ATOM 652 C ALA A 40 -1.845 -10.228 0.621 1.00 0.00 C ATOM 653 O ALA A 40 -0.699 -10.587 0.875 1.00 0.00 O ATOM 654 CB ALA A 40 -3.106 -11.453 2.401 1.00 0.00 C ATOM 0 H ALA A 40 -2.053 -12.850 0.253 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.946 -10.607 0.638 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.181 -10.527 2.971 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.983 -12.071 2.595 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.208 -11.993 2.702 1.00 0.00 H new ATOM 660 N TYR A 41 -2.122 -9.069 0.061 1.00 0.00 N ATOM 661 CA TYR A 41 -1.085 -8.101 -0.235 1.00 0.00 C ATOM 662 C TYR A 41 -1.021 -7.075 0.885 1.00 0.00 C ATOM 663 O TYR A 41 -1.819 -7.119 1.818 1.00 0.00 O ATOM 664 CB TYR A 41 -1.365 -7.418 -1.574 1.00 0.00 C ATOM 665 CG TYR A 41 -1.440 -8.382 -2.737 1.00 0.00 C ATOM 666 CD1 TYR A 41 -0.293 -8.781 -3.407 1.00 0.00 C ATOM 667 CD2 TYR A 41 -2.660 -8.895 -3.163 1.00 0.00 C ATOM 668 CE1 TYR A 41 -0.355 -9.663 -4.467 1.00 0.00 C ATOM 669 CE2 TYR A 41 -2.730 -9.778 -4.224 1.00 0.00 C ATOM 670 CZ TYR A 41 -1.574 -10.159 -4.872 1.00 0.00 C ATOM 671 OH TYR A 41 -1.636 -11.037 -5.928 1.00 0.00 O ATOM 0 H TYR A 41 -3.062 -8.773 -0.200 1.00 0.00 H new ATOM 0 HA TYR A 41 -0.124 -8.610 -0.308 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -2.305 -6.871 -1.504 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -0.583 -6.685 -1.770 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.666 -8.395 -3.094 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -3.567 -8.599 -2.657 1.00 0.00 H new ATOM 0 HE1 TYR A 41 0.549 -9.963 -4.977 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -3.685 -10.168 -4.544 1.00 0.00 H new ATOM 0 HH TYR A 41 -2.569 -11.293 -6.086 1.00 0.00 H new ATOM 681 N CYS A 42 -0.079 -6.159 0.808 1.00 0.00 N ATOM 682 CA CYS A 42 0.034 -5.136 1.827 1.00 0.00 C ATOM 683 C CYS A 42 0.256 -3.772 1.198 1.00 0.00 C ATOM 684 O CYS A 42 1.294 -3.519 0.584 1.00 0.00 O ATOM 685 CB CYS A 42 1.169 -5.455 2.799 1.00 0.00 C ATOM 686 SG CYS A 42 1.245 -4.340 4.221 1.00 0.00 S ATOM 0 H CYS A 42 0.612 -6.101 0.060 1.00 0.00 H new ATOM 0 HA CYS A 42 -0.903 -5.117 2.384 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.052 -6.478 3.157 1.00 0.00 H new ATOM 0 HB3 CYS A 42 2.117 -5.411 2.263 1.00 0.00 H new ATOM 0 HG CYS A 42 0.088 -3.773 4.390 1.00 0.00 H new ATOM 692 N LEU A 43 -0.735 -2.910 1.343 1.00 0.00 N ATOM 693 CA LEU A 43 -0.621 -1.533 0.909 1.00 0.00 C ATOM 694 C LEU A 43 -0.004 -0.735 2.048 1.00 0.00 C ATOM 695 O LEU A 43 -0.704 -0.215 2.918 1.00 0.00 O ATOM 696 CB LEU A 43 -2.007 -0.981 0.525 1.00 0.00 C ATOM 697 CG LEU A 43 -2.035 0.291 -0.345 1.00 0.00 C ATOM 698 CD1 LEU A 43 -1.583 1.518 0.434 1.00 0.00 C ATOM 699 CD2 LEU A 43 -1.181 0.111 -1.592 1.00 0.00 C ATOM 0 H LEU A 43 -1.635 -3.145 1.762 1.00 0.00 H new ATOM 0 HA LEU A 43 0.013 -1.458 0.025 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.550 -1.765 -0.003 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.557 -0.776 1.444 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.069 0.453 -0.648 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.617 2.394 -0.214 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.245 1.672 1.286 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.563 1.369 0.789 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.216 1.021 -2.191 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.151 -0.093 -1.301 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.565 -0.724 -2.178 1.00 0.00 H new ATOM 711 N SER A 44 1.311 -0.690 2.065 1.00 0.00 N ATOM 712 CA SER A 44 2.029 0.000 3.112 1.00 0.00 C ATOM 713 C SER A 44 2.091 1.485 2.806 1.00 0.00 C ATOM 714 O SER A 44 2.668 1.896 1.800 1.00 0.00 O ATOM 715 CB SER A 44 3.435 -0.577 3.236 1.00 0.00 C ATOM 716 OG SER A 44 3.390 -1.988 3.361 1.00 0.00 O ATOM 0 H SER A 44 1.906 -1.126 1.361 1.00 0.00 H new ATOM 0 HA SER A 44 1.507 -0.137 4.059 1.00 0.00 H new ATOM 0 HB2 SER A 44 4.024 -0.303 2.361 1.00 0.00 H new ATOM 0 HB3 SER A 44 3.935 -0.146 4.104 1.00 0.00 H new ATOM 0 HG SER A 44 2.504 -2.260 3.680 1.00 0.00 H new ATOM 722 N VAL A 45 1.474 2.285 3.652 1.00 0.00 N ATOM 723 CA VAL A 45 1.489 3.717 3.466 1.00 0.00 C ATOM 724 C VAL A 45 2.336 4.376 4.550 1.00 0.00 C ATOM 725 O VAL A 45 2.215 4.055 5.738 1.00 0.00 O ATOM 726 CB VAL A 45 0.052 4.306 3.445 1.00 0.00 C ATOM 727 CG1 VAL A 45 -0.643 4.148 4.789 1.00 0.00 C ATOM 728 CG2 VAL A 45 0.066 5.763 3.006 1.00 0.00 C ATOM 0 H VAL A 45 0.958 1.967 4.472 1.00 0.00 H new ATOM 0 HA VAL A 45 1.936 3.929 2.495 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.522 3.736 2.714 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -1.645 4.573 4.732 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.711 3.090 5.041 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -0.071 4.668 5.558 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.953 6.151 3.000 1.00 0.00 H new ATOM 0 HG22 VAL A 45 0.672 6.346 3.699 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.488 5.837 2.004 1.00 0.00 H new ATOM 738 N SER A 46 3.235 5.249 4.127 1.00 0.00 N ATOM 739 CA SER A 46 4.063 5.986 5.052 1.00 0.00 C ATOM 740 C SER A 46 3.260 7.122 5.648 1.00 0.00 C ATOM 741 O SER A 46 2.713 7.969 4.933 1.00 0.00 O ATOM 742 CB SER A 46 5.319 6.508 4.359 1.00 0.00 C ATOM 743 OG SER A 46 6.115 7.286 5.238 1.00 0.00 O ATOM 0 H SER A 46 3.406 5.461 3.144 1.00 0.00 H new ATOM 0 HA SER A 46 4.385 5.321 5.853 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.904 5.668 3.984 1.00 0.00 H new ATOM 0 HB3 SER A 46 5.035 7.109 3.495 1.00 0.00 H new ATOM 0 HG SER A 46 7.063 7.097 5.075 1.00 0.00 H new ATOM 749 N ASP A 47 3.177 7.115 6.957 1.00 0.00 N ATOM 750 CA ASP A 47 2.356 8.069 7.673 1.00 0.00 C ATOM 751 C ASP A 47 3.228 8.943 8.555 1.00 0.00 C ATOM 752 O ASP A 47 3.982 8.444 9.391 1.00 0.00 O ATOM 753 CB ASP A 47 1.327 7.336 8.532 1.00 0.00 C ATOM 754 CG ASP A 47 0.111 8.186 8.856 1.00 0.00 C ATOM 755 OD1 ASP A 47 0.241 9.424 8.949 1.00 0.00 O ATOM 756 OD2 ASP A 47 -0.986 7.610 9.027 1.00 0.00 O ATOM 0 H ASP A 47 3.672 6.453 7.555 1.00 0.00 H new ATOM 0 HA ASP A 47 1.834 8.696 6.950 1.00 0.00 H new ATOM 0 HB2 ASP A 47 1.005 6.434 8.012 1.00 0.00 H new ATOM 0 HB3 ASP A 47 1.799 7.017 9.461 1.00 0.00 H new ATOM 761 N PHE A 48 3.133 10.239 8.362 1.00 0.00 N ATOM 762 CA PHE A 48 3.858 11.176 9.193 1.00 0.00 C ATOM 763 C PHE A 48 2.905 11.771 10.210 1.00 0.00 C ATOM 764 O PHE A 48 2.483 12.923 10.096 1.00 0.00 O ATOM 765 CB PHE A 48 4.482 12.284 8.358 1.00 0.00 C ATOM 766 CG PHE A 48 5.458 13.139 9.120 1.00 0.00 C ATOM 767 CD1 PHE A 48 6.713 12.656 9.449 1.00 0.00 C ATOM 768 CD2 PHE A 48 5.119 14.425 9.509 1.00 0.00 C ATOM 769 CE1 PHE A 48 7.612 13.436 10.152 1.00 0.00 C ATOM 770 CE2 PHE A 48 6.014 15.210 10.212 1.00 0.00 C ATOM 771 CZ PHE A 48 7.261 14.714 10.534 1.00 0.00 C ATOM 0 H PHE A 48 2.560 10.670 7.636 1.00 0.00 H new ATOM 0 HA PHE A 48 4.664 10.646 9.699 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.992 11.839 7.503 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.689 12.918 7.961 1.00 0.00 H new ATOM 0 HD1 PHE A 48 6.994 11.656 9.152 1.00 0.00 H new ATOM 0 HD2 PHE A 48 4.145 14.819 9.260 1.00 0.00 H new ATOM 0 HE1 PHE A 48 8.587 13.045 10.402 1.00 0.00 H new ATOM 0 HE2 PHE A 48 5.737 16.211 10.509 1.00 0.00 H new ATOM 0 HZ PHE A 48 7.961 15.326 11.084 1.00 0.00 H new ATOM 781 N ASP A 49 2.543 10.959 11.178 1.00 0.00 N ATOM 782 CA ASP A 49 1.663 11.396 12.249 1.00 0.00 C ATOM 783 C ASP A 49 2.314 12.534 13.011 1.00 0.00 C ATOM 784 O ASP A 49 3.435 12.388 13.504 1.00 0.00 O ATOM 785 CB ASP A 49 1.352 10.254 13.221 1.00 0.00 C ATOM 786 CG ASP A 49 0.281 9.304 12.726 1.00 0.00 C ATOM 787 OD1 ASP A 49 -0.862 9.753 12.506 1.00 0.00 O ATOM 788 OD2 ASP A 49 0.562 8.092 12.613 1.00 0.00 O ATOM 0 H ASP A 49 2.844 9.987 11.249 1.00 0.00 H new ATOM 0 HA ASP A 49 0.728 11.729 11.799 1.00 0.00 H new ATOM 0 HB2 ASP A 49 2.266 9.690 13.409 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.037 10.677 14.175 1.00 0.00 H new ATOM 793 N ASN A 50 1.620 13.660 13.110 1.00 0.00 N ATOM 794 CA ASN A 50 2.147 14.833 13.811 1.00 0.00 C ATOM 795 C ASN A 50 2.084 14.635 15.326 1.00 0.00 C ATOM 796 O ASN A 50 1.530 15.454 16.061 1.00 0.00 O ATOM 797 CB ASN A 50 1.385 16.101 13.404 1.00 0.00 C ATOM 798 CG ASN A 50 1.750 16.605 12.011 1.00 0.00 C ATOM 799 OD1 ASN A 50 1.733 17.808 11.751 1.00 0.00 O ATOM 800 ND2 ASN A 50 2.069 15.697 11.099 1.00 0.00 N ATOM 0 H ASN A 50 0.689 13.790 12.714 1.00 0.00 H new ATOM 0 HA ASN A 50 3.192 14.954 13.524 1.00 0.00 H new ATOM 0 HB2 ASN A 50 0.314 15.900 13.441 1.00 0.00 H new ATOM 0 HB3 ASN A 50 1.587 16.887 14.132 1.00 0.00 H new ATOM 0 HD21 ASN A 50 2.309 15.988 10.151 1.00 0.00 H new ATOM 0 HD22 ASN A 50 2.074 14.707 11.345 1.00 0.00 H new ATOM 807 N ALA A 51 2.652 13.521 15.768 1.00 0.00 N ATOM 808 CA ALA A 51 2.721 13.167 17.171 1.00 0.00 C ATOM 809 C ALA A 51 3.785 12.098 17.380 1.00 0.00 C ATOM 810 O ALA A 51 4.674 12.248 18.218 1.00 0.00 O ATOM 811 CB ALA A 51 1.371 12.674 17.659 1.00 0.00 C ATOM 0 H ALA A 51 3.082 12.832 15.151 1.00 0.00 H new ATOM 0 HA ALA A 51 2.991 14.052 17.747 1.00 0.00 H new ATOM 0 HB1 ALA A 51 1.439 12.412 18.715 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.627 13.460 17.528 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.075 11.795 17.086 1.00 0.00 H new ATOM 817 N LYS A 52 3.706 11.023 16.598 1.00 0.00 N ATOM 818 CA LYS A 52 4.676 9.937 16.713 1.00 0.00 C ATOM 819 C LYS A 52 5.758 10.045 15.634 1.00 0.00 C ATOM 820 O LYS A 52 6.863 9.532 15.802 1.00 0.00 O ATOM 821 CB LYS A 52 3.986 8.567 16.628 1.00 0.00 C ATOM 822 CG LYS A 52 3.479 8.208 15.240 1.00 0.00 C ATOM 823 CD LYS A 52 2.985 6.770 15.171 1.00 0.00 C ATOM 824 CE LYS A 52 1.653 6.587 15.883 1.00 0.00 C ATOM 825 NZ LYS A 52 0.575 7.412 15.271 1.00 0.00 N ATOM 0 H LYS A 52 2.989 10.881 15.886 1.00 0.00 H new ATOM 0 HA LYS A 52 5.150 10.028 17.690 1.00 0.00 H new ATOM 0 HB2 LYS A 52 4.687 7.799 16.956 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.147 8.552 17.324 1.00 0.00 H new ATOM 0 HG2 LYS A 52 2.670 8.884 14.963 1.00 0.00 H new ATOM 0 HG3 LYS A 52 4.278 8.353 14.513 1.00 0.00 H new ATOM 0 HD2 LYS A 52 2.882 6.473 14.128 1.00 0.00 H new ATOM 0 HD3 LYS A 52 3.728 6.110 15.618 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.367 5.536 15.852 1.00 0.00 H new ATOM 0 HE3 LYS A 52 1.763 6.856 16.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.353 7.036 15.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.663 8.396 15.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 0.660 7.381 14.235 1.00 0.00 H new ATOM 839 N GLY A 53 5.441 10.717 14.533 1.00 0.00 N ATOM 840 CA GLY A 53 6.397 10.862 13.449 1.00 0.00 C ATOM 841 C GLY A 53 6.171 9.851 12.341 1.00 0.00 C ATOM 842 O GLY A 53 5.071 9.301 12.211 1.00 0.00 O ATOM 0 H GLY A 53 4.539 11.164 14.371 1.00 0.00 H new ATOM 0 HA2 GLY A 53 6.327 11.869 13.038 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.407 10.748 13.841 1.00 0.00 H new ATOM 846 N LEU A 54 7.211 9.605 11.544 1.00 0.00 N ATOM 847 CA LEU A 54 7.128 8.655 10.438 1.00 0.00 C ATOM 848 C LEU A 54 6.891 7.239 10.941 1.00 0.00 C ATOM 849 O LEU A 54 7.682 6.690 11.715 1.00 0.00 O ATOM 850 CB LEU A 54 8.402 8.690 9.588 1.00 0.00 C ATOM 851 CG LEU A 54 8.508 9.862 8.610 1.00 0.00 C ATOM 852 CD1 LEU A 54 9.862 9.856 7.915 1.00 0.00 C ATOM 853 CD2 LEU A 54 7.388 9.792 7.580 1.00 0.00 C ATOM 0 H LEU A 54 8.122 10.052 11.645 1.00 0.00 H new ATOM 0 HA LEU A 54 6.280 8.953 9.821 1.00 0.00 H new ATOM 0 HB2 LEU A 54 9.263 8.717 10.256 1.00 0.00 H new ATOM 0 HB3 LEU A 54 8.467 7.760 9.023 1.00 0.00 H new ATOM 0 HG LEU A 54 8.411 10.791 9.172 1.00 0.00 H new ATOM 0 HD11 LEU A 54 9.920 10.696 7.223 1.00 0.00 H new ATOM 0 HD12 LEU A 54 10.653 9.944 8.659 1.00 0.00 H new ATOM 0 HD13 LEU A 54 9.984 8.923 7.364 1.00 0.00 H new ATOM 0 HD21 LEU A 54 7.475 10.632 6.890 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.462 8.857 7.025 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.424 9.837 8.087 1.00 0.00 H new ATOM 865 N ASN A 55 5.793 6.661 10.503 1.00 0.00 N ATOM 866 CA ASN A 55 5.466 5.288 10.825 1.00 0.00 C ATOM 867 C ASN A 55 4.807 4.632 9.628 1.00 0.00 C ATOM 868 O ASN A 55 4.109 5.290 8.857 1.00 0.00 O ATOM 869 CB ASN A 55 4.543 5.218 12.045 1.00 0.00 C ATOM 870 CG ASN A 55 3.152 5.774 11.785 1.00 0.00 C ATOM 871 OD1 ASN A 55 2.229 5.037 11.434 1.00 0.00 O ATOM 872 ND2 ASN A 55 2.995 7.081 11.942 1.00 0.00 N ATOM 0 H ASN A 55 5.103 7.128 9.915 1.00 0.00 H new ATOM 0 HA ASN A 55 6.385 4.756 11.069 1.00 0.00 H new ATOM 0 HB2 ASN A 55 4.457 4.180 12.366 1.00 0.00 H new ATOM 0 HB3 ASN A 55 4.998 5.770 12.867 1.00 0.00 H new ATOM 0 HD21 ASN A 55 2.085 7.510 11.771 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.784 7.658 12.234 1.00 0.00 H new ATOM 879 N VAL A 56 5.053 3.351 9.452 1.00 0.00 N ATOM 880 CA VAL A 56 4.423 2.616 8.378 1.00 0.00 C ATOM 881 C VAL A 56 3.098 2.043 8.851 1.00 0.00 C ATOM 882 O VAL A 56 3.051 1.277 9.813 1.00 0.00 O ATOM 883 CB VAL A 56 5.322 1.478 7.857 1.00 0.00 C ATOM 884 CG1 VAL A 56 4.639 0.731 6.720 1.00 0.00 C ATOM 885 CG2 VAL A 56 6.669 2.025 7.408 1.00 0.00 C ATOM 0 H VAL A 56 5.682 2.800 10.036 1.00 0.00 H new ATOM 0 HA VAL A 56 4.255 3.313 7.557 1.00 0.00 H new ATOM 0 HB VAL A 56 5.492 0.775 8.672 1.00 0.00 H new ATOM 0 HG11 VAL A 56 5.290 -0.068 6.367 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.702 0.304 7.076 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.435 1.422 5.902 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.291 1.207 7.043 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.519 2.751 6.609 1.00 0.00 H new ATOM 0 HG23 VAL A 56 7.164 2.509 8.250 1.00 0.00 H new ATOM 895 N LYS A 57 2.026 2.443 8.198 1.00 0.00 N ATOM 896 CA LYS A 57 0.712 1.923 8.509 1.00 0.00 C ATOM 897 C LYS A 57 0.400 0.782 7.549 1.00 0.00 C ATOM 898 O LYS A 57 0.050 1.005 6.387 1.00 0.00 O ATOM 899 CB LYS A 57 -0.329 3.043 8.421 1.00 0.00 C ATOM 900 CG LYS A 57 -1.700 2.658 8.947 1.00 0.00 C ATOM 901 CD LYS A 57 -2.624 3.867 9.070 1.00 0.00 C ATOM 902 CE LYS A 57 -2.388 4.658 10.355 1.00 0.00 C ATOM 903 NZ LYS A 57 -1.074 5.359 10.378 1.00 0.00 N ATOM 0 H LYS A 57 2.041 3.130 7.445 1.00 0.00 H new ATOM 0 HA LYS A 57 0.685 1.537 9.528 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.033 3.906 8.980 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.425 3.354 7.381 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -2.151 1.923 8.280 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.594 2.182 9.922 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.475 4.522 8.212 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.661 3.532 9.039 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -3.186 5.391 10.475 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.446 3.981 11.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.035 5.996 11.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.308 4.659 10.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.960 5.912 9.505 1.00 0.00 H new ATOM 917 N HIS A 58 0.563 -0.441 8.037 1.00 0.00 N ATOM 918 CA HIS A 58 0.498 -1.626 7.191 1.00 0.00 C ATOM 919 C HIS A 58 -0.945 -2.025 6.907 1.00 0.00 C ATOM 920 O HIS A 58 -1.544 -2.797 7.658 1.00 0.00 O ATOM 921 CB HIS A 58 1.229 -2.809 7.849 1.00 0.00 C ATOM 922 CG HIS A 58 2.651 -2.529 8.253 1.00 0.00 C ATOM 923 ND1 HIS A 58 3.723 -2.915 7.475 1.00 0.00 N ATOM 924 CD2 HIS A 58 3.119 -1.929 9.374 1.00 0.00 C ATOM 925 CE1 HIS A 58 4.805 -2.543 8.141 1.00 0.00 C ATOM 926 NE2 HIS A 58 4.486 -1.943 9.294 1.00 0.00 N ATOM 0 H HIS A 58 0.742 -0.639 9.021 1.00 0.00 H new ATOM 0 HA HIS A 58 0.987 -1.377 6.250 1.00 0.00 H new ATOM 0 HB2 HIS A 58 0.670 -3.117 8.732 1.00 0.00 H new ATOM 0 HB3 HIS A 58 1.222 -3.652 7.158 1.00 0.00 H new ATOM 0 HD2 HIS A 58 2.527 -1.518 10.178 1.00 0.00 H new ATOM 0 HE1 HIS A 58 5.816 -2.703 7.798 1.00 0.00 H new ATOM 0 HE2 HIS A 58 5.138 -1.567 9.983 1.00 0.00 H new ATOM 934 N TYR A 59 -1.510 -1.490 5.834 1.00 0.00 N ATOM 935 CA TYR A 59 -2.827 -1.915 5.387 1.00 0.00 C ATOM 936 C TYR A 59 -2.711 -3.234 4.645 1.00 0.00 C ATOM 937 O TYR A 59 -1.739 -3.471 3.928 1.00 0.00 O ATOM 938 CB TYR A 59 -3.487 -0.851 4.506 1.00 0.00 C ATOM 939 CG TYR A 59 -4.050 0.307 5.295 1.00 0.00 C ATOM 940 CD1 TYR A 59 -5.176 0.136 6.090 1.00 0.00 C ATOM 941 CD2 TYR A 59 -3.456 1.562 5.258 1.00 0.00 C ATOM 942 CE1 TYR A 59 -5.696 1.182 6.824 1.00 0.00 C ATOM 943 CE2 TYR A 59 -3.971 2.614 5.993 1.00 0.00 C ATOM 944 CZ TYR A 59 -5.091 2.418 6.772 1.00 0.00 C ATOM 945 OH TYR A 59 -5.602 3.457 7.512 1.00 0.00 O ATOM 0 H TYR A 59 -1.079 -0.765 5.260 1.00 0.00 H new ATOM 0 HA TYR A 59 -3.463 -2.052 6.261 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -2.755 -0.474 3.792 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.288 -1.312 3.928 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -5.653 -0.832 6.134 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -2.580 1.718 4.647 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -6.573 1.032 7.436 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.498 3.584 5.957 1.00 0.00 H new ATOM 0 HH TYR A 59 -5.060 4.260 7.366 1.00 0.00 H new ATOM 955 N LYS A 60 -3.691 -4.099 4.827 1.00 0.00 N ATOM 956 CA LYS A 60 -3.610 -5.447 4.297 1.00 0.00 C ATOM 957 C LYS A 60 -4.676 -5.674 3.235 1.00 0.00 C ATOM 958 O LYS A 60 -5.878 -5.598 3.509 1.00 0.00 O ATOM 959 CB LYS A 60 -3.737 -6.457 5.441 1.00 0.00 C ATOM 960 CG LYS A 60 -2.810 -6.128 6.605 1.00 0.00 C ATOM 961 CD LYS A 60 -2.948 -7.102 7.762 1.00 0.00 C ATOM 962 CE LYS A 60 -2.353 -8.460 7.436 1.00 0.00 C ATOM 963 NZ LYS A 60 -2.154 -9.270 8.666 1.00 0.00 N ATOM 0 H LYS A 60 -4.550 -3.893 5.336 1.00 0.00 H new ATOM 0 HA LYS A 60 -2.641 -5.586 3.818 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.768 -6.476 5.794 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -3.509 -7.456 5.069 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -1.778 -6.132 6.254 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -3.022 -5.119 6.958 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -2.454 -6.691 8.642 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -4.002 -7.219 8.014 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -3.011 -8.993 6.749 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -1.399 -8.329 6.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -1.746 -10.192 8.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -1.507 -8.771 9.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -3.069 -9.414 9.138 1.00 0.00 H new ATOM 977 N ILE A 61 -4.216 -5.939 2.022 1.00 0.00 N ATOM 978 CA ILE A 61 -5.096 -6.155 0.884 1.00 0.00 C ATOM 979 C ILE A 61 -5.485 -7.624 0.805 1.00 0.00 C ATOM 980 O ILE A 61 -4.771 -8.439 0.220 1.00 0.00 O ATOM 981 CB ILE A 61 -4.423 -5.730 -0.442 1.00 0.00 C ATOM 982 CG1 ILE A 61 -3.974 -4.268 -0.366 1.00 0.00 C ATOM 983 CG2 ILE A 61 -5.370 -5.943 -1.618 1.00 0.00 C ATOM 984 CD1 ILE A 61 -3.236 -3.794 -1.599 1.00 0.00 C ATOM 0 H ILE A 61 -3.223 -6.010 1.799 1.00 0.00 H new ATOM 0 HA ILE A 61 -5.985 -5.541 1.028 1.00 0.00 H new ATOM 0 HB ILE A 61 -3.543 -6.353 -0.599 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -4.849 -3.636 -0.211 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.330 -4.140 0.504 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.878 -5.638 -2.541 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.640 -6.997 -1.682 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -6.270 -5.346 -1.473 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -2.949 -2.750 -1.473 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.342 -4.401 -1.744 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.884 -3.889 -2.470 1.00 0.00 H new ATOM 996 N ARG A 62 -6.601 -7.954 1.415 1.00 0.00 N ATOM 997 CA ARG A 62 -7.067 -9.328 1.460 1.00 0.00 C ATOM 998 C ARG A 62 -8.148 -9.542 0.415 1.00 0.00 C ATOM 999 O ARG A 62 -8.942 -8.641 0.144 1.00 0.00 O ATOM 1000 CB ARG A 62 -7.602 -9.645 2.854 1.00 0.00 C ATOM 1001 CG ARG A 62 -6.538 -9.580 3.936 1.00 0.00 C ATOM 1002 CD ARG A 62 -7.156 -9.478 5.318 1.00 0.00 C ATOM 1003 NE ARG A 62 -7.852 -8.205 5.509 1.00 0.00 N ATOM 1004 CZ ARG A 62 -8.374 -7.806 6.668 1.00 0.00 C ATOM 1005 NH1 ARG A 62 -8.249 -8.558 7.751 1.00 0.00 N ATOM 1006 NH2 ARG A 62 -8.993 -6.636 6.741 1.00 0.00 N ATOM 0 H ARG A 62 -7.209 -7.287 1.891 1.00 0.00 H new ATOM 0 HA ARG A 62 -6.236 -9.999 1.242 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -8.400 -8.944 3.097 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -8.044 -10.642 2.848 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -5.908 -10.468 3.882 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -5.892 -8.720 3.761 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -7.856 -10.301 5.465 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -6.377 -9.583 6.073 1.00 0.00 H new ATOM 0 HE ARG A 62 -7.943 -7.584 4.705 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -7.751 -9.447 7.700 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -8.650 -8.248 8.636 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -9.068 -6.046 5.912 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -9.394 -6.326 7.626 1.00 0.00 H new ATOM 1020 N LYS A 63 -8.165 -10.719 -0.187 1.00 0.00 N ATOM 1021 CA LYS A 63 -9.161 -11.022 -1.198 1.00 0.00 C ATOM 1022 C LYS A 63 -10.418 -11.584 -0.542 1.00 0.00 C ATOM 1023 O LYS A 63 -10.369 -12.074 0.590 1.00 0.00 O ATOM 1024 CB LYS A 63 -8.619 -12.012 -2.246 1.00 0.00 C ATOM 1025 CG LYS A 63 -8.746 -13.484 -1.859 1.00 0.00 C ATOM 1026 CD LYS A 63 -7.865 -13.861 -0.677 1.00 0.00 C ATOM 1027 CE LYS A 63 -8.150 -15.281 -0.208 1.00 0.00 C ATOM 1028 NZ LYS A 63 -7.825 -16.298 -1.245 1.00 0.00 N ATOM 0 H LYS A 63 -7.506 -11.474 0.005 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.408 -10.094 -1.714 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -9.147 -11.851 -3.186 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.568 -11.788 -2.428 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -9.786 -13.703 -1.616 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -8.482 -14.104 -2.716 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.816 -13.772 -0.959 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.035 -13.163 0.143 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.571 -15.486 0.692 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.202 -15.367 0.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.956 -17.251 -0.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.455 -16.173 -2.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.837 -16.181 -1.548 1.00 0.00 H new ATOM 1042 N LEU A 64 -11.534 -11.481 -1.236 1.00 0.00 N ATOM 1043 CA LEU A 64 -12.785 -12.041 -0.763 1.00 0.00 C ATOM 1044 C LEU A 64 -12.752 -13.564 -0.808 1.00 0.00 C ATOM 1045 O LEU A 64 -12.307 -14.213 0.142 1.00 0.00 O ATOM 1046 CB LEU A 64 -13.946 -11.482 -1.592 1.00 0.00 C ATOM 1047 CG LEU A 64 -14.661 -10.289 -0.952 1.00 0.00 C ATOM 1048 CD1 LEU A 64 -15.713 -9.714 -1.883 1.00 0.00 C ATOM 1049 CD2 LEU A 64 -15.299 -10.698 0.363 1.00 0.00 C ATOM 0 H LEU A 64 -11.600 -11.010 -2.138 1.00 0.00 H new ATOM 0 HA LEU A 64 -12.932 -11.753 0.278 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -13.568 -11.182 -2.569 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -14.672 -12.277 -1.761 1.00 0.00 H new ATOM 0 HG LEU A 64 -13.916 -9.517 -0.762 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -16.203 -8.869 -1.400 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -15.239 -9.380 -2.806 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -16.454 -10.480 -2.112 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -15.803 -9.839 0.805 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -16.024 -11.492 0.184 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -14.528 -11.057 1.045 1.00 0.00 H new ATOM 1061 N ASP A 65 -13.199 -14.131 -1.915 1.00 0.00 N ATOM 1062 CA ASP A 65 -13.140 -15.569 -2.104 1.00 0.00 C ATOM 1063 C ASP A 65 -12.608 -15.885 -3.494 1.00 0.00 C ATOM 1064 O ASP A 65 -11.885 -16.861 -3.683 1.00 0.00 O ATOM 1065 CB ASP A 65 -14.519 -16.214 -1.890 1.00 0.00 C ATOM 1066 CG ASP A 65 -15.521 -15.849 -2.969 1.00 0.00 C ATOM 1067 OD1 ASP A 65 -16.137 -14.766 -2.874 1.00 0.00 O ATOM 1068 OD2 ASP A 65 -15.693 -16.636 -3.919 1.00 0.00 O ATOM 0 H ASP A 65 -13.607 -13.617 -2.696 1.00 0.00 H new ATOM 0 HA ASP A 65 -12.462 -15.988 -1.361 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -14.406 -17.298 -1.859 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -14.910 -15.907 -0.920 1.00 0.00 H new ATOM 1073 N SER A 66 -12.947 -15.042 -4.460 1.00 0.00 N ATOM 1074 CA SER A 66 -12.464 -15.227 -5.815 1.00 0.00 C ATOM 1075 C SER A 66 -12.303 -13.885 -6.529 1.00 0.00 C ATOM 1076 O SER A 66 -11.406 -13.726 -7.358 1.00 0.00 O ATOM 1077 CB SER A 66 -13.418 -16.139 -6.597 1.00 0.00 C ATOM 1078 OG SER A 66 -12.856 -16.532 -7.842 1.00 0.00 O ATOM 0 H SER A 66 -13.550 -14.230 -4.329 1.00 0.00 H new ATOM 0 HA SER A 66 -11.484 -15.701 -5.766 1.00 0.00 H new ATOM 0 HB2 SER A 66 -13.646 -17.024 -6.003 1.00 0.00 H new ATOM 0 HB3 SER A 66 -14.361 -15.620 -6.769 1.00 0.00 H new ATOM 0 HG SER A 66 -13.486 -17.113 -8.316 1.00 0.00 H new ATOM 1084 N GLY A 67 -13.134 -12.904 -6.185 1.00 0.00 N ATOM 1085 CA GLY A 67 -13.134 -11.671 -6.943 1.00 0.00 C ATOM 1086 C GLY A 67 -13.477 -10.454 -6.115 1.00 0.00 C ATOM 1087 O GLY A 67 -14.541 -9.865 -6.286 1.00 0.00 O ATOM 0 H GLY A 67 -13.795 -12.941 -5.409 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -12.151 -11.530 -7.392 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -13.849 -11.757 -7.761 1.00 0.00 H new ATOM 1091 N GLY A 68 -12.591 -10.080 -5.207 1.00 0.00 N ATOM 1092 CA GLY A 68 -12.775 -8.845 -4.478 1.00 0.00 C ATOM 1093 C GLY A 68 -11.646 -8.561 -3.515 1.00 0.00 C ATOM 1094 O GLY A 68 -11.648 -9.058 -2.396 1.00 0.00 O ATOM 0 H GLY A 68 -11.752 -10.606 -4.963 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -12.860 -8.020 -5.185 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -13.714 -8.890 -3.927 1.00 0.00 H new ATOM 1098 N PHE A 69 -10.669 -7.783 -3.956 1.00 0.00 N ATOM 1099 CA PHE A 69 -9.605 -7.333 -3.071 1.00 0.00 C ATOM 1100 C PHE A 69 -10.086 -6.113 -2.304 1.00 0.00 C ATOM 1101 O PHE A 69 -10.543 -5.137 -2.904 1.00 0.00 O ATOM 1102 CB PHE A 69 -8.339 -6.982 -3.860 1.00 0.00 C ATOM 1103 CG PHE A 69 -7.751 -8.137 -4.622 1.00 0.00 C ATOM 1104 CD1 PHE A 69 -7.028 -9.119 -3.965 1.00 0.00 C ATOM 1105 CD2 PHE A 69 -7.920 -8.235 -5.993 1.00 0.00 C ATOM 1106 CE1 PHE A 69 -6.486 -10.181 -4.664 1.00 0.00 C ATOM 1107 CE2 PHE A 69 -7.380 -9.294 -6.696 1.00 0.00 C ATOM 1108 CZ PHE A 69 -6.662 -10.268 -6.032 1.00 0.00 C ATOM 0 H PHE A 69 -10.591 -7.451 -4.917 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.358 -8.140 -2.381 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.571 -6.179 -4.560 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -7.589 -6.596 -3.170 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -6.886 -9.054 -2.896 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.480 -7.475 -6.518 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -5.925 -10.942 -4.142 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -7.519 -9.360 -7.765 1.00 0.00 H new ATOM 0 HZ PHE A 69 -6.239 -11.096 -6.580 1.00 0.00 H new ATOM 1118 N TYR A 70 -10.009 -6.172 -0.986 1.00 0.00 N ATOM 1119 CA TYR A 70 -10.505 -5.088 -0.162 1.00 0.00 C ATOM 1120 C TYR A 70 -9.446 -4.584 0.803 1.00 0.00 C ATOM 1121 O TYR A 70 -8.745 -5.362 1.454 1.00 0.00 O ATOM 1122 CB TYR A 70 -11.764 -5.520 0.607 1.00 0.00 C ATOM 1123 CG TYR A 70 -11.660 -6.881 1.269 1.00 0.00 C ATOM 1124 CD1 TYR A 70 -11.035 -7.044 2.500 1.00 0.00 C ATOM 1125 CD2 TYR A 70 -12.193 -8.005 0.653 1.00 0.00 C ATOM 1126 CE1 TYR A 70 -10.944 -8.291 3.094 1.00 0.00 C ATOM 1127 CE2 TYR A 70 -12.105 -9.249 1.241 1.00 0.00 C ATOM 1128 CZ TYR A 70 -11.480 -9.389 2.457 1.00 0.00 C ATOM 1129 OH TYR A 70 -11.384 -10.636 3.034 1.00 0.00 O ATOM 0 H TYR A 70 -9.610 -6.955 -0.468 1.00 0.00 H new ATOM 0 HA TYR A 70 -10.765 -4.267 -0.830 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -11.982 -4.774 1.371 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -12.610 -5.528 -0.081 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -10.614 -6.185 3.001 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -12.685 -7.903 -0.303 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -10.456 -8.403 4.051 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -12.526 -10.112 0.747 1.00 0.00 H new ATOM 0 HH TYR A 70 -11.041 -11.276 2.376 1.00 0.00 H new ATOM 1139 N ILE A 71 -9.309 -3.270 0.849 1.00 0.00 N ATOM 1140 CA ILE A 71 -8.533 -2.618 1.887 1.00 0.00 C ATOM 1141 C ILE A 71 -9.473 -2.234 3.017 1.00 0.00 C ATOM 1142 O ILE A 71 -9.154 -2.384 4.199 1.00 0.00 O ATOM 1143 CB ILE A 71 -7.810 -1.354 1.364 1.00 0.00 C ATOM 1144 CG1 ILE A 71 -6.751 -1.731 0.325 1.00 0.00 C ATOM 1145 CG2 ILE A 71 -7.185 -0.580 2.515 1.00 0.00 C ATOM 1146 CD1 ILE A 71 -6.009 -0.537 -0.244 1.00 0.00 C ATOM 0 H ILE A 71 -9.729 -2.631 0.174 1.00 0.00 H new ATOM 0 HA ILE A 71 -7.766 -3.311 2.233 1.00 0.00 H new ATOM 0 HB ILE A 71 -8.547 -0.711 0.882 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -6.032 -2.412 0.781 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -7.230 -2.273 -0.490 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -6.681 0.305 2.127 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -7.964 -0.277 3.215 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -6.462 -1.213 3.029 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -5.275 -0.879 -0.973 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -6.718 0.134 -0.730 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -5.501 -0.007 0.561 1.00 0.00 H new ATOM 1158 N THR A 72 -10.650 -1.775 2.629 1.00 0.00 N ATOM 1159 CA THR A 72 -11.678 -1.382 3.570 1.00 0.00 C ATOM 1160 C THR A 72 -12.945 -2.212 3.335 1.00 0.00 C ATOM 1161 O THR A 72 -12.971 -3.057 2.437 1.00 0.00 O ATOM 1162 CB THR A 72 -11.970 0.135 3.462 1.00 0.00 C ATOM 1163 OG1 THR A 72 -13.019 0.524 4.360 1.00 0.00 O ATOM 1164 CG2 THR A 72 -12.339 0.517 2.037 1.00 0.00 C ATOM 0 H THR A 72 -10.918 -1.665 1.651 1.00 0.00 H new ATOM 0 HA THR A 72 -11.324 -1.575 4.583 1.00 0.00 H new ATOM 0 HB THR A 72 -11.060 0.665 3.742 1.00 0.00 H new ATOM 0 HG1 THR A 72 -13.183 1.486 4.274 1.00 0.00 H new ATOM 0 HG21 THR A 72 -12.539 1.587 1.988 1.00 0.00 H new ATOM 0 HG22 THR A 72 -11.513 0.271 1.369 1.00 0.00 H new ATOM 0 HG23 THR A 72 -13.229 -0.033 1.732 1.00 0.00 H new ATOM 1172 N SER A 73 -13.983 -1.979 4.118 1.00 0.00 N ATOM 1173 CA SER A 73 -15.170 -2.822 4.082 1.00 0.00 C ATOM 1174 C SER A 73 -16.009 -2.586 2.820 1.00 0.00 C ATOM 1175 O SER A 73 -16.457 -3.537 2.173 1.00 0.00 O ATOM 1176 CB SER A 73 -16.019 -2.572 5.332 1.00 0.00 C ATOM 1177 OG SER A 73 -17.147 -3.430 5.371 1.00 0.00 O ATOM 0 H SER A 73 -14.030 -1.212 4.789 1.00 0.00 H new ATOM 0 HA SER A 73 -14.838 -3.860 4.061 1.00 0.00 H new ATOM 0 HB2 SER A 73 -15.411 -2.727 6.223 1.00 0.00 H new ATOM 0 HB3 SER A 73 -16.349 -1.533 5.348 1.00 0.00 H new ATOM 0 HG SER A 73 -17.669 -3.248 6.181 1.00 0.00 H new ATOM 1183 N ARG A 74 -16.194 -1.323 2.461 1.00 0.00 N ATOM 1184 CA ARG A 74 -17.137 -0.960 1.409 1.00 0.00 C ATOM 1185 C ARG A 74 -16.661 -1.409 0.032 1.00 0.00 C ATOM 1186 O ARG A 74 -17.355 -2.154 -0.665 1.00 0.00 O ATOM 1187 CB ARG A 74 -17.369 0.554 1.400 1.00 0.00 C ATOM 1188 CG ARG A 74 -17.812 1.110 2.743 1.00 0.00 C ATOM 1189 CD ARG A 74 -19.083 0.442 3.240 1.00 0.00 C ATOM 1190 NE ARG A 74 -19.392 0.821 4.615 1.00 0.00 N ATOM 1191 CZ ARG A 74 -19.955 0.004 5.505 1.00 0.00 C ATOM 1192 NH1 ARG A 74 -20.335 -1.214 5.141 1.00 0.00 N ATOM 1193 NH2 ARG A 74 -20.153 0.408 6.753 1.00 0.00 N ATOM 0 H ARG A 74 -15.705 -0.533 2.881 1.00 0.00 H new ATOM 0 HA ARG A 74 -18.072 -1.476 1.627 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -16.449 1.052 1.096 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -18.124 0.793 0.651 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -17.017 0.968 3.475 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -17.976 2.184 2.655 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -19.915 0.716 2.592 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -18.973 -0.641 3.177 1.00 0.00 H new ATOM 0 HE ARG A 74 -19.163 1.769 4.913 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -20.196 -1.526 4.180 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -20.766 -1.839 5.822 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -19.874 1.348 7.035 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -20.584 -0.221 7.430 1.00 0.00 H new ATOM 1207 N THR A 75 -15.477 -0.969 -0.347 1.00 0.00 N ATOM 1208 CA THR A 75 -15.003 -1.140 -1.703 1.00 0.00 C ATOM 1209 C THR A 75 -14.200 -2.420 -1.908 1.00 0.00 C ATOM 1210 O THR A 75 -13.178 -2.651 -1.258 1.00 0.00 O ATOM 1211 CB THR A 75 -14.151 0.063 -2.105 1.00 0.00 C ATOM 1212 OG1 THR A 75 -13.760 0.785 -0.928 1.00 0.00 O ATOM 1213 CG2 THR A 75 -14.920 0.963 -3.050 1.00 0.00 C ATOM 0 H THR A 75 -14.823 -0.488 0.271 1.00 0.00 H new ATOM 0 HA THR A 75 -15.888 -1.217 -2.335 1.00 0.00 H new ATOM 0 HB THR A 75 -13.258 -0.286 -2.623 1.00 0.00 H new ATOM 0 HG1 THR A 75 -12.784 0.769 -0.844 1.00 0.00 H new ATOM 0 HG21 THR A 75 -14.299 1.815 -3.327 1.00 0.00 H new ATOM 0 HG22 THR A 75 -15.190 0.404 -3.946 1.00 0.00 H new ATOM 0 HG23 THR A 75 -15.825 1.318 -2.558 1.00 0.00 H new ATOM 1221 N GLN A 76 -14.693 -3.254 -2.811 1.00 0.00 N ATOM 1222 CA GLN A 76 -13.970 -4.423 -3.280 1.00 0.00 C ATOM 1223 C GLN A 76 -13.577 -4.235 -4.739 1.00 0.00 C ATOM 1224 O GLN A 76 -14.405 -3.844 -5.563 1.00 0.00 O ATOM 1225 CB GLN A 76 -14.820 -5.688 -3.151 1.00 0.00 C ATOM 1226 CG GLN A 76 -14.823 -6.294 -1.761 1.00 0.00 C ATOM 1227 CD GLN A 76 -15.757 -5.607 -0.786 1.00 0.00 C ATOM 1228 OE1 GLN A 76 -16.944 -5.920 -0.712 1.00 0.00 O ATOM 1229 NE2 GLN A 76 -15.207 -4.720 0.012 1.00 0.00 N ATOM 0 H GLN A 76 -15.611 -3.137 -3.240 1.00 0.00 H new ATOM 0 HA GLN A 76 -13.079 -4.537 -2.663 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -15.846 -5.454 -3.436 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -14.455 -6.432 -3.859 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -15.103 -7.345 -1.836 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -13.810 -6.261 -1.360 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -14.218 -4.491 -0.085 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -15.769 -4.261 0.729 1.00 0.00 H new ATOM 1238 N PHE A 77 -12.320 -4.502 -5.055 1.00 0.00 N ATOM 1239 CA PHE A 77 -11.836 -4.375 -6.422 1.00 0.00 C ATOM 1240 C PHE A 77 -11.241 -5.691 -6.900 1.00 0.00 C ATOM 1241 O PHE A 77 -10.436 -6.303 -6.204 1.00 0.00 O ATOM 1242 CB PHE A 77 -10.795 -3.259 -6.523 1.00 0.00 C ATOM 1243 CG PHE A 77 -11.342 -1.906 -6.176 1.00 0.00 C ATOM 1244 CD1 PHE A 77 -11.967 -1.135 -7.139 1.00 0.00 C ATOM 1245 CD2 PHE A 77 -11.238 -1.409 -4.889 1.00 0.00 C ATOM 1246 CE1 PHE A 77 -12.478 0.109 -6.828 1.00 0.00 C ATOM 1247 CE2 PHE A 77 -11.747 -0.167 -4.571 1.00 0.00 C ATOM 1248 CZ PHE A 77 -12.367 0.594 -5.542 1.00 0.00 C ATOM 0 H PHE A 77 -11.615 -4.808 -4.384 1.00 0.00 H new ATOM 0 HA PHE A 77 -12.681 -4.120 -7.061 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -9.961 -3.488 -5.859 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -10.397 -3.233 -7.537 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -12.056 -1.511 -8.147 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -10.753 -1.999 -4.126 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -12.963 0.701 -7.590 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -11.661 0.210 -3.563 1.00 0.00 H new ATOM 0 HZ PHE A 77 -12.764 1.567 -5.295 1.00 0.00 H new ATOM 1258 N SER A 78 -11.641 -6.128 -8.081 1.00 0.00 N ATOM 1259 CA SER A 78 -11.178 -7.398 -8.623 1.00 0.00 C ATOM 1260 C SER A 78 -9.828 -7.255 -9.332 1.00 0.00 C ATOM 1261 O SER A 78 -9.330 -8.204 -9.941 1.00 0.00 O ATOM 1262 CB SER A 78 -12.238 -7.960 -9.570 1.00 0.00 C ATOM 1263 OG SER A 78 -12.993 -6.914 -10.166 1.00 0.00 O ATOM 0 H SER A 78 -12.287 -5.622 -8.686 1.00 0.00 H new ATOM 0 HA SER A 78 -11.027 -8.093 -7.797 1.00 0.00 H new ATOM 0 HB2 SER A 78 -11.758 -8.555 -10.347 1.00 0.00 H new ATOM 0 HB3 SER A 78 -12.903 -8.627 -9.022 1.00 0.00 H new ATOM 0 HG SER A 78 -13.706 -6.636 -9.554 1.00 0.00 H new ATOM 1269 N SER A 79 -9.244 -6.068 -9.258 1.00 0.00 N ATOM 1270 CA SER A 79 -7.934 -5.817 -9.841 1.00 0.00 C ATOM 1271 C SER A 79 -7.174 -4.784 -9.016 1.00 0.00 C ATOM 1272 O SER A 79 -7.739 -3.780 -8.582 1.00 0.00 O ATOM 1273 CB SER A 79 -8.086 -5.339 -11.285 1.00 0.00 C ATOM 1274 OG SER A 79 -8.746 -6.319 -12.069 1.00 0.00 O ATOM 0 H SER A 79 -9.660 -5.259 -8.797 1.00 0.00 H new ATOM 0 HA SER A 79 -7.365 -6.746 -9.837 1.00 0.00 H new ATOM 0 HB2 SER A 79 -8.651 -4.407 -11.308 1.00 0.00 H new ATOM 0 HB3 SER A 79 -7.104 -5.127 -11.709 1.00 0.00 H new ATOM 0 HG SER A 79 -8.836 -5.995 -12.990 1.00 0.00 H new ATOM 1280 N LEU A 80 -5.887 -5.043 -8.806 1.00 0.00 N ATOM 1281 CA LEU A 80 -5.055 -4.199 -7.957 1.00 0.00 C ATOM 1282 C LEU A 80 -4.740 -2.871 -8.631 1.00 0.00 C ATOM 1283 O LEU A 80 -4.549 -1.863 -7.953 1.00 0.00 O ATOM 1284 CB LEU A 80 -3.755 -4.918 -7.597 1.00 0.00 C ATOM 1285 CG LEU A 80 -3.920 -6.184 -6.755 1.00 0.00 C ATOM 1286 CD1 LEU A 80 -2.567 -6.807 -6.463 1.00 0.00 C ATOM 1287 CD2 LEU A 80 -4.657 -5.875 -5.459 1.00 0.00 C ATOM 0 H LEU A 80 -5.395 -5.837 -9.216 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.617 -3.995 -7.046 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.237 -5.180 -8.519 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.112 -4.223 -7.056 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.514 -6.899 -7.324 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.703 -7.707 -5.863 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.076 -7.067 -7.401 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.949 -6.095 -5.915 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.764 -6.789 -4.875 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.091 -5.141 -4.885 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.644 -5.473 -5.689 1.00 0.00 H new ATOM 1299 N GLN A 81 -4.673 -2.876 -9.961 1.00 0.00 N ATOM 1300 CA GLN A 81 -4.458 -1.649 -10.725 1.00 0.00 C ATOM 1301 C GLN A 81 -5.608 -0.677 -10.457 1.00 0.00 C ATOM 1302 O GLN A 81 -5.394 0.493 -10.143 1.00 0.00 O ATOM 1303 CB GLN A 81 -4.374 -1.968 -12.225 1.00 0.00 C ATOM 1304 CG GLN A 81 -3.445 -1.055 -13.023 1.00 0.00 C ATOM 1305 CD GLN A 81 -3.742 0.423 -12.851 1.00 0.00 C ATOM 1306 OE1 GLN A 81 -4.585 0.986 -13.553 1.00 0.00 O ATOM 1307 NE2 GLN A 81 -3.031 1.068 -11.938 1.00 0.00 N ATOM 0 H GLN A 81 -4.765 -3.716 -10.532 1.00 0.00 H new ATOM 0 HA GLN A 81 -3.519 -1.191 -10.415 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -4.039 -2.998 -12.345 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -5.375 -1.907 -12.652 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -2.415 -1.247 -12.721 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -3.520 -1.310 -14.080 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -2.343 0.564 -11.378 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -3.171 2.068 -11.795 1.00 0.00 H new ATOM 1316 N GLN A 82 -6.828 -1.195 -10.558 1.00 0.00 N ATOM 1317 CA GLN A 82 -8.028 -0.444 -10.301 1.00 0.00 C ATOM 1318 C GLN A 82 -8.070 0.020 -8.843 1.00 0.00 C ATOM 1319 O GLN A 82 -8.539 1.118 -8.541 1.00 0.00 O ATOM 1320 CB GLN A 82 -9.210 -1.353 -10.630 1.00 0.00 C ATOM 1321 CG GLN A 82 -10.537 -0.811 -10.193 1.00 0.00 C ATOM 1322 CD GLN A 82 -11.664 -1.809 -10.387 1.00 0.00 C ATOM 1323 OE1 GLN A 82 -11.452 -3.021 -10.323 1.00 0.00 O ATOM 1324 NE2 GLN A 82 -12.869 -1.314 -10.619 1.00 0.00 N ATOM 0 H GLN A 82 -7.001 -2.164 -10.825 1.00 0.00 H new ATOM 0 HA GLN A 82 -8.064 0.454 -10.917 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -9.235 -1.523 -11.706 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -9.052 -2.323 -10.158 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -10.482 -0.529 -9.141 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -10.758 0.096 -10.755 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -13.005 -0.304 -10.665 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -13.662 -1.942 -10.752 1.00 0.00 H new ATOM 1333 N LEU A 83 -7.560 -0.828 -7.955 1.00 0.00 N ATOM 1334 CA LEU A 83 -7.498 -0.527 -6.530 1.00 0.00 C ATOM 1335 C LEU A 83 -6.695 0.755 -6.278 1.00 0.00 C ATOM 1336 O LEU A 83 -7.225 1.736 -5.752 1.00 0.00 O ATOM 1337 CB LEU A 83 -6.883 -1.736 -5.792 1.00 0.00 C ATOM 1338 CG LEU A 83 -6.709 -1.633 -4.266 1.00 0.00 C ATOM 1339 CD1 LEU A 83 -5.458 -0.846 -3.902 1.00 0.00 C ATOM 1340 CD2 LEU A 83 -7.941 -1.017 -3.618 1.00 0.00 C ATOM 0 H LEU A 83 -7.179 -1.741 -8.203 1.00 0.00 H new ATOM 0 HA LEU A 83 -8.503 -0.352 -6.147 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -7.505 -2.607 -6.000 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -5.903 -1.932 -6.228 1.00 0.00 H new ATOM 0 HG LEU A 83 -6.590 -2.645 -3.879 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -5.365 -0.792 -2.817 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -4.582 -1.344 -4.317 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -5.531 0.162 -4.311 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -7.793 -0.955 -2.540 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -8.102 -0.017 -4.020 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -8.812 -1.637 -3.830 1.00 0.00 H new ATOM 1352 N VAL A 84 -5.422 0.747 -6.668 1.00 0.00 N ATOM 1353 CA VAL A 84 -4.532 1.879 -6.409 1.00 0.00 C ATOM 1354 C VAL A 84 -4.971 3.129 -7.160 1.00 0.00 C ATOM 1355 O VAL A 84 -4.983 4.226 -6.600 1.00 0.00 O ATOM 1356 CB VAL A 84 -3.067 1.560 -6.767 1.00 0.00 C ATOM 1357 CG1 VAL A 84 -2.389 0.809 -5.632 1.00 0.00 C ATOM 1358 CG2 VAL A 84 -2.974 0.758 -8.052 1.00 0.00 C ATOM 0 H VAL A 84 -4.983 -0.029 -7.164 1.00 0.00 H new ATOM 0 HA VAL A 84 -4.596 2.069 -5.338 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.552 2.508 -6.920 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -1.356 0.593 -5.904 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -2.406 1.420 -4.730 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.918 -0.126 -5.447 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.928 0.550 -8.276 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.514 -0.182 -7.934 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -3.413 1.329 -8.870 1.00 0.00 H new ATOM 1368 N ALA A 85 -5.327 2.953 -8.424 1.00 0.00 N ATOM 1369 CA ALA A 85 -5.777 4.056 -9.268 1.00 0.00 C ATOM 1370 C ALA A 85 -6.957 4.805 -8.646 1.00 0.00 C ATOM 1371 O ALA A 85 -7.024 6.032 -8.710 1.00 0.00 O ATOM 1372 CB ALA A 85 -6.154 3.541 -10.649 1.00 0.00 C ATOM 0 H ALA A 85 -5.313 2.048 -8.894 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.949 4.760 -9.358 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.488 4.373 -11.269 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.286 3.070 -11.111 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.958 2.811 -10.558 1.00 0.00 H new ATOM 1378 N TYR A 86 -7.879 4.069 -8.036 1.00 0.00 N ATOM 1379 CA TYR A 86 -9.055 4.682 -7.430 1.00 0.00 C ATOM 1380 C TYR A 86 -8.691 5.402 -6.136 1.00 0.00 C ATOM 1381 O TYR A 86 -9.056 6.565 -5.940 1.00 0.00 O ATOM 1382 CB TYR A 86 -10.136 3.633 -7.165 1.00 0.00 C ATOM 1383 CG TYR A 86 -11.396 4.211 -6.564 1.00 0.00 C ATOM 1384 CD1 TYR A 86 -12.269 4.967 -7.333 1.00 0.00 C ATOM 1385 CD2 TYR A 86 -11.708 4.006 -5.228 1.00 0.00 C ATOM 1386 CE1 TYR A 86 -13.415 5.503 -6.787 1.00 0.00 C ATOM 1387 CE2 TYR A 86 -12.856 4.537 -4.675 1.00 0.00 C ATOM 1388 CZ TYR A 86 -13.705 5.285 -5.459 1.00 0.00 C ATOM 1389 OH TYR A 86 -14.846 5.824 -4.916 1.00 0.00 O ATOM 0 H TYR A 86 -7.836 3.054 -7.948 1.00 0.00 H new ATOM 0 HA TYR A 86 -9.447 5.417 -8.133 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -10.385 3.133 -8.101 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -9.737 2.872 -6.494 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -12.047 5.138 -8.376 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -11.042 3.422 -4.611 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -14.083 6.092 -7.398 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -13.087 4.367 -3.634 1.00 0.00 H new ATOM 0 HH TYR A 86 -15.166 5.249 -4.190 1.00 0.00 H new ATOM 1399 N TYR A 87 -7.949 4.722 -5.266 1.00 0.00 N ATOM 1400 CA TYR A 87 -7.588 5.279 -3.962 1.00 0.00 C ATOM 1401 C TYR A 87 -6.590 6.424 -4.104 1.00 0.00 C ATOM 1402 O TYR A 87 -6.315 7.143 -3.141 1.00 0.00 O ATOM 1403 CB TYR A 87 -7.010 4.195 -3.042 1.00 0.00 C ATOM 1404 CG TYR A 87 -8.026 3.199 -2.517 1.00 0.00 C ATOM 1405 CD1 TYR A 87 -9.115 2.798 -3.278 1.00 0.00 C ATOM 1406 CD2 TYR A 87 -7.888 2.657 -1.247 1.00 0.00 C ATOM 1407 CE1 TYR A 87 -10.032 1.886 -2.790 1.00 0.00 C ATOM 1408 CE2 TYR A 87 -8.799 1.743 -0.755 1.00 0.00 C ATOM 1409 CZ TYR A 87 -9.865 1.360 -1.527 1.00 0.00 C ATOM 1410 OH TYR A 87 -10.770 0.449 -1.035 1.00 0.00 O ATOM 0 H TYR A 87 -7.585 3.785 -5.439 1.00 0.00 H new ATOM 0 HA TYR A 87 -8.501 5.671 -3.514 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -6.237 3.652 -3.585 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -6.524 4.679 -2.194 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -9.248 3.206 -4.269 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -7.052 2.956 -0.632 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -10.875 1.587 -3.395 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -8.672 1.331 0.235 1.00 0.00 H new ATOM 0 HH TYR A 87 -10.318 -0.158 -0.413 1.00 0.00 H new ATOM 1420 N SER A 88 -6.045 6.589 -5.304 1.00 0.00 N ATOM 1421 CA SER A 88 -5.139 7.689 -5.591 1.00 0.00 C ATOM 1422 C SER A 88 -5.906 9.011 -5.610 1.00 0.00 C ATOM 1423 O SER A 88 -5.324 10.090 -5.479 1.00 0.00 O ATOM 1424 CB SER A 88 -4.438 7.462 -6.936 1.00 0.00 C ATOM 1425 OG SER A 88 -3.359 8.369 -7.117 1.00 0.00 O ATOM 0 H SER A 88 -6.218 5.970 -6.096 1.00 0.00 H new ATOM 0 HA SER A 88 -4.383 7.734 -4.807 1.00 0.00 H new ATOM 0 HB2 SER A 88 -4.067 6.438 -6.987 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.156 7.582 -7.747 1.00 0.00 H new ATOM 0 HG SER A 88 -2.907 8.515 -6.260 1.00 0.00 H new ATOM 1431 N LYS A 89 -7.219 8.918 -5.777 1.00 0.00 N ATOM 1432 CA LYS A 89 -8.074 10.093 -5.760 1.00 0.00 C ATOM 1433 C LYS A 89 -9.033 10.016 -4.585 1.00 0.00 C ATOM 1434 O LYS A 89 -9.124 10.937 -3.775 1.00 0.00 O ATOM 1435 CB LYS A 89 -8.854 10.208 -7.070 1.00 0.00 C ATOM 1436 CG LYS A 89 -7.966 10.332 -8.293 1.00 0.00 C ATOM 1437 CD LYS A 89 -8.789 10.433 -9.563 1.00 0.00 C ATOM 1438 CE LYS A 89 -7.905 10.541 -10.792 1.00 0.00 C ATOM 1439 NZ LYS A 89 -8.701 10.632 -12.042 1.00 0.00 N ATOM 0 H LYS A 89 -7.714 8.038 -5.926 1.00 0.00 H new ATOM 0 HA LYS A 89 -7.449 10.979 -5.653 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -9.493 9.332 -7.182 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -9.511 11.076 -7.018 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -7.332 11.213 -8.197 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -7.304 9.468 -8.354 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -9.432 9.557 -9.652 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -9.442 11.304 -9.506 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -7.267 11.420 -10.704 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -7.247 9.673 -10.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -8.060 10.704 -12.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -9.291 9.782 -12.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -9.310 11.474 -12.005 1.00 0.00 H new ATOM 1453 N HIS A 90 -9.734 8.899 -4.491 1.00 0.00 N ATOM 1454 CA HIS A 90 -10.676 8.673 -3.419 1.00 0.00 C ATOM 1455 C HIS A 90 -10.217 7.487 -2.581 1.00 0.00 C ATOM 1456 O HIS A 90 -10.367 6.338 -2.988 1.00 0.00 O ATOM 1457 CB HIS A 90 -12.072 8.418 -3.995 1.00 0.00 C ATOM 1458 CG HIS A 90 -13.145 8.427 -2.956 1.00 0.00 C ATOM 1459 ND1 HIS A 90 -14.218 7.564 -2.962 1.00 0.00 N ATOM 1460 CD2 HIS A 90 -13.303 9.218 -1.877 1.00 0.00 C ATOM 1461 CE1 HIS A 90 -14.993 7.827 -1.927 1.00 0.00 C ATOM 1462 NE2 HIS A 90 -14.459 8.827 -1.250 1.00 0.00 N ATOM 0 H HIS A 90 -9.663 8.128 -5.155 1.00 0.00 H new ATOM 0 HA HIS A 90 -10.723 9.557 -2.783 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -12.294 9.178 -4.744 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -12.077 7.455 -4.506 1.00 0.00 H new ATOM 0 HD1 HIS A 90 -14.387 6.836 -3.657 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -12.642 10.013 -1.564 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -15.909 7.312 -1.676 1.00 0.00 H new ATOM 1471 N ALA A 91 -9.658 7.774 -1.413 1.00 0.00 N ATOM 1472 CA ALA A 91 -9.119 6.737 -0.541 1.00 0.00 C ATOM 1473 C ALA A 91 -10.241 5.878 0.034 1.00 0.00 C ATOM 1474 O ALA A 91 -10.033 4.714 0.382 1.00 0.00 O ATOM 1475 CB ALA A 91 -8.307 7.364 0.576 1.00 0.00 C ATOM 0 H ALA A 91 -9.565 8.721 -1.046 1.00 0.00 H new ATOM 0 HA ALA A 91 -8.466 6.094 -1.131 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -7.909 6.580 1.221 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -7.483 7.936 0.150 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -8.944 8.027 1.161 1.00 0.00 H new ATOM 1481 N ASP A 92 -11.423 6.492 0.148 1.00 0.00 N ATOM 1482 CA ASP A 92 -12.651 5.810 0.576 1.00 0.00 C ATOM 1483 C ASP A 92 -12.596 5.434 2.056 1.00 0.00 C ATOM 1484 O ASP A 92 -13.255 6.061 2.888 1.00 0.00 O ATOM 1485 CB ASP A 92 -12.926 4.566 -0.281 1.00 0.00 C ATOM 1486 CG ASP A 92 -14.275 3.940 0.024 1.00 0.00 C ATOM 1487 OD1 ASP A 92 -14.354 3.083 0.924 1.00 0.00 O ATOM 1488 OD2 ASP A 92 -15.268 4.314 -0.635 1.00 0.00 O ATOM 0 H ASP A 92 -11.557 7.483 -0.055 1.00 0.00 H new ATOM 0 HA ASP A 92 -13.473 6.512 0.435 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -12.885 4.838 -1.336 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -12.140 3.830 -0.111 1.00 0.00 H new ATOM 1493 N GLY A 93 -11.810 4.420 2.377 1.00 0.00 N ATOM 1494 CA GLY A 93 -11.669 3.994 3.755 1.00 0.00 C ATOM 1495 C GLY A 93 -10.501 4.671 4.435 1.00 0.00 C ATOM 1496 O GLY A 93 -10.639 5.210 5.532 1.00 0.00 O ATOM 0 H GLY A 93 -11.264 3.881 1.705 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -12.586 4.217 4.300 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -11.533 2.913 3.789 1.00 0.00 H new ATOM 1500 N LEU A 94 -9.350 4.636 3.774 1.00 0.00 N ATOM 1501 CA LEU A 94 -8.146 5.289 4.265 1.00 0.00 C ATOM 1502 C LEU A 94 -8.366 6.791 4.399 1.00 0.00 C ATOM 1503 O LEU A 94 -9.087 7.401 3.608 1.00 0.00 O ATOM 1504 CB LEU A 94 -6.970 5.042 3.304 1.00 0.00 C ATOM 1505 CG LEU A 94 -6.589 3.579 3.054 1.00 0.00 C ATOM 1506 CD1 LEU A 94 -7.569 2.908 2.108 1.00 0.00 C ATOM 1507 CD2 LEU A 94 -5.174 3.483 2.505 1.00 0.00 C ATOM 0 H LEU A 94 -9.227 4.154 2.883 1.00 0.00 H new ATOM 0 HA LEU A 94 -7.914 4.868 5.243 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.211 5.501 2.345 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -6.095 5.561 3.695 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.631 3.056 4.009 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.271 1.871 1.951 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -8.569 2.937 2.540 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.571 3.434 1.153 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.920 2.437 2.334 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.111 4.031 1.565 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -4.475 3.913 3.223 1.00 0.00 H new ATOM 1519 N CYS A 95 -7.754 7.375 5.418 1.00 0.00 N ATOM 1520 CA CYS A 95 -7.745 8.820 5.582 1.00 0.00 C ATOM 1521 C CYS A 95 -6.782 9.434 4.575 1.00 0.00 C ATOM 1522 O CYS A 95 -7.059 10.478 3.983 1.00 0.00 O ATOM 1523 CB CYS A 95 -7.331 9.189 7.011 1.00 0.00 C ATOM 1524 SG CYS A 95 -7.234 10.967 7.333 1.00 0.00 S ATOM 0 H CYS A 95 -7.254 6.867 6.148 1.00 0.00 H new ATOM 0 HA CYS A 95 -8.747 9.211 5.405 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -8.043 8.745 7.707 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -6.359 8.742 7.220 1.00 0.00 H new ATOM 0 HG CYS A 95 -6.879 11.166 8.568 1.00 0.00 H new ATOM 1530 N HIS A 96 -5.658 8.760 4.370 1.00 0.00 N ATOM 1531 CA HIS A 96 -4.651 9.218 3.427 1.00 0.00 C ATOM 1532 C HIS A 96 -4.930 8.648 2.045 1.00 0.00 C ATOM 1533 O HIS A 96 -4.997 7.433 1.870 1.00 0.00 O ATOM 1534 CB HIS A 96 -3.247 8.796 3.873 1.00 0.00 C ATOM 1535 CG HIS A 96 -2.843 9.308 5.221 1.00 0.00 C ATOM 1536 ND1 HIS A 96 -2.324 10.566 5.389 1.00 0.00 N ATOM 1537 CD2 HIS A 96 -2.873 8.679 6.420 1.00 0.00 C ATOM 1538 CE1 HIS A 96 -2.048 10.674 6.677 1.00 0.00 C ATOM 1539 NE2 HIS A 96 -2.362 9.554 7.346 1.00 0.00 N ATOM 0 H HIS A 96 -5.422 7.890 4.848 1.00 0.00 H new ATOM 0 HA HIS A 96 -4.696 10.307 3.392 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -3.194 7.707 3.881 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -2.525 9.145 3.135 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -3.231 7.678 6.611 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -1.622 11.555 7.135 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -2.244 9.386 8.345 1.00 0.00 H new ATOM 1547 N ARG A 97 -5.107 9.528 1.073 1.00 0.00 N ATOM 1548 CA ARG A 97 -5.299 9.108 -0.304 1.00 0.00 C ATOM 1549 C ARG A 97 -3.942 8.812 -0.931 1.00 0.00 C ATOM 1550 O ARG A 97 -2.944 9.450 -0.585 1.00 0.00 O ATOM 1551 CB ARG A 97 -6.055 10.185 -1.107 1.00 0.00 C ATOM 1552 CG ARG A 97 -5.233 11.418 -1.486 1.00 0.00 C ATOM 1553 CD ARG A 97 -4.747 12.206 -0.274 1.00 0.00 C ATOM 1554 NE ARG A 97 -5.835 12.585 0.627 1.00 0.00 N ATOM 1555 CZ ARG A 97 -5.660 12.878 1.919 1.00 0.00 C ATOM 1556 NH1 ARG A 97 -4.444 12.860 2.454 1.00 0.00 N ATOM 1557 NH2 ARG A 97 -6.700 13.205 2.676 1.00 0.00 N ATOM 0 H ARG A 97 -5.122 10.538 1.213 1.00 0.00 H new ATOM 0 HA ARG A 97 -5.906 8.203 -0.322 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -6.439 9.730 -2.020 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -6.918 10.509 -0.525 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -4.373 11.106 -2.078 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -5.836 12.070 -2.118 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -4.018 11.609 0.274 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -4.232 13.105 -0.613 1.00 0.00 H new ATOM 0 HE ARG A 97 -6.781 12.628 0.248 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -3.637 12.622 1.878 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -4.318 13.085 3.441 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -7.636 13.233 2.272 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -6.563 13.428 3.662 1.00 0.00 H new ATOM 1571 N LEU A 98 -3.905 7.840 -1.832 1.00 0.00 N ATOM 1572 CA LEU A 98 -2.656 7.420 -2.460 1.00 0.00 C ATOM 1573 C LEU A 98 -2.135 8.510 -3.388 1.00 0.00 C ATOM 1574 O LEU A 98 -2.394 8.501 -4.591 1.00 0.00 O ATOM 1575 CB LEU A 98 -2.860 6.113 -3.231 1.00 0.00 C ATOM 1576 CG LEU A 98 -3.401 4.942 -2.403 1.00 0.00 C ATOM 1577 CD1 LEU A 98 -3.508 3.694 -3.260 1.00 0.00 C ATOM 1578 CD2 LEU A 98 -2.516 4.675 -1.194 1.00 0.00 C ATOM 0 H LEU A 98 -4.727 7.325 -2.146 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.915 7.249 -1.679 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.547 6.301 -4.057 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -1.907 5.817 -3.670 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.395 5.211 -2.046 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.894 2.871 -2.658 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.185 3.882 -4.094 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.523 3.431 -3.645 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -2.922 3.840 -0.623 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -1.508 4.430 -1.528 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -2.484 5.563 -0.563 1.00 0.00 H new ATOM 1590 N THR A 99 -1.397 9.446 -2.816 1.00 0.00 N ATOM 1591 CA THR A 99 -0.942 10.619 -3.542 1.00 0.00 C ATOM 1592 C THR A 99 0.251 10.291 -4.435 1.00 0.00 C ATOM 1593 O THR A 99 0.199 10.460 -5.656 1.00 0.00 O ATOM 1594 CB THR A 99 -0.550 11.736 -2.558 1.00 0.00 C ATOM 1595 OG1 THR A 99 -1.558 11.863 -1.545 1.00 0.00 O ATOM 1596 CG2 THR A 99 -0.383 13.066 -3.279 1.00 0.00 C ATOM 0 H THR A 99 -1.098 9.415 -1.841 1.00 0.00 H new ATOM 0 HA THR A 99 -1.765 10.957 -4.172 1.00 0.00 H new ATOM 0 HB THR A 99 0.403 11.470 -2.101 1.00 0.00 H new ATOM 0 HG1 THR A 99 -1.305 12.573 -0.919 1.00 0.00 H new ATOM 0 HG21 THR A 99 -0.106 13.837 -2.560 1.00 0.00 H new ATOM 0 HG22 THR A 99 0.399 12.975 -4.033 1.00 0.00 H new ATOM 0 HG23 THR A 99 -1.322 13.339 -3.761 1.00 0.00 H new ATOM 1604 N ASN A 100 1.315 9.806 -3.820 1.00 0.00 N ATOM 1605 CA ASN A 100 2.538 9.499 -4.536 1.00 0.00 C ATOM 1606 C ASN A 100 3.043 8.127 -4.133 1.00 0.00 C ATOM 1607 O ASN A 100 2.909 7.719 -2.979 1.00 0.00 O ATOM 1608 CB ASN A 100 3.610 10.564 -4.257 1.00 0.00 C ATOM 1609 CG ASN A 100 3.945 10.693 -2.779 1.00 0.00 C ATOM 1610 OD1 ASN A 100 3.315 11.466 -2.057 1.00 0.00 O ATOM 1611 ND2 ASN A 100 4.944 9.951 -2.323 1.00 0.00 N ATOM 0 H ASN A 100 1.355 9.616 -2.819 1.00 0.00 H new ATOM 0 HA ASN A 100 2.325 9.499 -5.605 1.00 0.00 H new ATOM 0 HB2 ASN A 100 4.516 10.314 -4.809 1.00 0.00 H new ATOM 0 HB3 ASN A 100 3.264 11.527 -4.631 1.00 0.00 H new ATOM 0 HD21 ASN A 100 5.215 10.009 -1.341 1.00 0.00 H new ATOM 0 HD22 ASN A 100 5.441 9.322 -2.954 1.00 0.00 H new ATOM 1618 N VAL A 101 3.604 7.405 -5.083 1.00 0.00 N ATOM 1619 CA VAL A 101 4.135 6.085 -4.803 1.00 0.00 C ATOM 1620 C VAL A 101 5.539 6.217 -4.219 1.00 0.00 C ATOM 1621 O VAL A 101 6.237 7.203 -4.474 1.00 0.00 O ATOM 1622 CB VAL A 101 4.174 5.196 -6.067 1.00 0.00 C ATOM 1623 CG1 VAL A 101 4.283 3.728 -5.684 1.00 0.00 C ATOM 1624 CG2 VAL A 101 2.947 5.431 -6.938 1.00 0.00 C ATOM 0 H VAL A 101 3.704 7.708 -6.052 1.00 0.00 H new ATOM 0 HA VAL A 101 3.473 5.603 -4.084 1.00 0.00 H new ATOM 0 HB VAL A 101 5.056 5.470 -6.645 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.309 3.117 -6.587 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.197 3.568 -5.111 1.00 0.00 H new ATOM 0 HG13 VAL A 101 3.421 3.445 -5.079 1.00 0.00 H new ATOM 0 HG21 VAL A 101 3.000 4.793 -7.820 1.00 0.00 H new ATOM 0 HG22 VAL A 101 2.047 5.192 -6.371 1.00 0.00 H new ATOM 0 HG23 VAL A 101 2.915 6.476 -7.247 1.00 0.00 H new ATOM 1634 N CYS A 102 5.921 5.238 -3.414 1.00 0.00 N ATOM 1635 CA CYS A 102 7.228 5.209 -2.775 1.00 0.00 C ATOM 1636 C CYS A 102 8.352 5.255 -3.808 1.00 0.00 C ATOM 1637 O CYS A 102 8.249 4.647 -4.876 1.00 0.00 O ATOM 1638 CB CYS A 102 7.347 3.940 -1.925 1.00 0.00 C ATOM 1639 SG CYS A 102 8.936 3.739 -1.092 1.00 0.00 S ATOM 0 H CYS A 102 5.331 4.438 -3.184 1.00 0.00 H new ATOM 0 HA CYS A 102 7.324 6.090 -2.140 1.00 0.00 H new ATOM 0 HB2 CYS A 102 6.557 3.946 -1.175 1.00 0.00 H new ATOM 0 HB3 CYS A 102 7.174 3.074 -2.563 1.00 0.00 H new ATOM 0 HG CYS A 102 9.891 3.731 -1.974 1.00 0.00 H new ATOM 1645 N PRO A 103 9.427 6.012 -3.509 1.00 0.00 N ATOM 1646 CA PRO A 103 10.640 6.023 -4.331 1.00 0.00 C ATOM 1647 C PRO A 103 11.346 4.670 -4.290 1.00 0.00 C ATOM 1648 O PRO A 103 10.919 3.779 -3.554 1.00 0.00 O ATOM 1649 CB PRO A 103 11.506 7.111 -3.688 1.00 0.00 C ATOM 1650 CG PRO A 103 11.008 7.223 -2.290 1.00 0.00 C ATOM 1651 CD PRO A 103 9.537 6.920 -2.352 1.00 0.00 C ATOM 0 HA PRO A 103 10.431 6.215 -5.383 1.00 0.00 H new ATOM 0 HB2 PRO A 103 12.562 6.840 -3.711 1.00 0.00 H new ATOM 0 HB3 PRO A 103 11.409 8.058 -4.219 1.00 0.00 H new ATOM 0 HG2 PRO A 103 11.524 6.522 -1.634 1.00 0.00 H new ATOM 0 HG3 PRO A 103 11.185 8.222 -1.891 1.00 0.00 H new ATOM 0 HD2 PRO A 103 9.184 6.448 -1.435 1.00 0.00 H new ATOM 0 HD3 PRO A 103 8.945 7.825 -2.493 1.00 0.00 H new ATOM 1659 N THR A 104 12.430 4.534 -5.062 1.00 0.00 N ATOM 1660 CA THR A 104 13.145 3.257 -5.242 1.00 0.00 C ATOM 1661 C THR A 104 12.202 2.177 -5.780 1.00 0.00 C ATOM 1662 O THR A 104 11.054 2.460 -6.128 1.00 0.00 O ATOM 1663 CB THR A 104 13.826 2.758 -3.945 1.00 0.00 C ATOM 1664 OG1 THR A 104 12.855 2.293 -3.018 1.00 0.00 O ATOM 1665 CG2 THR A 104 14.657 3.860 -3.304 1.00 0.00 C ATOM 0 H THR A 104 12.841 5.308 -5.584 1.00 0.00 H new ATOM 0 HA THR A 104 13.934 3.450 -5.969 1.00 0.00 H new ATOM 0 HB THR A 104 14.487 1.934 -4.215 1.00 0.00 H new ATOM 0 HG1 THR A 104 12.239 3.022 -2.796 1.00 0.00 H new ATOM 0 HG21 THR A 104 15.124 3.481 -2.395 1.00 0.00 H new ATOM 0 HG22 THR A 104 15.430 4.185 -4.001 1.00 0.00 H new ATOM 0 HG23 THR A 104 14.013 4.704 -3.057 1.00 0.00 H new ATOM 1673 N SER A 105 12.701 0.955 -5.906 1.00 0.00 N ATOM 1674 CA SER A 105 11.858 -0.164 -6.307 1.00 0.00 C ATOM 1675 C SER A 105 12.427 -1.486 -5.811 1.00 0.00 C ATOM 1676 O SER A 105 11.766 -2.524 -5.867 1.00 0.00 O ATOM 1677 CB SER A 105 11.680 -0.185 -7.828 1.00 0.00 C ATOM 1678 OG SER A 105 12.932 -0.105 -8.494 1.00 0.00 O ATOM 0 H SER A 105 13.678 0.714 -5.738 1.00 0.00 H new ATOM 0 HA SER A 105 10.879 -0.030 -5.848 1.00 0.00 H new ATOM 0 HB2 SER A 105 11.166 -1.099 -8.124 1.00 0.00 H new ATOM 0 HB3 SER A 105 11.049 0.649 -8.134 1.00 0.00 H new ATOM 0 HG SER A 105 12.789 -0.122 -9.463 1.00 0.00 H new ATOM 1684 N LYS A 106 13.647 -1.421 -5.315 1.00 0.00 N ATOM 1685 CA LYS A 106 14.347 -2.579 -4.782 1.00 0.00 C ATOM 1686 C LYS A 106 15.731 -2.156 -4.315 1.00 0.00 C ATOM 1687 O LYS A 106 16.663 -2.152 -5.147 1.00 0.00 O ATOM 1688 CB LYS A 106 14.482 -3.685 -5.833 1.00 0.00 C ATOM 1689 CG LYS A 106 14.989 -5.001 -5.264 1.00 0.00 C ATOM 1690 CD LYS A 106 15.197 -6.034 -6.354 1.00 0.00 C ATOM 1691 CE LYS A 106 16.363 -5.668 -7.258 1.00 0.00 C ATOM 1692 NZ LYS A 106 17.642 -5.585 -6.506 1.00 0.00 N ATOM 1693 OXT LYS A 106 15.878 -1.797 -3.137 1.00 0.00 O ATOM 0 H LYS A 106 14.187 -0.557 -5.269 1.00 0.00 H new ATOM 0 HA LYS A 106 13.768 -2.974 -3.947 1.00 0.00 H new ATOM 0 HB2 LYS A 106 13.512 -3.850 -6.302 1.00 0.00 H new ATOM 0 HB3 LYS A 106 15.162 -3.350 -6.616 1.00 0.00 H new ATOM 0 HG2 LYS A 106 15.928 -4.833 -4.737 1.00 0.00 H new ATOM 0 HG3 LYS A 106 14.276 -5.381 -4.532 1.00 0.00 H new ATOM 0 HD2 LYS A 106 15.379 -7.009 -5.902 1.00 0.00 H new ATOM 0 HD3 LYS A 106 14.288 -6.123 -6.950 1.00 0.00 H new ATOM 0 HE2 LYS A 106 16.455 -6.411 -8.050 1.00 0.00 H new ATOM 0 HE3 LYS A 106 16.162 -4.711 -7.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 18.440 -5.621 -7.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 17.675 -4.691 -5.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 17.708 -6.384 -5.844 1.00 0.00 H new TER 1707 LYS A 106