USER MOD reduce.3.24.130724 H: found=0, std=0, add=956, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 954 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 51 LYS NZ :NH3+ -170:sc= 1.2 (180deg=-0.00411) USER MOD Set 1.2: A 61 GLN : amide:sc= -1.19! C(o=0.00079!,f=-11!) USER MOD Set 2.1: A 46 THR OG1 : rot 180:sc= -0.0905 USER MOD Set 2.2: A 47 ASN : amide:sc=0.000471 K(o=-0.09,f=-1.1) USER MOD Set 3.1: A 24 MET CE :methyl -133:sc= -0.946 (180deg=-0.169) USER MOD Set 3.2: A 27 TYR OH : rot 179:sc= 0.38 USER MOD Set 3.3: A 60 HIS : no HE2:sc= -1.58 K(o=-2.1,f=-3.4) USER MOD Set 4.1: A 14 THR OG1 : rot -20:sc= 0.544 USER MOD Set 4.2: A 16 SER OG : rot 180:sc= 0.0489 USER MOD Single : A 21 SER OG : rot -22:sc= 1.14 USER MOD Single : A 23 LYS NZ :NH3+ -112:sc= 0.799! (180deg=-3.8!) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN : amide:sc= -0.0146 K(o=-0.015,f=-1.6) USER MOD Single : A 28 THR OG1 : rot 92:sc= 0.646 USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 32 MET CE :methyl 172:sc= 0 (180deg=-0.0916) USER MOD Single : A 36 TYR OH : rot -170:sc= 1.21 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.00631 USER MOD Single : A 41 LYS NZ :NH3+ 175:sc= -0.506! (180deg=-0.639!) USER MOD Single : A 44 GLN : amide:sc= -0.0481 X(o=-0.048,f=-0.31) USER MOD Single : A 45 MET CE :methyl 155:sc= -0.0959 (180deg=-0.338) USER MOD Single : A 62 LYS NZ :NH3+ 174:sc= 1.87 (180deg=1.8) USER MOD Single : A 66 TYR OH : rot -104:sc= 1.05 USER MOD Single : A 67 SER OG : rot 82:sc= 0.207 USER MOD Single : A 72 LYS NZ :NH3+ -115:sc= 1.22 (180deg=-0.17) USER MOD Single : A 74 GLN : amide:sc= -0.744 K(o=-0.74,f=-4.8!) USER MOD Single : A 76 ASN : amide:sc=-0.00515 K(o=-0.0052,f=0.7) USER MOD Single : A 77 THR OG1 : rot 69:sc= 0.542 USER MOD Single : B 29 MET CE :methyl -177:sc= 0 (180deg=-0.00186) USER MOD Single : B 30 SER OG : rot -105:sc= 1.3 USER MOD Single : B 41 TYR OH : rot 180:sc= 0 USER MOD Single : B 47 HIS : no HE2:sc= 0.161 K(o=0.16,f=-2.5!) USER MOD Single : B 48 ASN : amide:sc= -1.5 K(o=-1.5,f=-4!) USER MOD Single : B 57 SER OG : rot 180:sc= 0.0103 USER MOD Single : B 60 THR OG1 : rot -93:sc= 1.3 USER MOD Single : B 70 GLN : amide:sc= 1.06 K(o=1.1,f=-0.94) USER MOD Single : B 74 HIS : no HE2:sc= 1.03 K(o=1,f=-4.6!) USER MOD Single : B 75 LYS NZ :NH3+ 179:sc= 1.22 (180deg=1.16) USER MOD Single : B 81 THR OG1 : rot 75:sc= -1.25! USER MOD Single : B 83 GLN : amide:sc= -0.0263 K(o=-0.026,f=-1.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 14 -15.227 -5.371 9.865 1.00 0.00 N ATOM 2 CA THR A 14 -15.703 -4.024 9.495 1.00 0.00 C ATOM 3 C THR A 14 -14.686 -3.307 8.606 1.00 0.00 C ATOM 4 O THR A 14 -13.611 -3.838 8.324 1.00 0.00 O ATOM 5 CB THR A 14 -15.977 -3.184 10.754 1.00 0.00 C ATOM 6 OG1 THR A 14 -14.995 -3.475 11.755 1.00 0.00 O ATOM 7 CG2 THR A 14 -17.368 -3.467 11.299 1.00 0.00 C ATOM 0 HA THR A 14 -16.631 -4.141 8.936 1.00 0.00 H new ATOM 0 HB THR A 14 -15.920 -2.129 10.485 1.00 0.00 H new ATOM 0 HG1 THR A 14 -14.576 -4.340 11.561 1.00 0.00 H new ATOM 0 HG21 THR A 14 -17.540 -2.862 12.189 1.00 0.00 H new ATOM 0 HG22 THR A 14 -18.113 -3.219 10.542 1.00 0.00 H new ATOM 0 HG23 THR A 14 -17.450 -4.523 11.557 1.00 0.00 H new ATOM 15 N VAL A 15 -15.041 -2.103 8.169 1.00 0.00 N ATOM 16 CA VAL A 15 -14.183 -1.304 7.297 1.00 0.00 C ATOM 17 C VAL A 15 -12.899 -0.873 8.017 1.00 0.00 C ATOM 18 O VAL A 15 -11.811 -0.914 7.437 1.00 0.00 O ATOM 19 CB VAL A 15 -14.930 -0.054 6.781 1.00 0.00 C ATOM 20 CG1 VAL A 15 -14.167 0.612 5.647 1.00 0.00 C ATOM 21 CG2 VAL A 15 -16.338 -0.418 6.329 1.00 0.00 C ATOM 0 H VAL A 15 -15.926 -1.655 8.407 1.00 0.00 H new ATOM 0 HA VAL A 15 -13.912 -1.933 6.449 1.00 0.00 H new ATOM 0 HB VAL A 15 -15.001 0.656 7.605 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -14.717 1.489 5.304 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -13.182 0.917 6.001 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -14.054 -0.091 4.822 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -16.847 0.476 5.969 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -16.284 -1.153 5.526 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -16.892 -0.838 7.168 1.00 0.00 H new ATOM 31 N SER A 16 -13.036 -0.501 9.290 1.00 0.00 N ATOM 32 CA SER A 16 -11.905 -0.059 10.105 1.00 0.00 C ATOM 33 C SER A 16 -10.809 -1.130 10.166 1.00 0.00 C ATOM 34 O SER A 16 -9.624 -0.826 10.037 1.00 0.00 O ATOM 35 CB SER A 16 -12.395 0.269 11.517 1.00 0.00 C ATOM 36 OG SER A 16 -13.389 -0.657 11.930 1.00 0.00 O ATOM 0 H SER A 16 -13.929 -0.498 9.783 1.00 0.00 H new ATOM 0 HA SER A 16 -11.476 0.832 9.646 1.00 0.00 H new ATOM 0 HB2 SER A 16 -11.557 0.245 12.213 1.00 0.00 H new ATOM 0 HB3 SER A 16 -12.800 1.280 11.541 1.00 0.00 H new ATOM 0 HG SER A 16 -13.689 -0.433 12.836 1.00 0.00 H new ATOM 42 N GLU A 17 -11.229 -2.383 10.354 1.00 0.00 N ATOM 43 CA GLU A 17 -10.314 -3.525 10.433 1.00 0.00 C ATOM 44 C GLU A 17 -9.510 -3.688 9.157 1.00 0.00 C ATOM 45 O GLU A 17 -8.287 -3.838 9.193 1.00 0.00 O ATOM 46 CB GLU A 17 -11.098 -4.814 10.685 1.00 0.00 C ATOM 47 CG GLU A 17 -11.736 -4.872 12.058 1.00 0.00 C ATOM 48 CD GLU A 17 -12.533 -6.138 12.279 1.00 0.00 C ATOM 49 OE1 GLU A 17 -13.566 -6.314 11.606 1.00 0.00 O ATOM 50 OE2 GLU A 17 -12.130 -6.962 13.123 1.00 0.00 O ATOM 0 H GLU A 17 -12.212 -2.635 10.456 1.00 0.00 H new ATOM 0 HA GLU A 17 -9.628 -3.332 11.258 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -11.875 -4.912 9.927 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -10.429 -5.666 10.567 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.959 -4.800 12.819 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -12.389 -4.009 12.187 1.00 0.00 H new ATOM 57 N TRP A 18 -10.202 -3.631 8.027 1.00 0.00 N ATOM 58 CA TRP A 18 -9.564 -3.796 6.731 1.00 0.00 C ATOM 59 C TRP A 18 -8.522 -2.705 6.505 1.00 0.00 C ATOM 60 O TRP A 18 -7.351 -2.990 6.251 1.00 0.00 O ATOM 61 CB TRP A 18 -10.621 -3.774 5.617 1.00 0.00 C ATOM 62 CG TRP A 18 -10.089 -3.394 4.265 1.00 0.00 C ATOM 63 CD1 TRP A 18 -9.140 -4.044 3.532 1.00 0.00 C ATOM 64 CD2 TRP A 18 -10.491 -2.263 3.486 1.00 0.00 C ATOM 65 NE1 TRP A 18 -8.942 -3.395 2.336 1.00 0.00 N ATOM 66 CE2 TRP A 18 -9.762 -2.297 2.285 1.00 0.00 C ATOM 67 CE3 TRP A 18 -11.406 -1.232 3.692 1.00 0.00 C ATOM 68 CZ2 TRP A 18 -9.923 -1.333 1.290 1.00 0.00 C ATOM 69 CZ3 TRP A 18 -11.565 -0.276 2.710 1.00 0.00 C ATOM 70 CH2 TRP A 18 -10.830 -0.334 1.519 1.00 0.00 C ATOM 0 H TRP A 18 -11.208 -3.471 7.983 1.00 0.00 H new ATOM 0 HA TRP A 18 -9.056 -4.760 6.711 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -11.080 -4.760 5.549 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -11.409 -3.074 5.894 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -8.620 -4.937 3.845 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -8.291 -3.683 1.606 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -11.981 -1.182 4.605 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -9.353 -1.373 0.373 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -12.268 0.530 2.862 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -10.982 0.425 0.766 1.00 0.00 H new ATOM 81 N LEU A 19 -8.964 -1.462 6.615 1.00 0.00 N ATOM 82 CA LEU A 19 -8.082 -0.325 6.422 1.00 0.00 C ATOM 83 C LEU A 19 -6.917 -0.374 7.405 1.00 0.00 C ATOM 84 O LEU A 19 -5.778 -0.086 7.043 1.00 0.00 O ATOM 85 CB LEU A 19 -8.848 0.987 6.559 1.00 0.00 C ATOM 86 CG LEU A 19 -9.736 1.340 5.374 1.00 0.00 C ATOM 87 CD1 LEU A 19 -10.851 2.266 5.820 1.00 0.00 C ATOM 88 CD2 LEU A 19 -8.899 1.993 4.292 1.00 0.00 C ATOM 0 H LEU A 19 -9.929 -1.216 6.837 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.679 -0.377 5.411 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.466 0.937 7.455 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -8.132 1.795 6.710 1.00 0.00 H new ATOM 0 HG LEU A 19 -10.185 0.432 4.972 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -11.482 2.514 4.966 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -11.452 1.771 6.583 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -10.422 3.180 6.232 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -9.534 2.246 3.443 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -8.440 2.900 4.685 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -8.120 1.303 3.969 1.00 0.00 H new ATOM 100 N GLU A 20 -7.208 -0.728 8.650 1.00 0.00 N ATOM 101 CA GLU A 20 -6.168 -0.830 9.669 1.00 0.00 C ATOM 102 C GLU A 20 -5.094 -1.854 9.275 1.00 0.00 C ATOM 103 O GLU A 20 -3.900 -1.564 9.370 1.00 0.00 O ATOM 104 CB GLU A 20 -6.772 -1.166 11.041 1.00 0.00 C ATOM 105 CG GLU A 20 -5.734 -1.232 12.150 1.00 0.00 C ATOM 106 CD GLU A 20 -6.349 -1.376 13.527 1.00 0.00 C ATOM 107 OE1 GLU A 20 -6.999 -2.406 13.789 1.00 0.00 O ATOM 108 OE2 GLU A 20 -6.178 -0.459 14.359 1.00 0.00 O ATOM 0 H GLU A 20 -8.148 -0.948 8.978 1.00 0.00 H new ATOM 0 HA GLU A 20 -5.683 0.144 9.743 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -7.520 -0.415 11.296 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -7.290 -2.123 10.979 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -5.067 -2.074 11.966 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -5.123 -0.329 12.123 1.00 0.00 H new ATOM 115 N SER A 21 -5.518 -3.036 8.820 1.00 0.00 N ATOM 116 CA SER A 21 -4.586 -4.093 8.424 1.00 0.00 C ATOM 117 C SER A 21 -3.700 -3.667 7.251 1.00 0.00 C ATOM 118 O SER A 21 -2.499 -3.931 7.245 1.00 0.00 O ATOM 119 CB SER A 21 -5.351 -5.391 8.107 1.00 0.00 C ATOM 120 OG SER A 21 -6.286 -5.230 7.054 1.00 0.00 O ATOM 0 H SER A 21 -6.502 -3.284 8.717 1.00 0.00 H new ATOM 0 HA SER A 21 -3.920 -4.282 9.266 1.00 0.00 H new ATOM 0 HB2 SER A 21 -4.639 -6.172 7.839 1.00 0.00 H new ATOM 0 HB3 SER A 21 -5.873 -5.729 9.003 1.00 0.00 H new ATOM 0 HG SER A 21 -6.520 -4.282 6.967 1.00 0.00 H new ATOM 126 N ILE A 22 -4.258 -2.958 6.280 1.00 0.00 N ATOM 127 CA ILE A 22 -3.463 -2.543 5.131 1.00 0.00 C ATOM 128 C ILE A 22 -2.726 -1.248 5.432 1.00 0.00 C ATOM 129 O ILE A 22 -1.984 -0.733 4.602 1.00 0.00 O ATOM 130 CB ILE A 22 -4.322 -2.418 3.861 1.00 0.00 C ATOM 131 CG1 ILE A 22 -5.401 -1.335 4.014 1.00 0.00 C ATOM 132 CG2 ILE A 22 -4.950 -3.772 3.566 1.00 0.00 C ATOM 133 CD1 ILE A 22 -6.213 -1.086 2.753 1.00 0.00 C ATOM 0 H ILE A 22 -5.234 -2.663 6.262 1.00 0.00 H new ATOM 0 HA ILE A 22 -2.722 -3.319 4.939 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.688 -2.115 3.028 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -6.078 -1.623 4.818 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.924 -0.403 4.317 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.563 -3.701 2.668 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.164 -4.512 3.412 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -5.573 -4.075 4.407 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.952 -0.308 2.944 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.549 -0.766 1.950 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.720 -2.005 2.460 1.00 0.00 H new ATOM 145 N LYS A 23 -2.963 -0.742 6.641 1.00 0.00 N ATOM 146 CA LYS A 23 -2.326 0.465 7.151 1.00 0.00 C ATOM 147 C LYS A 23 -2.838 1.744 6.473 1.00 0.00 C ATOM 148 O LYS A 23 -2.220 2.799 6.593 1.00 0.00 O ATOM 149 CB LYS A 23 -0.796 0.371 7.049 1.00 0.00 C ATOM 150 CG LYS A 23 -0.078 0.735 8.338 1.00 0.00 C ATOM 151 CD LYS A 23 0.042 2.245 8.505 1.00 0.00 C ATOM 152 CE LYS A 23 1.169 2.840 7.661 1.00 0.00 C ATOM 153 NZ LYS A 23 0.707 3.341 6.333 1.00 0.00 N ATOM 0 H LYS A 23 -3.613 -1.168 7.302 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.602 0.534 8.203 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -0.521 -0.644 6.764 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -0.452 1.030 6.252 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -0.618 0.316 9.187 1.00 0.00 H new ATOM 0 HG3 LYS A 23 0.916 0.288 8.340 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -0.902 2.714 8.227 1.00 0.00 H new ATOM 0 HD3 LYS A 23 0.217 2.478 9.555 1.00 0.00 H new ATOM 0 HE2 LYS A 23 1.632 3.660 8.210 1.00 0.00 H new ATOM 0 HE3 LYS A 23 1.939 2.083 7.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 1.102 2.743 5.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -0.332 3.309 6.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 1.028 4.321 6.201 1.00 0.00 H new ATOM 167 N MET A 24 -4.000 1.683 5.827 1.00 0.00 N ATOM 168 CA MET A 24 -4.569 2.867 5.174 1.00 0.00 C ATOM 169 C MET A 24 -5.645 3.458 6.081 1.00 0.00 C ATOM 170 O MET A 24 -6.578 4.120 5.627 1.00 0.00 O ATOM 171 CB MET A 24 -5.166 2.502 3.812 1.00 0.00 C ATOM 172 CG MET A 24 -4.123 2.205 2.748 1.00 0.00 C ATOM 173 SD MET A 24 -3.414 3.698 2.029 1.00 0.00 S ATOM 174 CE MET A 24 -1.778 3.670 2.762 1.00 0.00 C ATOM 0 H MET A 24 -4.564 0.837 5.740 1.00 0.00 H new ATOM 0 HA MET A 24 -3.781 3.601 5.007 1.00 0.00 H new ATOM 0 HB2 MET A 24 -5.811 1.631 3.929 1.00 0.00 H new ATOM 0 HB3 MET A 24 -5.797 3.322 3.470 1.00 0.00 H new ATOM 0 HG2 MET A 24 -3.326 1.604 3.185 1.00 0.00 H new ATOM 0 HG3 MET A 24 -4.577 1.607 1.958 1.00 0.00 H new ATOM 0 HE1 MET A 24 -1.539 4.658 3.156 1.00 0.00 H new ATOM 0 HE2 MET A 24 -1.755 2.941 3.572 1.00 0.00 H new ATOM 0 HE3 MET A 24 -1.045 3.394 2.004 1.00 0.00 H new ATOM 184 N GLN A 25 -5.482 3.215 7.382 1.00 0.00 N ATOM 185 CA GLN A 25 -6.427 3.668 8.411 1.00 0.00 C ATOM 186 C GLN A 25 -6.701 5.164 8.388 1.00 0.00 C ATOM 187 O GLN A 25 -7.819 5.585 8.679 1.00 0.00 O ATOM 188 CB GLN A 25 -5.948 3.280 9.817 1.00 0.00 C ATOM 189 CG GLN A 25 -4.502 3.624 10.147 1.00 0.00 C ATOM 190 CD GLN A 25 -4.170 3.268 11.587 1.00 0.00 C ATOM 191 OE1 GLN A 25 -4.397 4.064 12.496 1.00 0.00 O ATOM 192 NE2 GLN A 25 -3.641 2.073 11.810 1.00 0.00 N ATOM 0 H GLN A 25 -4.688 2.696 7.756 1.00 0.00 H new ATOM 0 HA GLN A 25 -7.361 3.159 8.170 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -6.593 3.769 10.547 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -6.083 2.206 9.942 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -3.834 3.087 9.473 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -4.332 4.688 9.984 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -3.467 1.439 11.030 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -3.408 1.788 12.761 1.00 0.00 H new ATOM 201 N GLN A 26 -5.713 5.969 8.028 1.00 0.00 N ATOM 202 CA GLN A 26 -5.884 7.405 8.015 1.00 0.00 C ATOM 203 C GLN A 26 -6.668 7.878 6.796 1.00 0.00 C ATOM 204 O GLN A 26 -6.669 9.061 6.467 1.00 0.00 O ATOM 205 CB GLN A 26 -4.508 8.072 8.094 1.00 0.00 C ATOM 206 CG GLN A 26 -3.604 7.793 6.898 1.00 0.00 C ATOM 207 CD GLN A 26 -2.432 6.876 7.218 1.00 0.00 C ATOM 208 OE1 GLN A 26 -2.526 5.995 8.072 1.00 0.00 O ATOM 209 NE2 GLN A 26 -1.317 7.076 6.518 1.00 0.00 N ATOM 0 H GLN A 26 -4.788 5.648 7.742 1.00 0.00 H new ATOM 0 HA GLN A 26 -6.475 7.695 8.884 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.645 9.149 8.187 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -4.006 7.735 9.001 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -4.198 7.345 6.102 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -3.220 8.739 6.515 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -1.280 7.818 5.819 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.500 6.488 6.681 1.00 0.00 H new ATOM 218 N TYR A 27 -7.321 6.951 6.119 1.00 0.00 N ATOM 219 CA TYR A 27 -8.139 7.284 4.967 1.00 0.00 C ATOM 220 C TYR A 27 -9.579 6.832 5.199 1.00 0.00 C ATOM 221 O TYR A 27 -10.444 6.993 4.339 1.00 0.00 O ATOM 222 CB TYR A 27 -7.536 6.681 3.693 1.00 0.00 C ATOM 223 CG TYR A 27 -6.228 7.350 3.316 1.00 0.00 C ATOM 224 CD1 TYR A 27 -6.213 8.621 2.753 1.00 0.00 C ATOM 225 CD2 TYR A 27 -5.011 6.729 3.560 1.00 0.00 C ATOM 226 CE1 TYR A 27 -5.023 9.251 2.437 1.00 0.00 C ATOM 227 CE2 TYR A 27 -3.817 7.349 3.243 1.00 0.00 C ATOM 228 CZ TYR A 27 -3.829 8.612 2.686 1.00 0.00 C ATOM 229 OH TYR A 27 -2.642 9.247 2.385 1.00 0.00 O ATOM 0 H TYR A 27 -7.300 5.957 6.348 1.00 0.00 H new ATOM 0 HA TYR A 27 -8.155 8.366 4.832 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -7.369 5.614 3.840 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -8.246 6.782 2.872 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -7.148 9.126 2.559 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -4.997 5.745 4.005 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -5.030 10.238 1.998 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -2.879 6.848 3.430 1.00 0.00 H new ATOM 0 HH TYR A 27 -1.890 8.671 2.635 1.00 0.00 H new ATOM 239 N THR A 28 -9.834 6.316 6.404 1.00 0.00 N ATOM 240 CA THR A 28 -11.164 5.857 6.792 1.00 0.00 C ATOM 241 C THR A 28 -12.117 7.041 6.853 1.00 0.00 C ATOM 242 O THR A 28 -13.292 6.933 6.492 1.00 0.00 O ATOM 243 CB THR A 28 -11.139 5.194 8.182 1.00 0.00 C ATOM 244 OG1 THR A 28 -10.088 4.226 8.258 1.00 0.00 O ATOM 245 CG2 THR A 28 -12.474 4.539 8.508 1.00 0.00 C ATOM 0 H THR A 28 -9.128 6.206 7.132 1.00 0.00 H new ATOM 0 HA THR A 28 -11.494 5.130 6.050 1.00 0.00 H new ATOM 0 HB THR A 28 -10.955 5.977 8.918 1.00 0.00 H new ATOM 0 HG1 THR A 28 -9.278 4.649 8.612 1.00 0.00 H new ATOM 0 HG21 THR A 28 -12.423 4.080 9.496 1.00 0.00 H new ATOM 0 HG22 THR A 28 -13.261 5.293 8.498 1.00 0.00 H new ATOM 0 HG23 THR A 28 -12.695 3.774 7.764 1.00 0.00 H new ATOM 253 N GLU A 29 -11.583 8.177 7.285 1.00 0.00 N ATOM 254 CA GLU A 29 -12.359 9.401 7.415 1.00 0.00 C ATOM 255 C GLU A 29 -12.737 9.969 6.052 1.00 0.00 C ATOM 256 O GLU A 29 -13.325 11.048 5.969 1.00 0.00 O ATOM 257 CB GLU A 29 -11.591 10.469 8.207 1.00 0.00 C ATOM 258 CG GLU A 29 -10.900 9.944 9.452 1.00 0.00 C ATOM 259 CD GLU A 29 -9.464 9.533 9.207 1.00 0.00 C ATOM 260 OE1 GLU A 29 -9.237 8.599 8.413 1.00 0.00 O ATOM 261 OE2 GLU A 29 -8.557 10.149 9.811 1.00 0.00 O ATOM 0 H GLU A 29 -10.604 8.274 7.554 1.00 0.00 H new ATOM 0 HA GLU A 29 -13.268 9.138 7.956 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.845 10.922 7.555 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -12.284 11.259 8.496 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -10.925 10.712 10.225 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -11.456 9.088 9.835 1.00 0.00 H new ATOM 268 N HIS A 30 -12.426 9.241 4.982 1.00 0.00 N ATOM 269 CA HIS A 30 -12.741 9.684 3.636 1.00 0.00 C ATOM 270 C HIS A 30 -13.791 8.736 3.061 1.00 0.00 C ATOM 271 O HIS A 30 -14.755 9.161 2.425 1.00 0.00 O ATOM 272 CB HIS A 30 -11.481 9.682 2.757 1.00 0.00 C ATOM 273 CG HIS A 30 -10.442 10.701 3.149 1.00 0.00 C ATOM 274 ND1 HIS A 30 -9.658 10.605 4.281 1.00 0.00 N ATOM 275 CD2 HIS A 30 -10.046 11.843 2.523 1.00 0.00 C ATOM 276 CE1 HIS A 30 -8.835 11.659 4.307 1.00 0.00 C ATOM 277 NE2 HIS A 30 -9.026 12.441 3.263 1.00 0.00 N ATOM 0 H HIS A 30 -11.954 8.338 5.027 1.00 0.00 H new ATOM 0 HA HIS A 30 -13.125 10.704 3.660 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -11.030 8.690 2.793 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -11.775 9.861 1.723 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -10.456 12.225 1.600 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -8.108 11.845 5.083 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -8.530 13.305 3.042 1.00 0.00 H new ATOM 285 N PHE A 31 -13.598 7.442 3.322 1.00 0.00 N ATOM 286 CA PHE A 31 -14.521 6.408 2.871 1.00 0.00 C ATOM 287 C PHE A 31 -15.912 6.647 3.439 1.00 0.00 C ATOM 288 O PHE A 31 -16.917 6.558 2.727 1.00 0.00 O ATOM 289 CB PHE A 31 -14.029 5.035 3.328 1.00 0.00 C ATOM 290 CG PHE A 31 -12.939 4.469 2.473 1.00 0.00 C ATOM 291 CD1 PHE A 31 -11.611 4.742 2.752 1.00 0.00 C ATOM 292 CD2 PHE A 31 -13.242 3.656 1.398 1.00 0.00 C ATOM 293 CE1 PHE A 31 -10.603 4.217 1.969 1.00 0.00 C ATOM 294 CE2 PHE A 31 -12.240 3.128 0.609 1.00 0.00 C ATOM 295 CZ PHE A 31 -10.919 3.406 0.897 1.00 0.00 C ATOM 0 H PHE A 31 -12.801 7.086 3.849 1.00 0.00 H new ATOM 0 HA PHE A 31 -14.566 6.443 1.783 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -13.670 5.111 4.355 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -14.870 4.342 3.335 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -11.361 5.373 3.592 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -14.274 3.431 1.172 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -9.570 4.440 2.194 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -12.489 2.498 -0.232 1.00 0.00 H new ATOM 0 HZ PHE A 31 -10.133 2.990 0.284 1.00 0.00 H new ATOM 305 N MET A 32 -15.956 6.956 4.728 1.00 0.00 N ATOM 306 CA MET A 32 -17.209 7.208 5.426 1.00 0.00 C ATOM 307 C MET A 32 -17.950 8.420 4.853 1.00 0.00 C ATOM 308 O MET A 32 -19.176 8.497 4.951 1.00 0.00 O ATOM 309 CB MET A 32 -16.953 7.468 6.909 1.00 0.00 C ATOM 310 CG MET A 32 -16.321 6.313 7.690 1.00 0.00 C ATOM 311 SD MET A 32 -17.142 4.718 7.468 1.00 0.00 S ATOM 312 CE MET A 32 -16.039 3.622 8.377 1.00 0.00 C ATOM 0 H MET A 32 -15.127 7.039 5.317 1.00 0.00 H new ATOM 0 HA MET A 32 -17.824 6.318 5.293 1.00 0.00 H new ATOM 0 HB2 MET A 32 -16.305 8.340 6.999 1.00 0.00 H new ATOM 0 HB3 MET A 32 -17.901 7.726 7.382 1.00 0.00 H new ATOM 0 HG2 MET A 32 -15.278 6.215 7.388 1.00 0.00 H new ATOM 0 HG3 MET A 32 -16.324 6.564 8.751 1.00 0.00 H new ATOM 0 HE1 MET A 32 -16.488 2.632 8.449 1.00 0.00 H new ATOM 0 HE2 MET A 32 -15.085 3.550 7.854 1.00 0.00 H new ATOM 0 HE3 MET A 32 -15.875 4.020 9.378 1.00 0.00 H new ATOM 322 N ALA A 33 -17.216 9.360 4.259 1.00 0.00 N ATOM 323 CA ALA A 33 -17.836 10.563 3.707 1.00 0.00 C ATOM 324 C ALA A 33 -18.482 10.273 2.372 1.00 0.00 C ATOM 325 O ALA A 33 -19.520 10.836 2.027 1.00 0.00 O ATOM 326 CB ALA A 33 -16.824 11.679 3.533 1.00 0.00 C ATOM 0 H ALA A 33 -16.203 9.313 4.148 1.00 0.00 H new ATOM 0 HA ALA A 33 -18.597 10.883 4.418 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -17.319 12.558 3.121 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -16.388 11.929 4.500 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -16.037 11.354 2.853 1.00 0.00 H new ATOM 332 N ALA A 34 -17.843 9.405 1.611 1.00 0.00 N ATOM 333 CA ALA A 34 -18.342 9.029 0.304 1.00 0.00 C ATOM 334 C ALA A 34 -19.573 8.138 0.437 1.00 0.00 C ATOM 335 O ALA A 34 -20.422 8.095 -0.454 1.00 0.00 O ATOM 336 CB ALA A 34 -17.255 8.320 -0.475 1.00 0.00 C ATOM 0 H ALA A 34 -16.973 8.945 1.878 1.00 0.00 H new ATOM 0 HA ALA A 34 -18.633 9.930 -0.236 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -17.635 8.039 -1.457 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -16.400 8.985 -0.594 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -16.946 7.424 0.064 1.00 0.00 H new ATOM 342 N GLY A 35 -19.655 7.428 1.556 1.00 0.00 N ATOM 343 CA GLY A 35 -20.786 6.555 1.806 1.00 0.00 C ATOM 344 C GLY A 35 -20.404 5.089 1.904 1.00 0.00 C ATOM 345 O GLY A 35 -21.270 4.216 1.855 1.00 0.00 O ATOM 0 H GLY A 35 -18.955 7.442 2.298 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -21.273 6.859 2.733 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -21.516 6.680 1.007 1.00 0.00 H new ATOM 349 N TYR A 36 -19.113 4.807 2.048 1.00 0.00 N ATOM 350 CA TYR A 36 -18.647 3.429 2.157 1.00 0.00 C ATOM 351 C TYR A 36 -18.454 3.060 3.622 1.00 0.00 C ATOM 352 O TYR A 36 -17.332 2.910 4.102 1.00 0.00 O ATOM 353 CB TYR A 36 -17.349 3.240 1.363 1.00 0.00 C ATOM 354 CG TYR A 36 -17.512 3.556 -0.107 1.00 0.00 C ATOM 355 CD1 TYR A 36 -18.199 2.692 -0.947 1.00 0.00 C ATOM 356 CD2 TYR A 36 -17.001 4.727 -0.651 1.00 0.00 C ATOM 357 CE1 TYR A 36 -18.374 2.982 -2.284 1.00 0.00 C ATOM 358 CE2 TYR A 36 -17.170 5.024 -1.991 1.00 0.00 C ATOM 359 CZ TYR A 36 -17.858 4.148 -2.802 1.00 0.00 C ATOM 360 OH TYR A 36 -18.042 4.440 -4.135 1.00 0.00 O ATOM 0 H TYR A 36 -18.375 5.510 2.092 1.00 0.00 H new ATOM 0 HA TYR A 36 -19.399 2.763 1.732 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -16.574 3.880 1.784 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -17.007 2.211 1.473 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -18.605 1.775 -0.546 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -16.463 5.417 -0.018 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -18.913 2.297 -2.922 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -16.765 5.938 -2.400 1.00 0.00 H new ATOM 0 HH TYR A 36 -17.488 5.210 -4.381 1.00 0.00 H new ATOM 370 N THR A 37 -19.572 2.919 4.320 1.00 0.00 N ATOM 371 CA THR A 37 -19.569 2.591 5.740 1.00 0.00 C ATOM 372 C THR A 37 -19.823 1.102 5.981 1.00 0.00 C ATOM 373 O THR A 37 -20.136 0.694 7.102 1.00 0.00 O ATOM 374 CB THR A 37 -20.656 3.402 6.472 1.00 0.00 C ATOM 375 OG1 THR A 37 -21.903 3.283 5.772 1.00 0.00 O ATOM 376 CG2 THR A 37 -20.281 4.872 6.574 1.00 0.00 C ATOM 0 H THR A 37 -20.504 3.028 3.920 1.00 0.00 H new ATOM 0 HA THR A 37 -18.581 2.842 6.127 1.00 0.00 H new ATOM 0 HB THR A 37 -20.749 2.999 7.481 1.00 0.00 H new ATOM 0 HG1 THR A 37 -22.592 3.798 6.241 1.00 0.00 H new ATOM 0 HG21 THR A 37 -21.070 5.413 7.096 1.00 0.00 H new ATOM 0 HG22 THR A 37 -19.346 4.972 7.126 1.00 0.00 H new ATOM 0 HG23 THR A 37 -20.157 5.286 5.573 1.00 0.00 H new ATOM 384 N ALA A 38 -19.699 0.291 4.938 1.00 0.00 N ATOM 385 CA ALA A 38 -19.928 -1.140 5.065 1.00 0.00 C ATOM 386 C ALA A 38 -19.084 -1.924 4.069 1.00 0.00 C ATOM 387 O ALA A 38 -18.736 -1.414 3.004 1.00 0.00 O ATOM 388 CB ALA A 38 -21.401 -1.456 4.884 1.00 0.00 C ATOM 0 H ALA A 38 -19.442 0.599 4.000 1.00 0.00 H new ATOM 0 HA ALA A 38 -19.626 -1.444 6.067 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -21.557 -2.530 4.982 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -21.981 -0.934 5.645 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -21.724 -1.131 3.895 1.00 0.00 H new ATOM 394 N ILE A 39 -18.773 -3.165 4.427 1.00 0.00 N ATOM 395 CA ILE A 39 -17.948 -4.047 3.600 1.00 0.00 C ATOM 396 C ILE A 39 -18.483 -4.211 2.173 1.00 0.00 C ATOM 397 O ILE A 39 -17.714 -4.124 1.214 1.00 0.00 O ATOM 398 CB ILE A 39 -17.810 -5.441 4.253 1.00 0.00 C ATOM 399 CG1 ILE A 39 -17.106 -5.327 5.612 1.00 0.00 C ATOM 400 CG2 ILE A 39 -17.058 -6.403 3.337 1.00 0.00 C ATOM 401 CD1 ILE A 39 -15.694 -4.783 5.533 1.00 0.00 C ATOM 0 H ILE A 39 -19.085 -3.591 5.300 1.00 0.00 H new ATOM 0 HA ILE A 39 -16.972 -3.566 3.533 1.00 0.00 H new ATOM 0 HB ILE A 39 -18.811 -5.843 4.412 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -17.697 -4.682 6.262 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -17.079 -6.312 6.079 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -16.975 -7.376 3.821 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -17.600 -6.510 2.398 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -16.061 -6.011 3.138 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -15.267 -4.734 6.534 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -15.086 -5.439 4.911 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -15.713 -3.784 5.097 1.00 0.00 H new ATOM 413 N GLU A 40 -19.789 -4.428 2.019 1.00 0.00 N ATOM 414 CA GLU A 40 -20.360 -4.625 0.685 1.00 0.00 C ATOM 415 C GLU A 40 -20.185 -3.380 -0.183 1.00 0.00 C ATOM 416 O GLU A 40 -19.917 -3.488 -1.379 1.00 0.00 O ATOM 417 CB GLU A 40 -21.842 -5.050 0.738 1.00 0.00 C ATOM 418 CG GLU A 40 -22.530 -4.862 2.085 1.00 0.00 C ATOM 419 CD GLU A 40 -23.174 -3.502 2.220 1.00 0.00 C ATOM 420 OE1 GLU A 40 -22.444 -2.499 2.292 1.00 0.00 O ATOM 421 OE2 GLU A 40 -24.420 -3.428 2.249 1.00 0.00 O ATOM 0 H GLU A 40 -20.461 -4.472 2.785 1.00 0.00 H new ATOM 0 HA GLU A 40 -19.806 -5.444 0.227 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -22.392 -4.483 -0.013 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -21.911 -6.101 0.458 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -23.289 -5.634 2.213 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -21.801 -4.996 2.884 1.00 0.00 H new ATOM 428 N LYS A 41 -20.335 -2.204 0.412 1.00 0.00 N ATOM 429 CA LYS A 41 -20.158 -0.954 -0.319 1.00 0.00 C ATOM 430 C LYS A 41 -18.702 -0.789 -0.736 1.00 0.00 C ATOM 431 O LYS A 41 -18.406 -0.281 -1.818 1.00 0.00 O ATOM 432 CB LYS A 41 -20.587 0.238 0.541 1.00 0.00 C ATOM 433 CG LYS A 41 -22.056 0.226 0.902 1.00 0.00 C ATOM 434 CD LYS A 41 -22.319 0.990 2.189 1.00 0.00 C ATOM 435 CE LYS A 41 -23.719 0.723 2.717 1.00 0.00 C ATOM 436 NZ LYS A 41 -24.321 -0.491 2.102 1.00 0.00 N ATOM 0 H LYS A 41 -20.578 -2.088 1.396 1.00 0.00 H new ATOM 0 HA LYS A 41 -20.784 -0.988 -1.211 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -19.996 0.246 1.457 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -20.360 1.161 0.007 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -22.635 0.667 0.091 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -22.396 -0.804 1.013 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -21.584 0.703 2.941 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -22.193 2.058 2.012 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -23.682 0.601 3.800 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -24.354 1.586 2.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -25.239 -0.687 2.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -24.458 -0.332 1.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -23.687 -1.303 2.244 1.00 0.00 H new ATOM 450 N VAL A 42 -17.800 -1.240 0.126 1.00 0.00 N ATOM 451 CA VAL A 42 -16.368 -1.154 -0.131 1.00 0.00 C ATOM 452 C VAL A 42 -15.988 -1.916 -1.403 1.00 0.00 C ATOM 453 O VAL A 42 -15.165 -1.452 -2.187 1.00 0.00 O ATOM 454 CB VAL A 42 -15.552 -1.703 1.063 1.00 0.00 C ATOM 455 CG1 VAL A 42 -14.083 -1.869 0.698 1.00 0.00 C ATOM 456 CG2 VAL A 42 -15.701 -0.790 2.271 1.00 0.00 C ATOM 0 H VAL A 42 -18.038 -1.673 1.018 1.00 0.00 H new ATOM 0 HA VAL A 42 -16.129 -0.099 -0.267 1.00 0.00 H new ATOM 0 HB VAL A 42 -15.947 -2.687 1.316 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -13.536 -2.256 1.558 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -13.992 -2.566 -0.135 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -13.668 -0.903 0.409 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -15.121 -1.190 3.103 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -15.337 0.207 2.021 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -16.752 -0.732 2.556 1.00 0.00 H new ATOM 466 N VAL A 43 -16.609 -3.070 -1.622 1.00 0.00 N ATOM 467 CA VAL A 43 -16.306 -3.872 -2.803 1.00 0.00 C ATOM 468 C VAL A 43 -17.126 -3.416 -4.008 1.00 0.00 C ATOM 469 O VAL A 43 -16.914 -3.886 -5.126 1.00 0.00 O ATOM 470 CB VAL A 43 -16.534 -5.385 -2.560 1.00 0.00 C ATOM 471 CG1 VAL A 43 -15.751 -5.860 -1.346 1.00 0.00 C ATOM 472 CG2 VAL A 43 -18.014 -5.702 -2.400 1.00 0.00 C ATOM 0 H VAL A 43 -17.317 -3.468 -1.005 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.247 -3.719 -3.013 1.00 0.00 H new ATOM 0 HB VAL A 43 -16.170 -5.920 -3.437 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -15.926 -6.925 -1.194 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -14.687 -5.687 -1.508 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -16.078 -5.309 -0.464 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -18.141 -6.771 -2.231 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -18.414 -5.150 -1.550 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -18.548 -5.412 -3.305 1.00 0.00 H new ATOM 482 N GLN A 44 -18.058 -2.499 -3.778 1.00 0.00 N ATOM 483 CA GLN A 44 -18.895 -1.984 -4.853 1.00 0.00 C ATOM 484 C GLN A 44 -18.149 -0.917 -5.642 1.00 0.00 C ATOM 485 O GLN A 44 -18.326 -0.796 -6.853 1.00 0.00 O ATOM 486 CB GLN A 44 -20.205 -1.420 -4.306 1.00 0.00 C ATOM 487 CG GLN A 44 -21.253 -2.485 -4.037 1.00 0.00 C ATOM 488 CD GLN A 44 -22.437 -1.956 -3.254 1.00 0.00 C ATOM 489 OE1 GLN A 44 -22.793 -0.782 -3.358 1.00 0.00 O ATOM 490 NE2 GLN A 44 -23.050 -2.820 -2.465 1.00 0.00 N ATOM 0 H GLN A 44 -18.252 -2.098 -2.860 1.00 0.00 H new ATOM 0 HA GLN A 44 -19.134 -2.812 -5.521 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -20.002 -0.879 -3.382 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -20.606 -0.697 -5.017 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -21.603 -2.892 -4.986 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -20.796 -3.307 -3.486 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -22.720 -3.784 -2.410 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -23.853 -2.524 -1.911 1.00 0.00 H new ATOM 499 N MET A 45 -17.347 -0.123 -4.938 1.00 0.00 N ATOM 500 CA MET A 45 -16.549 0.925 -5.571 1.00 0.00 C ATOM 501 C MET A 45 -15.561 0.343 -6.585 1.00 0.00 C ATOM 502 O MET A 45 -15.452 -0.874 -6.748 1.00 0.00 O ATOM 503 CB MET A 45 -15.790 1.742 -4.521 1.00 0.00 C ATOM 504 CG MET A 45 -14.643 0.993 -3.858 1.00 0.00 C ATOM 505 SD MET A 45 -13.216 2.047 -3.534 1.00 0.00 S ATOM 506 CE MET A 45 -13.972 3.381 -2.608 1.00 0.00 C ATOM 0 H MET A 45 -17.232 -0.185 -3.926 1.00 0.00 H new ATOM 0 HA MET A 45 -17.240 1.580 -6.101 1.00 0.00 H new ATOM 0 HB2 MET A 45 -15.397 2.643 -4.992 1.00 0.00 H new ATOM 0 HB3 MET A 45 -16.491 2.065 -3.752 1.00 0.00 H new ATOM 0 HG2 MET A 45 -14.991 0.562 -2.919 1.00 0.00 H new ATOM 0 HG3 MET A 45 -14.339 0.164 -4.497 1.00 0.00 H new ATOM 0 HE1 MET A 45 -13.222 3.855 -1.975 1.00 0.00 H new ATOM 0 HE2 MET A 45 -14.381 4.118 -3.299 1.00 0.00 H new ATOM 0 HE3 MET A 45 -14.774 2.983 -1.986 1.00 0.00 H new ATOM 516 N THR A 46 -14.818 1.220 -7.240 1.00 0.00 N ATOM 517 CA THR A 46 -13.858 0.801 -8.240 1.00 0.00 C ATOM 518 C THR A 46 -12.519 1.499 -8.018 1.00 0.00 C ATOM 519 O THR A 46 -12.397 2.355 -7.141 1.00 0.00 O ATOM 520 CB THR A 46 -14.376 1.095 -9.667 1.00 0.00 C ATOM 521 OG1 THR A 46 -13.528 0.473 -10.641 1.00 0.00 O ATOM 522 CG2 THR A 46 -14.441 2.593 -9.931 1.00 0.00 C ATOM 0 H THR A 46 -14.864 2.229 -7.094 1.00 0.00 H new ATOM 0 HA THR A 46 -13.719 -0.276 -8.140 1.00 0.00 H new ATOM 0 HB THR A 46 -15.383 0.685 -9.747 1.00 0.00 H new ATOM 0 HG1 THR A 46 -13.867 0.665 -11.540 1.00 0.00 H new ATOM 0 HG21 THR A 46 -14.809 2.769 -10.942 1.00 0.00 H new ATOM 0 HG22 THR A 46 -15.115 3.060 -9.213 1.00 0.00 H new ATOM 0 HG23 THR A 46 -13.445 3.024 -9.827 1.00 0.00 H new ATOM 530 N ASN A 47 -11.530 1.130 -8.820 1.00 0.00 N ATOM 531 CA ASN A 47 -10.189 1.704 -8.728 1.00 0.00 C ATOM 532 C ASN A 47 -10.232 3.225 -8.820 1.00 0.00 C ATOM 533 O ASN A 47 -9.622 3.922 -8.011 1.00 0.00 O ATOM 534 CB ASN A 47 -9.292 1.147 -9.840 1.00 0.00 C ATOM 535 CG ASN A 47 -9.256 -0.369 -9.860 1.00 0.00 C ATOM 536 OD1 ASN A 47 -10.165 -1.017 -10.384 1.00 0.00 O ATOM 537 ND2 ASN A 47 -8.199 -0.945 -9.306 1.00 0.00 N ATOM 0 H ASN A 47 -11.631 0.427 -9.552 1.00 0.00 H new ATOM 0 HA ASN A 47 -9.776 1.427 -7.758 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -9.648 1.510 -10.804 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -8.279 1.529 -9.709 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -8.115 -1.962 -9.303 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -7.469 -0.372 -8.883 1.00 0.00 H new ATOM 544 N ASP A 48 -10.958 3.735 -9.808 1.00 0.00 N ATOM 545 CA ASP A 48 -11.078 5.178 -10.013 1.00 0.00 C ATOM 546 C ASP A 48 -11.810 5.860 -8.857 1.00 0.00 C ATOM 547 O ASP A 48 -11.538 7.017 -8.540 1.00 0.00 O ATOM 548 CB ASP A 48 -11.798 5.461 -11.328 1.00 0.00 C ATOM 549 CG ASP A 48 -11.483 6.838 -11.872 1.00 0.00 C ATOM 550 OD1 ASP A 48 -10.356 7.035 -12.373 1.00 0.00 O ATOM 551 OD2 ASP A 48 -12.363 7.718 -11.818 1.00 0.00 O ATOM 0 H ASP A 48 -11.475 3.171 -10.483 1.00 0.00 H new ATOM 0 HA ASP A 48 -10.070 5.590 -10.053 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -11.514 4.709 -12.064 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -12.874 5.370 -11.177 1.00 0.00 H new ATOM 556 N ASP A 49 -12.727 5.139 -8.220 1.00 0.00 N ATOM 557 CA ASP A 49 -13.489 5.681 -7.093 1.00 0.00 C ATOM 558 C ASP A 49 -12.545 6.038 -5.946 1.00 0.00 C ATOM 559 O ASP A 49 -12.749 7.024 -5.238 1.00 0.00 O ATOM 560 CB ASP A 49 -14.538 4.671 -6.618 1.00 0.00 C ATOM 561 CG ASP A 49 -15.868 5.315 -6.277 1.00 0.00 C ATOM 562 OD1 ASP A 49 -16.024 5.803 -5.140 1.00 0.00 O ATOM 563 OD2 ASP A 49 -16.770 5.315 -7.144 1.00 0.00 O ATOM 0 H ASP A 49 -12.963 4.177 -8.463 1.00 0.00 H new ATOM 0 HA ASP A 49 -14.003 6.584 -7.423 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -14.692 3.922 -7.395 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -14.159 4.147 -5.741 1.00 0.00 H new ATOM 568 N ILE A 50 -11.490 5.248 -5.788 1.00 0.00 N ATOM 569 CA ILE A 50 -10.467 5.466 -4.769 1.00 0.00 C ATOM 570 C ILE A 50 -9.812 6.816 -4.940 1.00 0.00 C ATOM 571 O ILE A 50 -9.322 7.418 -3.982 1.00 0.00 O ATOM 572 CB ILE A 50 -9.404 4.293 -4.758 1.00 0.00 C ATOM 573 CG1 ILE A 50 -9.958 2.917 -4.270 1.00 0.00 C ATOM 574 CG2 ILE A 50 -8.137 4.633 -3.914 1.00 0.00 C ATOM 575 CD1 ILE A 50 -9.033 1.702 -4.491 1.00 0.00 C ATOM 0 H ILE A 50 -11.317 4.428 -6.370 1.00 0.00 H new ATOM 0 HA ILE A 50 -10.957 5.462 -3.795 1.00 0.00 H new ATOM 0 HB ILE A 50 -9.138 4.196 -5.811 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -10.178 2.993 -3.205 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -10.903 2.727 -4.778 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -7.444 3.792 -3.943 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -7.652 5.518 -4.326 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -8.429 4.827 -2.882 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -9.519 0.802 -4.115 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -8.831 1.587 -5.556 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -8.095 1.857 -3.959 1.00 0.00 H new ATOM 587 N LYS A 51 -9.743 7.262 -6.178 1.00 0.00 N ATOM 588 CA LYS A 51 -9.091 8.525 -6.502 1.00 0.00 C ATOM 589 C LYS A 51 -9.999 9.705 -6.165 1.00 0.00 C ATOM 590 O LYS A 51 -9.535 10.821 -5.942 1.00 0.00 O ATOM 591 CB LYS A 51 -8.727 8.556 -7.987 1.00 0.00 C ATOM 592 CG LYS A 51 -8.056 7.284 -8.483 1.00 0.00 C ATOM 593 CD LYS A 51 -8.036 7.215 -10.001 1.00 0.00 C ATOM 594 CE LYS A 51 -6.989 8.143 -10.591 1.00 0.00 C ATOM 595 NZ LYS A 51 -5.620 7.573 -10.472 1.00 0.00 N ATOM 0 H LYS A 51 -10.131 6.770 -6.983 1.00 0.00 H new ATOM 0 HA LYS A 51 -8.183 8.608 -5.905 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.632 8.729 -8.569 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.063 9.401 -8.171 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -7.035 7.239 -8.103 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.583 6.416 -8.086 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -7.834 6.191 -10.316 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.019 7.481 -10.390 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -7.216 8.328 -11.641 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.028 9.106 -10.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.919 8.298 -10.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -5.457 7.263 -9.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -5.526 6.759 -11.113 1.00 0.00 H new ATOM 609 N ARG A 52 -11.290 9.441 -6.112 1.00 0.00 N ATOM 610 CA ARG A 52 -12.281 10.480 -5.822 1.00 0.00 C ATOM 611 C ARG A 52 -12.485 10.676 -4.320 1.00 0.00 C ATOM 612 O ARG A 52 -12.690 11.800 -3.860 1.00 0.00 O ATOM 613 CB ARG A 52 -13.611 10.144 -6.503 1.00 0.00 C ATOM 614 CG ARG A 52 -14.805 10.907 -5.951 1.00 0.00 C ATOM 615 CD ARG A 52 -16.049 10.682 -6.796 1.00 0.00 C ATOM 616 NE ARG A 52 -17.267 11.042 -6.074 1.00 0.00 N ATOM 617 CZ ARG A 52 -17.731 12.286 -5.967 1.00 0.00 C ATOM 618 NH1 ARG A 52 -17.095 13.294 -6.553 1.00 0.00 N ATOM 619 NH2 ARG A 52 -18.839 12.521 -5.280 1.00 0.00 N ATOM 0 H ARG A 52 -11.687 8.514 -6.266 1.00 0.00 H new ATOM 0 HA ARG A 52 -11.899 11.420 -6.221 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -13.523 10.352 -7.569 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -13.799 9.075 -6.401 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -14.998 10.591 -4.926 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -14.574 11.972 -5.918 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -15.980 11.273 -7.709 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -16.100 9.635 -7.096 1.00 0.00 H new ATOM 0 HE ARG A 52 -17.795 10.294 -5.624 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -16.245 13.118 -7.089 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -17.456 14.244 -6.467 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -19.336 11.750 -4.834 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -19.195 13.473 -5.197 1.00 0.00 H new ATOM 633 N ILE A 53 -12.393 9.595 -3.557 1.00 0.00 N ATOM 634 CA ILE A 53 -12.594 9.666 -2.106 1.00 0.00 C ATOM 635 C ILE A 53 -11.511 10.500 -1.419 1.00 0.00 C ATOM 636 O ILE A 53 -11.645 10.860 -0.252 1.00 0.00 O ATOM 637 CB ILE A 53 -12.631 8.267 -1.461 1.00 0.00 C ATOM 638 CG1 ILE A 53 -11.303 7.550 -1.681 1.00 0.00 C ATOM 639 CG2 ILE A 53 -13.784 7.451 -2.026 1.00 0.00 C ATOM 640 CD1 ILE A 53 -11.178 6.253 -0.924 1.00 0.00 C ATOM 0 H ILE A 53 -12.182 8.662 -3.911 1.00 0.00 H new ATOM 0 HA ILE A 53 -13.560 10.150 -1.963 1.00 0.00 H new ATOM 0 HB ILE A 53 -12.788 8.380 -0.388 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -11.180 7.351 -2.746 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -10.490 8.213 -1.384 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -13.795 6.466 -1.560 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -14.725 7.961 -1.821 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -13.658 7.341 -3.103 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -10.207 5.803 -1.132 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -11.268 6.446 0.145 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -11.969 5.571 -1.237 1.00 0.00 H new ATOM 652 N GLY A 54 -10.440 10.802 -2.140 1.00 0.00 N ATOM 653 CA GLY A 54 -9.368 11.591 -1.571 1.00 0.00 C ATOM 654 C GLY A 54 -8.013 11.173 -2.091 1.00 0.00 C ATOM 655 O GLY A 54 -7.375 11.922 -2.831 1.00 0.00 O ATOM 0 H GLY A 54 -10.295 10.515 -3.108 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -9.534 12.644 -1.799 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -9.384 11.494 -0.485 1.00 0.00 H new ATOM 659 N VAL A 55 -7.579 9.985 -1.671 1.00 0.00 N ATOM 660 CA VAL A 55 -6.296 9.398 -2.071 1.00 0.00 C ATOM 661 C VAL A 55 -5.932 9.678 -3.531 1.00 0.00 C ATOM 662 O VAL A 55 -6.518 9.104 -4.446 1.00 0.00 O ATOM 663 CB VAL A 55 -6.318 7.867 -1.873 1.00 0.00 C ATOM 664 CG1 VAL A 55 -4.943 7.278 -2.115 1.00 0.00 C ATOM 665 CG2 VAL A 55 -6.825 7.502 -0.486 1.00 0.00 C ATOM 0 H VAL A 55 -8.114 9.394 -1.035 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.546 9.868 -1.435 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.007 7.442 -2.603 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -4.979 6.198 -1.971 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.628 7.497 -3.135 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.232 7.714 -1.414 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.830 6.418 -0.374 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.172 7.942 0.268 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -7.837 7.885 -0.356 1.00 0.00 H new ATOM 675 N ARG A 56 -4.961 10.560 -3.745 1.00 0.00 N ATOM 676 CA ARG A 56 -4.510 10.895 -5.094 1.00 0.00 C ATOM 677 C ARG A 56 -3.040 10.538 -5.285 1.00 0.00 C ATOM 678 O ARG A 56 -2.344 11.136 -6.102 1.00 0.00 O ATOM 679 CB ARG A 56 -4.728 12.387 -5.378 1.00 0.00 C ATOM 680 CG ARG A 56 -4.532 13.291 -4.167 1.00 0.00 C ATOM 681 CD ARG A 56 -3.059 13.544 -3.880 1.00 0.00 C ATOM 682 NE ARG A 56 -2.845 14.100 -2.545 1.00 0.00 N ATOM 683 CZ ARG A 56 -1.668 14.541 -2.100 1.00 0.00 C ATOM 684 NH1 ARG A 56 -0.602 14.529 -2.897 1.00 0.00 N ATOM 685 NH2 ARG A 56 -1.562 15.007 -0.863 1.00 0.00 N ATOM 0 H ARG A 56 -4.470 11.057 -3.002 1.00 0.00 H new ATOM 0 HA ARG A 56 -5.100 10.310 -5.799 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.041 12.699 -6.165 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -5.738 12.528 -5.762 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -5.037 14.242 -4.338 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.999 12.835 -3.294 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -2.506 12.610 -3.976 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.658 14.230 -4.626 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.645 14.154 -1.915 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -0.683 14.181 -3.853 1.00 0.00 H new ATOM 0 HH12 ARG A 56 0.296 14.867 -2.552 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -2.380 15.028 -0.254 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -0.663 15.345 -0.521 1.00 0.00 H new ATOM 699 N LEU A 57 -2.563 9.579 -4.508 1.00 0.00 N ATOM 700 CA LEU A 57 -1.183 9.150 -4.601 1.00 0.00 C ATOM 701 C LEU A 57 -1.115 7.735 -5.156 1.00 0.00 C ATOM 702 O LEU A 57 -1.847 6.857 -4.712 1.00 0.00 O ATOM 703 CB LEU A 57 -0.521 9.245 -3.228 1.00 0.00 C ATOM 704 CG LEU A 57 -0.343 10.676 -2.717 1.00 0.00 C ATOM 705 CD1 LEU A 57 -0.176 10.700 -1.208 1.00 0.00 C ATOM 706 CD2 LEU A 57 0.845 11.338 -3.398 1.00 0.00 C ATOM 0 H LEU A 57 -3.114 9.085 -3.806 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.641 9.803 -5.285 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.119 8.686 -2.509 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.456 8.763 -3.273 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.243 11.239 -2.963 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.051 11.729 -0.872 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.060 10.269 -0.737 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.703 10.119 -0.930 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.958 12.355 -3.024 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.750 10.770 -3.184 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.679 11.364 -4.475 1.00 0.00 H new ATOM 718 N PRO A 58 -0.223 7.507 -6.131 1.00 0.00 N ATOM 719 CA PRO A 58 -0.058 6.209 -6.814 1.00 0.00 C ATOM 720 C PRO A 58 0.163 5.023 -5.882 1.00 0.00 C ATOM 721 O PRO A 58 -0.537 4.019 -5.984 1.00 0.00 O ATOM 722 CB PRO A 58 1.171 6.407 -7.703 1.00 0.00 C ATOM 723 CG PRO A 58 1.813 7.666 -7.227 1.00 0.00 C ATOM 724 CD PRO A 58 0.710 8.507 -6.662 1.00 0.00 C ATOM 0 HA PRO A 58 -0.972 5.957 -7.352 1.00 0.00 H new ATOM 0 HB2 PRO A 58 1.855 5.563 -7.619 1.00 0.00 H new ATOM 0 HB3 PRO A 58 0.887 6.485 -8.752 1.00 0.00 H new ATOM 0 HG2 PRO A 58 2.569 7.456 -6.471 1.00 0.00 H new ATOM 0 HG3 PRO A 58 2.315 8.181 -8.046 1.00 0.00 H new ATOM 0 HD2 PRO A 58 1.071 9.177 -5.882 1.00 0.00 H new ATOM 0 HD3 PRO A 58 0.244 9.129 -7.426 1.00 0.00 H new ATOM 732 N GLY A 59 1.143 5.118 -4.998 1.00 0.00 N ATOM 733 CA GLY A 59 1.399 4.027 -4.082 1.00 0.00 C ATOM 734 C GLY A 59 0.238 3.800 -3.138 1.00 0.00 C ATOM 735 O GLY A 59 -0.113 2.655 -2.846 1.00 0.00 O ATOM 0 H GLY A 59 1.761 5.923 -4.898 1.00 0.00 H new ATOM 0 HA2 GLY A 59 1.591 3.115 -4.648 1.00 0.00 H new ATOM 0 HA3 GLY A 59 2.299 4.240 -3.506 1.00 0.00 H new ATOM 739 N HIS A 60 -0.400 4.899 -2.722 1.00 0.00 N ATOM 740 CA HIS A 60 -1.540 4.835 -1.807 1.00 0.00 C ATOM 741 C HIS A 60 -2.729 4.232 -2.541 1.00 0.00 C ATOM 742 O HIS A 60 -3.621 3.621 -1.945 1.00 0.00 O ATOM 743 CB HIS A 60 -1.908 6.246 -1.305 1.00 0.00 C ATOM 744 CG HIS A 60 -1.115 6.732 -0.122 1.00 0.00 C ATOM 745 ND1 HIS A 60 0.065 7.439 -0.215 1.00 0.00 N ATOM 746 CD2 HIS A 60 -1.383 6.633 1.202 1.00 0.00 C ATOM 747 CE1 HIS A 60 0.467 7.735 1.031 1.00 0.00 C ATOM 748 NE2 HIS A 60 -0.379 7.269 1.925 1.00 0.00 N ATOM 0 H HIS A 60 -0.144 5.845 -3.006 1.00 0.00 H new ATOM 0 HA HIS A 60 -1.276 4.218 -0.948 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -1.776 6.952 -2.125 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -2.966 6.256 -1.042 1.00 0.00 H new ATOM 0 HD1 HIS A 60 0.547 7.692 -1.078 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -2.242 6.138 1.630 1.00 0.00 H new ATOM 0 HE1 HIS A 60 1.366 8.283 1.269 1.00 0.00 H new ATOM 756 N GLN A 61 -2.702 4.395 -3.862 1.00 0.00 N ATOM 757 CA GLN A 61 -3.765 3.916 -4.741 1.00 0.00 C ATOM 758 C GLN A 61 -3.522 2.477 -5.185 1.00 0.00 C ATOM 759 O GLN A 61 -4.341 1.896 -5.900 1.00 0.00 O ATOM 760 CB GLN A 61 -3.882 4.823 -5.977 1.00 0.00 C ATOM 761 CG GLN A 61 -4.873 5.969 -5.812 1.00 0.00 C ATOM 762 CD GLN A 61 -4.876 6.932 -6.987 1.00 0.00 C ATOM 763 OE1 GLN A 61 -4.569 6.562 -8.119 1.00 0.00 O ATOM 764 NE2 GLN A 61 -5.262 8.171 -6.733 1.00 0.00 N ATOM 0 H GLN A 61 -1.941 4.864 -4.353 1.00 0.00 H new ATOM 0 HA GLN A 61 -4.696 3.945 -4.175 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -2.900 5.236 -6.207 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -4.181 4.218 -6.833 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -5.875 5.559 -5.684 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -4.635 6.518 -4.901 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -5.509 8.443 -5.782 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -5.312 8.854 -7.488 1.00 0.00 H new ATOM 773 N LYS A 62 -2.414 1.887 -4.757 1.00 0.00 N ATOM 774 CA LYS A 62 -2.112 0.516 -5.135 1.00 0.00 C ATOM 775 C LYS A 62 -2.493 -0.438 -4.011 1.00 0.00 C ATOM 776 O LYS A 62 -3.038 -1.511 -4.261 1.00 0.00 O ATOM 777 CB LYS A 62 -0.633 0.356 -5.508 1.00 0.00 C ATOM 778 CG LYS A 62 -0.299 0.878 -6.898 1.00 0.00 C ATOM 779 CD LYS A 62 1.171 0.686 -7.218 1.00 0.00 C ATOM 780 CE LYS A 62 1.474 0.942 -8.685 1.00 0.00 C ATOM 781 NZ LYS A 62 2.923 0.797 -8.963 1.00 0.00 N ATOM 0 H LYS A 62 -1.719 2.330 -4.156 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.703 0.268 -6.017 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.022 0.882 -4.774 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.364 -0.699 -5.450 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.906 0.359 -7.640 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.553 1.936 -6.963 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.767 1.360 -6.602 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.469 -0.330 -6.959 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.910 0.244 -9.303 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.147 1.945 -8.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.090 0.876 -9.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.448 1.546 -8.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.249 -0.133 -8.630 1.00 0.00 H new ATOM 795 N ARG A 63 -2.183 -0.052 -2.773 1.00 0.00 N ATOM 796 CA ARG A 63 -2.515 -0.873 -1.612 1.00 0.00 C ATOM 797 C ARG A 63 -4.005 -1.171 -1.552 1.00 0.00 C ATOM 798 O ARG A 63 -4.415 -2.325 -1.439 1.00 0.00 O ATOM 799 CB ARG A 63 -2.092 -0.177 -0.320 1.00 0.00 C ATOM 800 CG ARG A 63 -0.758 -0.649 0.226 1.00 0.00 C ATOM 801 CD ARG A 63 0.399 -0.066 -0.565 1.00 0.00 C ATOM 802 NE ARG A 63 1.530 -0.990 -0.646 1.00 0.00 N ATOM 803 CZ ARG A 63 2.582 -0.952 0.171 1.00 0.00 C ATOM 804 NH1 ARG A 63 2.628 -0.087 1.174 1.00 0.00 N ATOM 805 NH2 ARG A 63 3.585 -1.801 -0.005 1.00 0.00 N ATOM 0 H ARG A 63 -1.704 0.821 -2.550 1.00 0.00 H new ATOM 0 HA ARG A 63 -1.972 -1.812 -1.715 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -2.041 0.897 -0.498 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -2.860 -0.339 0.436 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.668 -0.359 1.273 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -0.713 -1.738 0.191 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.061 0.182 -1.571 1.00 0.00 H new ATOM 0 HD3 ARG A 63 0.724 0.864 -0.099 1.00 0.00 H new ATOM 0 HE ARG A 63 1.512 -1.707 -1.372 1.00 0.00 H new ATOM 0 HH11 ARG A 63 1.853 0.558 1.327 1.00 0.00 H new ATOM 0 HH12 ARG A 63 3.438 -0.067 1.793 1.00 0.00 H new ATOM 0 HH21 ARG A 63 3.550 -2.481 -0.764 1.00 0.00 H new ATOM 0 HH22 ARG A 63 4.391 -1.774 0.619 1.00 0.00 H new ATOM 819 N ILE A 64 -4.809 -0.122 -1.638 1.00 0.00 N ATOM 820 CA ILE A 64 -6.254 -0.259 -1.588 1.00 0.00 C ATOM 821 C ILE A 64 -6.772 -1.088 -2.778 1.00 0.00 C ATOM 822 O ILE A 64 -7.589 -1.994 -2.600 1.00 0.00 O ATOM 823 CB ILE A 64 -6.939 1.133 -1.554 1.00 0.00 C ATOM 824 CG1 ILE A 64 -6.413 1.965 -0.368 1.00 0.00 C ATOM 825 CG2 ILE A 64 -8.455 0.989 -1.481 1.00 0.00 C ATOM 826 CD1 ILE A 64 -6.865 3.415 -0.385 1.00 0.00 C ATOM 0 H ILE A 64 -4.481 0.838 -1.743 1.00 0.00 H new ATOM 0 HA ILE A 64 -6.508 -0.789 -0.670 1.00 0.00 H new ATOM 0 HB ILE A 64 -6.693 1.657 -2.477 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -6.743 1.503 0.562 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -5.323 1.934 -0.370 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -8.914 1.978 -1.458 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -8.811 0.444 -2.355 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.725 0.443 -0.577 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -6.454 3.934 0.481 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -6.512 3.895 -1.297 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -7.954 3.457 -0.351 1.00 0.00 H new ATOM 838 N ALA A 65 -6.270 -0.795 -3.982 1.00 0.00 N ATOM 839 CA ALA A 65 -6.679 -1.514 -5.193 1.00 0.00 C ATOM 840 C ALA A 65 -6.358 -3.002 -5.084 1.00 0.00 C ATOM 841 O ALA A 65 -7.148 -3.855 -5.497 1.00 0.00 O ATOM 842 CB ALA A 65 -6.004 -0.897 -6.412 1.00 0.00 C ATOM 0 H ALA A 65 -5.578 -0.063 -4.144 1.00 0.00 H new ATOM 0 HA ALA A 65 -7.759 -1.421 -5.306 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -6.311 -1.435 -7.309 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.296 0.150 -6.499 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.922 -0.964 -6.301 1.00 0.00 H new ATOM 848 N TYR A 66 -5.192 -3.301 -4.530 1.00 0.00 N ATOM 849 CA TYR A 66 -4.761 -4.677 -4.332 1.00 0.00 C ATOM 850 C TYR A 66 -5.746 -5.433 -3.444 1.00 0.00 C ATOM 851 O TYR A 66 -6.199 -6.527 -3.788 1.00 0.00 O ATOM 852 CB TYR A 66 -3.382 -4.698 -3.681 1.00 0.00 C ATOM 853 CG TYR A 66 -2.518 -5.856 -4.127 1.00 0.00 C ATOM 854 CD1 TYR A 66 -2.817 -7.161 -3.743 1.00 0.00 C ATOM 855 CD2 TYR A 66 -1.398 -5.647 -4.918 1.00 0.00 C ATOM 856 CE1 TYR A 66 -2.028 -8.223 -4.145 1.00 0.00 C ATOM 857 CE2 TYR A 66 -0.602 -6.703 -5.322 1.00 0.00 C ATOM 858 CZ TYR A 66 -0.917 -7.988 -4.931 1.00 0.00 C ATOM 859 OH TYR A 66 -0.116 -9.040 -5.318 1.00 0.00 O ATOM 0 H TYR A 66 -4.523 -2.602 -4.207 1.00 0.00 H new ATOM 0 HA TYR A 66 -4.720 -5.164 -5.306 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -2.868 -3.764 -3.908 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -3.501 -4.741 -2.598 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -3.680 -7.347 -3.121 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -1.143 -4.643 -5.223 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -2.279 -9.230 -3.846 1.00 0.00 H new ATOM 0 HE2 TYR A 66 0.264 -6.522 -5.942 1.00 0.00 H new ATOM 0 HH TYR A 66 0.705 -9.041 -4.782 1.00 0.00 H new ATOM 869 N SER A 67 -6.091 -4.834 -2.316 1.00 0.00 N ATOM 870 CA SER A 67 -7.000 -5.441 -1.368 1.00 0.00 C ATOM 871 C SER A 67 -8.402 -5.606 -1.950 1.00 0.00 C ATOM 872 O SER A 67 -9.106 -6.559 -1.617 1.00 0.00 O ATOM 873 CB SER A 67 -7.047 -4.567 -0.125 1.00 0.00 C ATOM 874 OG SER A 67 -5.742 -4.305 0.352 1.00 0.00 O ATOM 0 H SER A 67 -5.748 -3.915 -2.036 1.00 0.00 H new ATOM 0 HA SER A 67 -6.639 -6.439 -1.122 1.00 0.00 H new ATOM 0 HB2 SER A 67 -7.551 -3.628 -0.354 1.00 0.00 H new ATOM 0 HB3 SER A 67 -7.631 -5.062 0.651 1.00 0.00 H new ATOM 0 HG SER A 67 -5.350 -3.565 -0.157 1.00 0.00 H new ATOM 880 N LEU A 68 -8.813 -4.686 -2.825 1.00 0.00 N ATOM 881 CA LEU A 68 -10.143 -4.766 -3.422 1.00 0.00 C ATOM 882 C LEU A 68 -10.297 -6.074 -4.202 1.00 0.00 C ATOM 883 O LEU A 68 -11.360 -6.695 -4.182 1.00 0.00 O ATOM 884 CB LEU A 68 -10.428 -3.553 -4.316 1.00 0.00 C ATOM 885 CG LEU A 68 -10.548 -2.214 -3.577 1.00 0.00 C ATOM 886 CD1 LEU A 68 -10.812 -1.091 -4.559 1.00 0.00 C ATOM 887 CD2 LEU A 68 -11.653 -2.253 -2.526 1.00 0.00 C ATOM 0 H LEU A 68 -8.253 -3.890 -3.131 1.00 0.00 H new ATOM 0 HA LEU A 68 -10.878 -4.756 -2.617 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -9.632 -3.472 -5.056 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -11.354 -3.733 -4.862 1.00 0.00 H new ATOM 0 HG LEU A 68 -9.601 -2.033 -3.068 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -10.895 -0.148 -4.019 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -9.990 -1.030 -5.272 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -11.742 -1.286 -5.093 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -11.710 -1.288 -2.022 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -12.607 -2.467 -3.008 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -11.433 -3.031 -1.795 1.00 0.00 H new ATOM 899 N LEU A 69 -9.219 -6.490 -4.869 1.00 0.00 N ATOM 900 CA LEU A 69 -9.200 -7.741 -5.633 1.00 0.00 C ATOM 901 C LEU A 69 -9.491 -8.936 -4.736 1.00 0.00 C ATOM 902 O LEU A 69 -10.341 -9.768 -5.052 1.00 0.00 O ATOM 903 CB LEU A 69 -7.832 -7.924 -6.293 1.00 0.00 C ATOM 904 CG LEU A 69 -7.433 -6.818 -7.259 1.00 0.00 C ATOM 905 CD1 LEU A 69 -5.978 -6.970 -7.655 1.00 0.00 C ATOM 906 CD2 LEU A 69 -8.324 -6.838 -8.489 1.00 0.00 C ATOM 0 H LEU A 69 -8.340 -5.974 -4.896 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.976 -7.683 -6.396 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.075 -7.995 -5.512 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.827 -8.873 -6.829 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.560 -5.857 -6.760 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.704 -6.173 -8.346 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.351 -6.910 -6.766 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.831 -7.936 -8.138 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.024 -6.040 -9.169 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.227 -7.800 -8.993 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.361 -6.688 -8.189 1.00 0.00 H new ATOM 918 N GLY A 70 -8.804 -8.995 -3.602 1.00 0.00 N ATOM 919 CA GLY A 70 -8.989 -10.100 -2.680 1.00 0.00 C ATOM 920 C GLY A 70 -10.378 -10.108 -2.078 1.00 0.00 C ATOM 921 O GLY A 70 -10.987 -11.164 -1.914 1.00 0.00 O ATOM 0 H GLY A 70 -8.122 -8.298 -3.304 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -8.814 -11.041 -3.202 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -8.248 -10.035 -1.883 1.00 0.00 H new ATOM 925 N LEU A 71 -10.886 -8.918 -1.764 1.00 0.00 N ATOM 926 CA LEU A 71 -12.215 -8.768 -1.185 1.00 0.00 C ATOM 927 C LEU A 71 -13.293 -9.310 -2.125 1.00 0.00 C ATOM 928 O LEU A 71 -14.232 -9.980 -1.691 1.00 0.00 O ATOM 929 CB LEU A 71 -12.495 -7.296 -0.865 1.00 0.00 C ATOM 930 CG LEU A 71 -11.606 -6.687 0.219 1.00 0.00 C ATOM 931 CD1 LEU A 71 -11.834 -5.187 0.319 1.00 0.00 C ATOM 932 CD2 LEU A 71 -11.876 -7.357 1.556 1.00 0.00 C ATOM 0 H LEU A 71 -10.390 -8.038 -1.903 1.00 0.00 H new ATOM 0 HA LEU A 71 -12.243 -9.347 -0.262 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -12.378 -6.713 -1.779 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -13.536 -7.199 -0.556 1.00 0.00 H new ATOM 0 HG LEU A 71 -10.564 -6.856 -0.052 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -11.192 -4.772 1.096 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.597 -4.718 -0.636 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -12.877 -4.993 0.569 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -11.237 -6.915 2.320 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -12.921 -7.214 1.830 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -11.664 -8.423 1.478 1.00 0.00 H new ATOM 944 N LYS A 72 -13.152 -9.013 -3.412 1.00 0.00 N ATOM 945 CA LYS A 72 -14.103 -9.474 -4.419 1.00 0.00 C ATOM 946 C LYS A 72 -14.026 -10.992 -4.581 1.00 0.00 C ATOM 947 O LYS A 72 -15.024 -11.652 -4.865 1.00 0.00 O ATOM 948 CB LYS A 72 -13.819 -8.786 -5.751 1.00 0.00 C ATOM 949 CG LYS A 72 -14.055 -7.287 -5.717 1.00 0.00 C ATOM 950 CD LYS A 72 -13.758 -6.641 -7.058 1.00 0.00 C ATOM 951 CE LYS A 72 -14.091 -5.159 -7.038 1.00 0.00 C ATOM 952 NZ LYS A 72 -15.530 -4.911 -7.318 1.00 0.00 N ATOM 0 H LYS A 72 -12.385 -8.453 -3.784 1.00 0.00 H new ATOM 0 HA LYS A 72 -15.110 -9.217 -4.091 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -12.785 -8.977 -6.037 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -14.450 -9.228 -6.522 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -15.090 -7.088 -5.438 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -13.426 -6.837 -4.949 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -12.705 -6.777 -7.305 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -14.335 -7.136 -7.839 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -13.833 -4.742 -6.064 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -13.482 -4.640 -7.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -15.625 -4.394 -8.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -16.032 -5.819 -7.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -15.941 -4.346 -6.548 1.00 0.00 H new ATOM 966 N ASP A 73 -12.826 -11.527 -4.412 1.00 0.00 N ATOM 967 CA ASP A 73 -12.594 -12.969 -4.513 1.00 0.00 C ATOM 968 C ASP A 73 -13.191 -13.698 -3.318 1.00 0.00 C ATOM 969 O ASP A 73 -13.765 -14.782 -3.453 1.00 0.00 O ATOM 970 CB ASP A 73 -11.100 -13.264 -4.587 1.00 0.00 C ATOM 971 CG ASP A 73 -10.799 -14.750 -4.552 1.00 0.00 C ATOM 972 OD1 ASP A 73 -11.171 -15.462 -5.507 1.00 0.00 O ATOM 973 OD2 ASP A 73 -10.184 -15.211 -3.563 1.00 0.00 O ATOM 0 H ASP A 73 -11.989 -10.983 -4.203 1.00 0.00 H new ATOM 0 HA ASP A 73 -13.079 -13.322 -5.423 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -10.693 -12.836 -5.503 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -10.595 -12.774 -3.755 1.00 0.00 H new ATOM 978 N GLN A 74 -13.058 -13.091 -2.145 1.00 0.00 N ATOM 979 CA GLN A 74 -13.586 -13.670 -0.919 1.00 0.00 C ATOM 980 C GLN A 74 -15.097 -13.845 -1.013 1.00 0.00 C ATOM 981 O GLN A 74 -15.638 -14.866 -0.598 1.00 0.00 O ATOM 982 CB GLN A 74 -13.243 -12.797 0.296 1.00 0.00 C ATOM 983 CG GLN A 74 -11.768 -12.789 0.680 1.00 0.00 C ATOM 984 CD GLN A 74 -11.300 -14.092 1.301 1.00 0.00 C ATOM 985 OE1 GLN A 74 -11.812 -15.169 0.996 1.00 0.00 O ATOM 986 NE2 GLN A 74 -10.315 -14.003 2.180 1.00 0.00 N ATOM 0 H GLN A 74 -12.587 -12.195 -2.018 1.00 0.00 H new ATOM 0 HA GLN A 74 -13.121 -14.647 -0.790 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -13.556 -11.773 0.091 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -13.825 -13.143 1.150 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -11.170 -12.583 -0.208 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -11.587 -11.975 1.382 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -9.915 -13.093 2.408 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -9.955 -14.845 2.630 1.00 0.00 H new ATOM 995 N VAL A 75 -15.775 -12.852 -1.580 1.00 0.00 N ATOM 996 CA VAL A 75 -17.226 -12.910 -1.716 1.00 0.00 C ATOM 997 C VAL A 75 -17.628 -13.797 -2.896 1.00 0.00 C ATOM 998 O VAL A 75 -18.795 -14.152 -3.050 1.00 0.00 O ATOM 999 CB VAL A 75 -17.854 -11.499 -1.869 1.00 0.00 C ATOM 1000 CG1 VAL A 75 -17.768 -11.001 -3.309 1.00 0.00 C ATOM 1001 CG2 VAL A 75 -19.296 -11.504 -1.367 1.00 0.00 C ATOM 0 H VAL A 75 -15.347 -12.003 -1.950 1.00 0.00 H new ATOM 0 HA VAL A 75 -17.614 -13.347 -0.796 1.00 0.00 H new ATOM 0 HB VAL A 75 -17.280 -10.803 -1.256 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -18.217 -10.010 -3.379 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -16.723 -10.948 -3.614 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -18.302 -11.689 -3.964 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -19.724 -10.508 -1.480 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -19.881 -12.218 -1.947 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -19.314 -11.789 -0.315 1.00 0.00 H new ATOM 1011 N ASN A 76 -16.658 -14.157 -3.722 1.00 0.00 N ATOM 1012 CA ASN A 76 -16.917 -15.007 -4.876 1.00 0.00 C ATOM 1013 C ASN A 76 -16.725 -16.471 -4.494 1.00 0.00 C ATOM 1014 O ASN A 76 -17.187 -17.381 -5.183 1.00 0.00 O ATOM 1015 CB ASN A 76 -15.980 -14.629 -6.025 1.00 0.00 C ATOM 1016 CG ASN A 76 -16.545 -14.971 -7.389 1.00 0.00 C ATOM 1017 OD1 ASN A 76 -17.281 -15.944 -7.556 1.00 0.00 O ATOM 1018 ND2 ASN A 76 -16.196 -14.169 -8.379 1.00 0.00 N ATOM 0 H ASN A 76 -15.684 -13.874 -3.616 1.00 0.00 H new ATOM 0 HA ASN A 76 -17.946 -14.862 -5.204 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -15.774 -13.560 -5.981 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -15.028 -15.143 -5.893 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -16.539 -14.346 -9.323 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -15.584 -13.373 -8.199 1.00 0.00 H new ATOM 1025 N THR A 77 -16.043 -16.682 -3.381 1.00 0.00 N ATOM 1026 CA THR A 77 -15.777 -18.015 -2.882 1.00 0.00 C ATOM 1027 C THR A 77 -16.974 -18.542 -2.093 1.00 0.00 C ATOM 1028 O THR A 77 -17.587 -17.815 -1.310 1.00 0.00 O ATOM 1029 CB THR A 77 -14.513 -18.015 -1.995 1.00 0.00 C ATOM 1030 OG1 THR A 77 -13.371 -17.655 -2.787 1.00 0.00 O ATOM 1031 CG2 THR A 77 -14.277 -19.374 -1.347 1.00 0.00 C ATOM 0 H THR A 77 -15.660 -15.935 -2.801 1.00 0.00 H new ATOM 0 HA THR A 77 -15.607 -18.672 -3.735 1.00 0.00 H new ATOM 0 HB THR A 77 -14.663 -17.286 -1.198 1.00 0.00 H new ATOM 0 HG1 THR A 77 -13.436 -16.712 -3.046 1.00 0.00 H new ATOM 0 HG21 THR A 77 -13.379 -19.332 -0.731 1.00 0.00 H new ATOM 0 HG22 THR A 77 -15.133 -19.633 -0.723 1.00 0.00 H new ATOM 0 HG23 THR A 77 -14.151 -20.130 -2.122 1.00 0.00 H new ATOM 1064 N MET B 29 9.493 3.585 9.385 1.00 0.00 N ATOM 1065 CA MET B 29 10.226 2.369 9.086 1.00 0.00 C ATOM 1066 C MET B 29 11.708 2.674 8.929 1.00 0.00 C ATOM 1067 O MET B 29 12.476 1.837 8.459 1.00 0.00 O ATOM 1068 CB MET B 29 9.673 1.706 7.820 1.00 0.00 C ATOM 1069 CG MET B 29 9.674 2.608 6.598 1.00 0.00 C ATOM 1070 SD MET B 29 8.844 1.855 5.185 1.00 0.00 S ATOM 1071 CE MET B 29 8.777 3.243 4.057 1.00 0.00 C ATOM 0 HA MET B 29 10.102 1.674 9.916 1.00 0.00 H new ATOM 0 HB2 MET B 29 10.262 0.816 7.602 1.00 0.00 H new ATOM 0 HB3 MET B 29 8.653 1.374 8.012 1.00 0.00 H new ATOM 0 HG2 MET B 29 9.183 3.549 6.845 1.00 0.00 H new ATOM 0 HG3 MET B 29 10.702 2.846 6.327 1.00 0.00 H new ATOM 0 HE1 MET B 29 8.242 2.952 3.153 1.00 0.00 H new ATOM 0 HE2 MET B 29 8.258 4.075 4.534 1.00 0.00 H new ATOM 0 HE3 MET B 29 9.790 3.549 3.796 1.00 0.00 H new ATOM 1081 N SER B 30 12.098 3.885 9.317 1.00 0.00 N ATOM 1082 CA SER B 30 13.486 4.322 9.240 1.00 0.00 C ATOM 1083 C SER B 30 14.401 3.356 9.985 1.00 0.00 C ATOM 1084 O SER B 30 15.358 2.832 9.417 1.00 0.00 O ATOM 1085 CB SER B 30 13.606 5.725 9.833 1.00 0.00 C ATOM 1086 OG SER B 30 12.320 6.296 10.030 1.00 0.00 O ATOM 0 H SER B 30 11.462 4.588 9.692 1.00 0.00 H new ATOM 0 HA SER B 30 13.794 4.339 8.195 1.00 0.00 H new ATOM 0 HB2 SER B 30 14.139 5.680 10.783 1.00 0.00 H new ATOM 0 HB3 SER B 30 14.193 6.358 9.168 1.00 0.00 H new ATOM 0 HG SER B 30 12.156 6.977 9.345 1.00 0.00 H new ATOM 1092 N ALA B 31 14.104 3.147 11.265 1.00 0.00 N ATOM 1093 CA ALA B 31 14.873 2.230 12.105 1.00 0.00 C ATOM 1094 C ALA B 31 14.997 0.855 11.454 1.00 0.00 C ATOM 1095 O ALA B 31 16.015 0.178 11.596 1.00 0.00 O ATOM 1096 CB ALA B 31 14.235 2.111 13.479 1.00 0.00 C ATOM 0 H ALA B 31 13.330 3.604 11.747 1.00 0.00 H new ATOM 0 HA ALA B 31 15.877 2.639 12.217 1.00 0.00 H new ATOM 0 HB1 ALA B 31 14.819 1.425 14.093 1.00 0.00 H new ATOM 0 HB2 ALA B 31 14.210 3.091 13.954 1.00 0.00 H new ATOM 0 HB3 ALA B 31 13.219 1.731 13.377 1.00 0.00 H new ATOM 1102 N TRP B 32 13.959 0.458 10.731 1.00 0.00 N ATOM 1103 CA TRP B 32 13.949 -0.822 10.046 1.00 0.00 C ATOM 1104 C TRP B 32 14.837 -0.771 8.801 1.00 0.00 C ATOM 1105 O TRP B 32 15.636 -1.674 8.562 1.00 0.00 O ATOM 1106 CB TRP B 32 12.513 -1.203 9.671 1.00 0.00 C ATOM 1107 CG TRP B 32 12.429 -2.369 8.738 1.00 0.00 C ATOM 1108 CD1 TRP B 32 12.686 -3.675 9.035 1.00 0.00 C ATOM 1109 CD2 TRP B 32 12.068 -2.332 7.353 1.00 0.00 C ATOM 1110 NE1 TRP B 32 12.508 -4.451 7.919 1.00 0.00 N ATOM 1111 CE2 TRP B 32 12.129 -3.652 6.875 1.00 0.00 C ATOM 1112 CE3 TRP B 32 11.700 -1.313 6.474 1.00 0.00 C ATOM 1113 CZ2 TRP B 32 11.835 -3.980 5.554 1.00 0.00 C ATOM 1114 CZ3 TRP B 32 11.410 -1.639 5.163 1.00 0.00 C ATOM 1115 CH2 TRP B 32 11.477 -2.963 4.715 1.00 0.00 C ATOM 0 H TRP B 32 13.110 1.009 10.605 1.00 0.00 H new ATOM 0 HA TRP B 32 14.349 -1.583 10.716 1.00 0.00 H new ATOM 0 HB2 TRP B 32 11.958 -1.435 10.580 1.00 0.00 H new ATOM 0 HB3 TRP B 32 12.026 -0.343 9.210 1.00 0.00 H new ATOM 0 HD1 TRP B 32 12.985 -4.043 10.005 1.00 0.00 H new ATOM 0 HE1 TRP B 32 12.637 -5.462 7.874 1.00 0.00 H new ATOM 0 HE3 TRP B 32 11.643 -0.289 6.812 1.00 0.00 H new ATOM 0 HZ2 TRP B 32 11.888 -5.001 5.206 1.00 0.00 H new ATOM 0 HZ3 TRP B 32 11.127 -0.859 4.472 1.00 0.00 H new ATOM 0 HH2 TRP B 32 11.241 -3.185 3.685 1.00 0.00 H new ATOM 1126 N LEU B 33 14.706 0.296 8.018 1.00 0.00 N ATOM 1127 CA LEU B 33 15.499 0.459 6.807 1.00 0.00 C ATOM 1128 C LEU B 33 16.981 0.607 7.140 1.00 0.00 C ATOM 1129 O LEU B 33 17.843 0.234 6.339 1.00 0.00 O ATOM 1130 CB LEU B 33 15.015 1.672 6.010 1.00 0.00 C ATOM 1131 CG LEU B 33 13.734 1.456 5.200 1.00 0.00 C ATOM 1132 CD1 LEU B 33 13.140 2.790 4.781 1.00 0.00 C ATOM 1133 CD2 LEU B 33 14.008 0.594 3.976 1.00 0.00 C ATOM 0 H LEU B 33 14.057 1.061 8.202 1.00 0.00 H new ATOM 0 HA LEU B 33 15.372 -0.436 6.199 1.00 0.00 H new ATOM 0 HB2 LEU B 33 14.852 2.499 6.702 1.00 0.00 H new ATOM 0 HB3 LEU B 33 15.809 1.978 5.328 1.00 0.00 H new ATOM 0 HG LEU B 33 13.015 0.936 5.833 1.00 0.00 H new ATOM 0 HD11 LEU B 33 12.230 2.619 4.206 1.00 0.00 H new ATOM 0 HD12 LEU B 33 12.904 3.378 5.668 1.00 0.00 H new ATOM 0 HD13 LEU B 33 13.860 3.332 4.168 1.00 0.00 H new ATOM 0 HD21 LEU B 33 13.084 0.454 3.416 1.00 0.00 H new ATOM 0 HD22 LEU B 33 14.746 1.086 3.342 1.00 0.00 H new ATOM 0 HD23 LEU B 33 14.391 -0.376 4.293 1.00 0.00 H new ATOM 1145 N ARG B 34 17.277 1.168 8.317 1.00 0.00 N ATOM 1146 CA ARG B 34 18.658 1.344 8.776 1.00 0.00 C ATOM 1147 C ARG B 34 19.404 0.008 8.854 1.00 0.00 C ATOM 1148 O ARG B 34 20.628 -0.018 8.977 1.00 0.00 O ATOM 1149 CB ARG B 34 18.682 2.027 10.149 1.00 0.00 C ATOM 1150 CG ARG B 34 20.051 2.563 10.538 1.00 0.00 C ATOM 1151 CD ARG B 34 20.255 3.985 10.040 1.00 0.00 C ATOM 1152 NE ARG B 34 19.772 4.974 11.002 1.00 0.00 N ATOM 1153 CZ ARG B 34 19.740 6.289 10.781 1.00 0.00 C ATOM 1154 NH1 ARG B 34 20.106 6.787 9.606 1.00 0.00 N ATOM 1155 NH2 ARG B 34 19.325 7.109 11.736 1.00 0.00 N ATOM 0 H ARG B 34 16.574 1.510 8.972 1.00 0.00 H new ATOM 0 HA ARG B 34 19.165 1.975 8.046 1.00 0.00 H new ATOM 0 HB2 ARG B 34 17.966 2.849 10.149 1.00 0.00 H new ATOM 0 HB3 ARG B 34 18.351 1.315 10.905 1.00 0.00 H new ATOM 0 HG2 ARG B 34 20.158 2.537 11.622 1.00 0.00 H new ATOM 0 HG3 ARG B 34 20.826 1.917 10.126 1.00 0.00 H new ATOM 0 HD2 ARG B 34 21.314 4.154 9.847 1.00 0.00 H new ATOM 0 HD3 ARG B 34 19.733 4.116 9.092 1.00 0.00 H new ATOM 0 HE ARG B 34 19.437 4.635 11.904 1.00 0.00 H new ATOM 0 HH11 ARG B 34 20.416 6.162 8.861 1.00 0.00 H new ATOM 0 HH12 ARG B 34 20.078 7.794 9.448 1.00 0.00 H new ATOM 0 HH21 ARG B 34 19.031 6.734 12.638 1.00 0.00 H new ATOM 0 HH22 ARG B 34 19.300 8.115 11.569 1.00 0.00 H new ATOM 1169 N ALA B 35 18.665 -1.091 8.758 1.00 0.00 N ATOM 1170 CA ALA B 35 19.265 -2.418 8.804 1.00 0.00 C ATOM 1171 C ALA B 35 20.166 -2.622 7.590 1.00 0.00 C ATOM 1172 O ALA B 35 21.130 -3.385 7.633 1.00 0.00 O ATOM 1173 CB ALA B 35 18.194 -3.495 8.859 1.00 0.00 C ATOM 0 H ALA B 35 17.651 -1.089 8.648 1.00 0.00 H new ATOM 0 HA ALA B 35 19.867 -2.496 9.709 1.00 0.00 H new ATOM 0 HB1 ALA B 35 18.667 -4.477 8.893 1.00 0.00 H new ATOM 0 HB2 ALA B 35 17.583 -3.356 9.751 1.00 0.00 H new ATOM 0 HB3 ALA B 35 17.563 -3.426 7.973 1.00 0.00 H new ATOM 1179 N ILE B 36 19.841 -1.919 6.509 1.00 0.00 N ATOM 1180 CA ILE B 36 20.612 -1.993 5.274 1.00 0.00 C ATOM 1181 C ILE B 36 20.979 -0.593 4.796 1.00 0.00 C ATOM 1182 O ILE B 36 21.393 -0.399 3.652 1.00 0.00 O ATOM 1183 CB ILE B 36 19.835 -2.721 4.156 1.00 0.00 C ATOM 1184 CG1 ILE B 36 18.417 -2.145 4.020 1.00 0.00 C ATOM 1185 CG2 ILE B 36 19.793 -4.216 4.439 1.00 0.00 C ATOM 1186 CD1 ILE B 36 17.777 -2.401 2.671 1.00 0.00 C ATOM 0 H ILE B 36 19.042 -1.287 6.465 1.00 0.00 H new ATOM 0 HA ILE B 36 21.516 -2.562 5.492 1.00 0.00 H new ATOM 0 HB ILE B 36 20.351 -2.564 3.209 1.00 0.00 H new ATOM 0 HG12 ILE B 36 17.785 -2.574 4.798 1.00 0.00 H new ATOM 0 HG13 ILE B 36 18.454 -1.070 4.196 1.00 0.00 H new ATOM 0 HG21 ILE B 36 19.243 -4.721 3.645 1.00 0.00 H new ATOM 0 HG22 ILE B 36 20.810 -4.607 4.482 1.00 0.00 H new ATOM 0 HG23 ILE B 36 19.296 -4.392 5.393 1.00 0.00 H new ATOM 0 HD11 ILE B 36 16.779 -1.964 2.653 1.00 0.00 H new ATOM 0 HD12 ILE B 36 18.385 -1.948 1.888 1.00 0.00 H new ATOM 0 HD13 ILE B 36 17.706 -3.475 2.500 1.00 0.00 H new ATOM 1198 N GLY B 37 20.847 0.372 5.701 1.00 0.00 N ATOM 1199 CA GLY B 37 21.146 1.758 5.386 1.00 0.00 C ATOM 1200 C GLY B 37 20.334 2.308 4.226 1.00 0.00 C ATOM 1201 O GLY B 37 20.857 3.050 3.392 1.00 0.00 O ATOM 0 H GLY B 37 20.534 0.215 6.659 1.00 0.00 H new ATOM 0 HA2 GLY B 37 20.963 2.370 6.269 1.00 0.00 H new ATOM 0 HA3 GLY B 37 22.207 1.848 5.151 1.00 0.00 H new ATOM 1205 N LEU B 38 19.054 1.962 4.169 1.00 0.00 N ATOM 1206 CA LEU B 38 18.194 2.435 3.093 1.00 0.00 C ATOM 1207 C LEU B 38 17.114 3.370 3.622 1.00 0.00 C ATOM 1208 O LEU B 38 16.121 3.638 2.943 1.00 0.00 O ATOM 1209 CB LEU B 38 17.559 1.256 2.352 1.00 0.00 C ATOM 1210 CG LEU B 38 17.841 1.218 0.849 1.00 0.00 C ATOM 1211 CD1 LEU B 38 19.291 0.837 0.592 1.00 0.00 C ATOM 1212 CD2 LEU B 38 16.897 0.249 0.151 1.00 0.00 C ATOM 0 H LEU B 38 18.592 1.360 4.850 1.00 0.00 H new ATOM 0 HA LEU B 38 18.814 2.995 2.393 1.00 0.00 H new ATOM 0 HB2 LEU B 38 17.917 0.328 2.799 1.00 0.00 H new ATOM 0 HB3 LEU B 38 16.480 1.287 2.505 1.00 0.00 H new ATOM 0 HG LEU B 38 17.669 2.213 0.439 1.00 0.00 H new ATOM 0 HD11 LEU B 38 19.476 0.814 -0.482 1.00 0.00 H new ATOM 0 HD12 LEU B 38 19.948 1.571 1.058 1.00 0.00 H new ATOM 0 HD13 LEU B 38 19.489 -0.148 1.015 1.00 0.00 H new ATOM 0 HD21 LEU B 38 17.113 0.236 -0.917 1.00 0.00 H new ATOM 0 HD22 LEU B 38 17.034 -0.752 0.561 1.00 0.00 H new ATOM 0 HD23 LEU B 38 15.867 0.568 0.309 1.00 0.00 H new ATOM 1224 N GLU B 39 17.322 3.887 4.830 1.00 0.00 N ATOM 1225 CA GLU B 39 16.370 4.804 5.452 1.00 0.00 C ATOM 1226 C GLU B 39 16.293 6.105 4.662 1.00 0.00 C ATOM 1227 O GLU B 39 15.342 6.874 4.789 1.00 0.00 O ATOM 1228 CB GLU B 39 16.763 5.087 6.909 1.00 0.00 C ATOM 1229 CG GLU B 39 18.038 5.908 7.065 1.00 0.00 C ATOM 1230 CD GLU B 39 19.304 5.075 6.971 1.00 0.00 C ATOM 1231 OE1 GLU B 39 19.214 3.868 6.682 1.00 0.00 O ATOM 1232 OE2 GLU B 39 20.399 5.630 7.196 1.00 0.00 O ATOM 0 H GLU B 39 18.144 3.686 5.400 1.00 0.00 H new ATOM 0 HA GLU B 39 15.387 4.333 5.446 1.00 0.00 H new ATOM 0 HB2 GLU B 39 15.944 5.613 7.399 1.00 0.00 H new ATOM 0 HB3 GLU B 39 16.889 4.138 7.430 1.00 0.00 H new ATOM 0 HG2 GLU B 39 18.061 6.680 6.296 1.00 0.00 H new ATOM 0 HG3 GLU B 39 18.018 6.418 8.028 1.00 0.00 H new ATOM 1239 N ARG B 40 17.294 6.317 3.820 1.00 0.00 N ATOM 1240 CA ARG B 40 17.376 7.507 2.987 1.00 0.00 C ATOM 1241 C ARG B 40 16.267 7.523 1.935 1.00 0.00 C ATOM 1242 O ARG B 40 16.040 8.538 1.282 1.00 0.00 O ATOM 1243 CB ARG B 40 18.742 7.563 2.294 1.00 0.00 C ATOM 1244 CG ARG B 40 19.917 7.365 3.239 1.00 0.00 C ATOM 1245 CD ARG B 40 21.248 7.420 2.504 1.00 0.00 C ATOM 1246 NE ARG B 40 21.477 6.235 1.670 1.00 0.00 N ATOM 1247 CZ ARG B 40 22.055 6.272 0.466 1.00 0.00 C ATOM 1248 NH1 ARG B 40 22.454 7.428 -0.053 1.00 0.00 N ATOM 1249 NH2 ARG B 40 22.246 5.150 -0.220 1.00 0.00 N ATOM 0 H ARG B 40 18.072 5.669 3.695 1.00 0.00 H new ATOM 0 HA ARG B 40 17.252 8.379 3.629 1.00 0.00 H new ATOM 0 HB2 ARG B 40 18.778 6.797 1.519 1.00 0.00 H new ATOM 0 HB3 ARG B 40 18.847 8.526 1.795 1.00 0.00 H new ATOM 0 HG2 ARG B 40 19.896 8.134 4.011 1.00 0.00 H new ATOM 0 HG3 ARG B 40 19.820 6.404 3.744 1.00 0.00 H new ATOM 0 HD2 ARG B 40 21.278 8.312 1.878 1.00 0.00 H new ATOM 0 HD3 ARG B 40 22.057 7.512 3.229 1.00 0.00 H new ATOM 0 HE ARG B 40 21.177 5.329 2.031 1.00 0.00 H new ATOM 0 HH11 ARG B 40 22.320 8.294 0.468 1.00 0.00 H new ATOM 0 HH12 ARG B 40 22.895 7.449 -0.973 1.00 0.00 H new ATOM 0 HH21 ARG B 40 21.951 4.256 0.172 1.00 0.00 H new ATOM 0 HH22 ARG B 40 22.688 5.183 -1.139 1.00 0.00 H new ATOM 1263 N TYR B 41 15.574 6.399 1.780 1.00 0.00 N ATOM 1264 CA TYR B 41 14.510 6.296 0.791 1.00 0.00 C ATOM 1265 C TYR B 41 13.123 6.262 1.431 1.00 0.00 C ATOM 1266 O TYR B 41 12.120 6.255 0.716 1.00 0.00 O ATOM 1267 CB TYR B 41 14.710 5.048 -0.071 1.00 0.00 C ATOM 1268 CG TYR B 41 15.595 5.277 -1.276 1.00 0.00 C ATOM 1269 CD1 TYR B 41 16.980 5.243 -1.164 1.00 0.00 C ATOM 1270 CD2 TYR B 41 15.044 5.529 -2.525 1.00 0.00 C ATOM 1271 CE1 TYR B 41 17.790 5.454 -2.264 1.00 0.00 C ATOM 1272 CE2 TYR B 41 15.846 5.742 -3.630 1.00 0.00 C ATOM 1273 CZ TYR B 41 17.217 5.702 -3.495 1.00 0.00 C ATOM 1274 OH TYR B 41 18.019 5.915 -4.595 1.00 0.00 O ATOM 0 H TYR B 41 15.730 5.551 2.325 1.00 0.00 H new ATOM 0 HA TYR B 41 14.564 7.189 0.169 1.00 0.00 H new ATOM 0 HB2 TYR B 41 15.144 4.259 0.543 1.00 0.00 H new ATOM 0 HB3 TYR B 41 13.737 4.690 -0.408 1.00 0.00 H new ATOM 0 HD1 TYR B 41 17.431 5.049 -0.202 1.00 0.00 H new ATOM 0 HD2 TYR B 41 13.970 5.559 -2.635 1.00 0.00 H new ATOM 0 HE1 TYR B 41 18.865 5.425 -2.161 1.00 0.00 H new ATOM 0 HE2 TYR B 41 15.401 5.939 -4.594 1.00 0.00 H new ATOM 0 HH TYR B 41 17.458 6.074 -5.383 1.00 0.00 H new ATOM 1284 N GLU B 42 13.063 6.231 2.765 1.00 0.00 N ATOM 1285 CA GLU B 42 11.780 6.196 3.474 1.00 0.00 C ATOM 1286 C GLU B 42 10.836 7.290 2.976 1.00 0.00 C ATOM 1287 O GLU B 42 9.723 7.001 2.537 1.00 0.00 O ATOM 1288 CB GLU B 42 11.986 6.340 4.990 1.00 0.00 C ATOM 1289 CG GLU B 42 10.687 6.263 5.786 1.00 0.00 C ATOM 1290 CD GLU B 42 10.871 6.497 7.274 1.00 0.00 C ATOM 1291 OE1 GLU B 42 11.702 7.347 7.656 1.00 0.00 O ATOM 1292 OE2 GLU B 42 10.176 5.830 8.078 1.00 0.00 O ATOM 0 H GLU B 42 13.882 6.229 3.373 1.00 0.00 H new ATOM 0 HA GLU B 42 11.325 5.227 3.268 1.00 0.00 H new ATOM 0 HB2 GLU B 42 12.662 5.557 5.334 1.00 0.00 H new ATOM 0 HB3 GLU B 42 12.473 7.293 5.194 1.00 0.00 H new ATOM 0 HG2 GLU B 42 9.987 7.001 5.395 1.00 0.00 H new ATOM 0 HG3 GLU B 42 10.235 5.283 5.634 1.00 0.00 H new ATOM 1299 N GLU B 43 11.286 8.540 3.074 1.00 0.00 N ATOM 1300 CA GLU B 43 10.504 9.698 2.636 1.00 0.00 C ATOM 1301 C GLU B 43 9.884 9.501 1.247 1.00 0.00 C ATOM 1302 O GLU B 43 8.697 9.769 1.051 1.00 0.00 O ATOM 1303 CB GLU B 43 11.376 10.952 2.641 1.00 0.00 C ATOM 1304 CG GLU B 43 10.575 12.244 2.667 1.00 0.00 C ATOM 1305 CD GLU B 43 11.452 13.471 2.793 1.00 0.00 C ATOM 1306 OE1 GLU B 43 12.547 13.364 3.380 1.00 0.00 O ATOM 1307 OE2 GLU B 43 11.050 14.549 2.308 1.00 0.00 O ATOM 0 H GLU B 43 12.200 8.780 3.458 1.00 0.00 H new ATOM 0 HA GLU B 43 9.683 9.813 3.343 1.00 0.00 H new ATOM 0 HB2 GLU B 43 12.035 10.924 3.509 1.00 0.00 H new ATOM 0 HB3 GLU B 43 12.013 10.946 1.757 1.00 0.00 H new ATOM 0 HG2 GLU B 43 9.982 12.318 1.755 1.00 0.00 H new ATOM 0 HG3 GLU B 43 9.874 12.216 3.501 1.00 0.00 H new ATOM 1314 N GLY B 44 10.677 9.007 0.301 1.00 0.00 N ATOM 1315 CA GLY B 44 10.177 8.799 -1.048 1.00 0.00 C ATOM 1316 C GLY B 44 9.111 7.721 -1.105 1.00 0.00 C ATOM 1317 O GLY B 44 8.156 7.812 -1.879 1.00 0.00 O ATOM 0 H GLY B 44 11.653 8.748 0.443 1.00 0.00 H new ATOM 0 HA2 GLY B 44 9.766 9.734 -1.429 1.00 0.00 H new ATOM 0 HA3 GLY B 44 11.005 8.524 -1.702 1.00 0.00 H new ATOM 1321 N LEU B 45 9.272 6.705 -0.272 1.00 0.00 N ATOM 1322 CA LEU B 45 8.330 5.600 -0.212 1.00 0.00 C ATOM 1323 C LEU B 45 7.013 6.044 0.428 1.00 0.00 C ATOM 1324 O LEU B 45 5.937 5.839 -0.139 1.00 0.00 O ATOM 1325 CB LEU B 45 8.943 4.438 0.578 1.00 0.00 C ATOM 1326 CG LEU B 45 10.109 3.721 -0.108 1.00 0.00 C ATOM 1327 CD1 LEU B 45 10.812 2.793 0.870 1.00 0.00 C ATOM 1328 CD2 LEU B 45 9.618 2.941 -1.319 1.00 0.00 C ATOM 0 H LEU B 45 10.054 6.624 0.377 1.00 0.00 H new ATOM 0 HA LEU B 45 8.117 5.267 -1.228 1.00 0.00 H new ATOM 0 HB2 LEU B 45 9.287 4.817 1.540 1.00 0.00 H new ATOM 0 HB3 LEU B 45 8.160 3.708 0.784 1.00 0.00 H new ATOM 0 HG LEU B 45 10.822 4.472 -0.447 1.00 0.00 H new ATOM 0 HD11 LEU B 45 11.638 2.291 0.366 1.00 0.00 H new ATOM 0 HD12 LEU B 45 11.197 3.373 1.709 1.00 0.00 H new ATOM 0 HD13 LEU B 45 10.105 2.049 1.237 1.00 0.00 H new ATOM 0 HD21 LEU B 45 10.460 2.438 -1.794 1.00 0.00 H new ATOM 0 HD22 LEU B 45 8.885 2.200 -1.001 1.00 0.00 H new ATOM 0 HD23 LEU B 45 9.157 3.626 -2.030 1.00 0.00 H new ATOM 1340 N VAL B 46 7.110 6.651 1.609 1.00 0.00 N ATOM 1341 CA VAL B 46 5.940 7.127 2.352 1.00 0.00 C ATOM 1342 C VAL B 46 5.049 8.059 1.528 1.00 0.00 C ATOM 1343 O VAL B 46 3.827 7.924 1.546 1.00 0.00 O ATOM 1344 CB VAL B 46 6.365 7.861 3.647 1.00 0.00 C ATOM 1345 CG1 VAL B 46 5.156 8.430 4.382 1.00 0.00 C ATOM 1346 CG2 VAL B 46 7.155 6.929 4.553 1.00 0.00 C ATOM 0 H VAL B 46 7.998 6.827 2.079 1.00 0.00 H new ATOM 0 HA VAL B 46 5.363 6.235 2.598 1.00 0.00 H new ATOM 0 HB VAL B 46 7.006 8.696 3.365 1.00 0.00 H new ATOM 0 HG11 VAL B 46 5.487 8.939 5.287 1.00 0.00 H new ATOM 0 HG12 VAL B 46 4.638 9.138 3.736 1.00 0.00 H new ATOM 0 HG13 VAL B 46 4.478 7.619 4.649 1.00 0.00 H new ATOM 0 HG21 VAL B 46 7.446 7.462 5.458 1.00 0.00 H new ATOM 0 HG22 VAL B 46 6.538 6.071 4.819 1.00 0.00 H new ATOM 0 HG23 VAL B 46 8.048 6.586 4.032 1.00 0.00 H new ATOM 1356 N HIS B 47 5.658 8.991 0.800 1.00 0.00 N ATOM 1357 CA HIS B 47 4.889 9.944 0.005 1.00 0.00 C ATOM 1358 C HIS B 47 4.045 9.239 -1.048 1.00 0.00 C ATOM 1359 O HIS B 47 2.862 9.542 -1.209 1.00 0.00 O ATOM 1360 CB HIS B 47 5.801 10.953 -0.689 1.00 0.00 C ATOM 1361 CG HIS B 47 5.088 12.215 -1.082 1.00 0.00 C ATOM 1362 ND1 HIS B 47 3.746 12.271 -1.394 1.00 0.00 N ATOM 1363 CD2 HIS B 47 5.550 13.487 -1.196 1.00 0.00 C ATOM 1364 CE1 HIS B 47 3.440 13.540 -1.679 1.00 0.00 C ATOM 1365 NE2 HIS B 47 4.497 14.320 -1.574 1.00 0.00 N ATOM 0 H HIS B 47 6.670 9.107 0.744 1.00 0.00 H new ATOM 0 HA HIS B 47 4.232 10.469 0.699 1.00 0.00 H new ATOM 0 HB2 HIS B 47 6.630 11.202 -0.026 1.00 0.00 H new ATOM 0 HB3 HIS B 47 6.232 10.493 -1.579 1.00 0.00 H new ATOM 0 HD1 HIS B 47 3.100 11.482 -1.405 1.00 0.00 H new ATOM 0 HD2 HIS B 47 6.568 13.803 -1.022 1.00 0.00 H new ATOM 0 HE1 HIS B 47 2.455 13.882 -1.959 1.00 0.00 H new ATOM 1373 N ASN B 48 4.663 8.323 -1.779 1.00 0.00 N ATOM 1374 CA ASN B 48 3.963 7.587 -2.820 1.00 0.00 C ATOM 1375 C ASN B 48 2.824 6.780 -2.223 1.00 0.00 C ATOM 1376 O ASN B 48 1.682 6.865 -2.675 1.00 0.00 O ATOM 1377 CB ASN B 48 4.917 6.651 -3.562 1.00 0.00 C ATOM 1378 CG ASN B 48 5.313 7.179 -4.926 1.00 0.00 C ATOM 1379 OD1 ASN B 48 4.532 7.854 -5.589 1.00 0.00 O ATOM 1380 ND2 ASN B 48 6.532 6.880 -5.353 1.00 0.00 N ATOM 0 H ASN B 48 5.646 8.072 -1.671 1.00 0.00 H new ATOM 0 HA ASN B 48 3.560 8.311 -3.528 1.00 0.00 H new ATOM 0 HB2 ASN B 48 5.814 6.502 -2.961 1.00 0.00 H new ATOM 0 HB3 ASN B 48 4.445 5.675 -3.678 1.00 0.00 H new ATOM 0 HD21 ASN B 48 6.850 7.214 -6.263 1.00 0.00 H new ATOM 0 HD22 ASN B 48 7.152 6.316 -4.772 1.00 0.00 H new ATOM 1387 N GLY B 49 3.148 6.019 -1.192 1.00 0.00 N ATOM 1388 CA GLY B 49 2.165 5.189 -0.531 1.00 0.00 C ATOM 1389 C GLY B 49 2.726 3.828 -0.206 1.00 0.00 C ATOM 1390 O GLY B 49 2.115 2.803 -0.502 1.00 0.00 O ATOM 0 H GLY B 49 4.086 5.961 -0.797 1.00 0.00 H new ATOM 0 HA2 GLY B 49 1.832 5.676 0.386 1.00 0.00 H new ATOM 0 HA3 GLY B 49 1.289 5.080 -1.170 1.00 0.00 H new ATOM 1394 N TRP B 50 3.914 3.819 0.377 1.00 0.00 N ATOM 1395 CA TRP B 50 4.571 2.577 0.735 1.00 0.00 C ATOM 1396 C TRP B 50 4.990 2.603 2.201 1.00 0.00 C ATOM 1397 O TRP B 50 5.898 1.882 2.606 1.00 0.00 O ATOM 1398 CB TRP B 50 5.798 2.328 -0.153 1.00 0.00 C ATOM 1399 CG TRP B 50 5.549 2.495 -1.626 1.00 0.00 C ATOM 1400 CD1 TRP B 50 5.900 3.566 -2.396 1.00 0.00 C ATOM 1401 CD2 TRP B 50 4.908 1.564 -2.509 1.00 0.00 C ATOM 1402 NE1 TRP B 50 5.515 3.360 -3.698 1.00 0.00 N ATOM 1403 CE2 TRP B 50 4.905 2.140 -3.793 1.00 0.00 C ATOM 1404 CE3 TRP B 50 4.337 0.301 -2.340 1.00 0.00 C ATOM 1405 CZ2 TRP B 50 4.354 1.497 -4.898 1.00 0.00 C ATOM 1406 CZ3 TRP B 50 3.790 -0.336 -3.437 1.00 0.00 C ATOM 1407 CH2 TRP B 50 3.803 0.261 -4.702 1.00 0.00 C ATOM 0 H TRP B 50 4.442 4.660 0.612 1.00 0.00 H new ATOM 0 HA TRP B 50 3.861 1.764 0.580 1.00 0.00 H new ATOM 0 HB2 TRP B 50 6.592 3.011 0.148 1.00 0.00 H new ATOM 0 HB3 TRP B 50 6.162 1.317 0.028 1.00 0.00 H new ATOM 0 HD1 TRP B 50 6.407 4.448 -2.034 1.00 0.00 H new ATOM 0 HE1 TRP B 50 5.661 4.012 -4.469 1.00 0.00 H new ATOM 0 HE3 TRP B 50 4.323 -0.170 -1.368 1.00 0.00 H new ATOM 0 HZ2 TRP B 50 4.361 1.958 -5.875 1.00 0.00 H new ATOM 0 HZ3 TRP B 50 3.344 -1.312 -3.316 1.00 0.00 H new ATOM 0 HH2 TRP B 50 3.369 -0.264 -5.540 1.00 0.00 H new ATOM 1418 N ASP B 51 4.308 3.422 2.998 1.00 0.00 N ATOM 1419 CA ASP B 51 4.610 3.533 4.425 1.00 0.00 C ATOM 1420 C ASP B 51 3.955 2.390 5.193 1.00 0.00 C ATOM 1421 O ASP B 51 4.032 2.319 6.422 1.00 0.00 O ATOM 1422 CB ASP B 51 4.153 4.891 4.990 1.00 0.00 C ATOM 1423 CG ASP B 51 2.659 5.131 4.871 1.00 0.00 C ATOM 1424 OD1 ASP B 51 2.110 4.911 3.779 1.00 0.00 O ATOM 1425 OD2 ASP B 51 2.032 5.548 5.878 1.00 0.00 O ATOM 0 H ASP B 51 3.543 4.018 2.682 1.00 0.00 H new ATOM 0 HA ASP B 51 5.691 3.468 4.547 1.00 0.00 H new ATOM 0 HB2 ASP B 51 4.439 4.952 6.040 1.00 0.00 H new ATOM 0 HB3 ASP B 51 4.683 5.688 4.468 1.00 0.00 H new ATOM 1430 N ASP B 52 3.309 1.496 4.457 1.00 0.00 N ATOM 1431 CA ASP B 52 2.648 0.338 5.045 1.00 0.00 C ATOM 1432 C ASP B 52 3.608 -0.831 5.112 1.00 0.00 C ATOM 1433 O ASP B 52 3.895 -1.457 4.094 1.00 0.00 O ATOM 1434 CB ASP B 52 1.429 -0.091 4.222 1.00 0.00 C ATOM 1435 CG ASP B 52 0.692 1.069 3.607 1.00 0.00 C ATOM 1436 OD1 ASP B 52 0.118 1.865 4.365 1.00 0.00 O ATOM 1437 OD2 ASP B 52 0.701 1.186 2.366 1.00 0.00 O ATOM 0 H ASP B 52 3.228 1.552 3.442 1.00 0.00 H new ATOM 0 HA ASP B 52 2.322 0.625 6.045 1.00 0.00 H new ATOM 0 HB2 ASP B 52 1.752 -0.768 3.431 1.00 0.00 H new ATOM 0 HB3 ASP B 52 0.745 -0.650 4.861 1.00 0.00 H new ATOM 1442 N LEU B 53 4.098 -1.128 6.303 1.00 0.00 N ATOM 1443 CA LEU B 53 5.023 -2.239 6.486 1.00 0.00 C ATOM 1444 C LEU B 53 4.301 -3.572 6.311 1.00 0.00 C ATOM 1445 O LEU B 53 4.912 -4.579 5.969 1.00 0.00 O ATOM 1446 CB LEU B 53 5.675 -2.166 7.868 1.00 0.00 C ATOM 1447 CG LEU B 53 6.772 -1.109 8.015 1.00 0.00 C ATOM 1448 CD1 LEU B 53 7.135 -0.916 9.479 1.00 0.00 C ATOM 1449 CD2 LEU B 53 8.002 -1.506 7.215 1.00 0.00 C ATOM 0 H LEU B 53 3.873 -0.618 7.157 1.00 0.00 H new ATOM 0 HA LEU B 53 5.803 -2.167 5.728 1.00 0.00 H new ATOM 0 HB2 LEU B 53 4.900 -1.967 8.608 1.00 0.00 H new ATOM 0 HB3 LEU B 53 6.099 -3.142 8.104 1.00 0.00 H new ATOM 0 HG LEU B 53 6.393 -0.164 7.625 1.00 0.00 H new ATOM 0 HD11 LEU B 53 7.916 -0.161 9.564 1.00 0.00 H new ATOM 0 HD12 LEU B 53 6.254 -0.590 10.032 1.00 0.00 H new ATOM 0 HD13 LEU B 53 7.495 -1.858 9.892 1.00 0.00 H new ATOM 0 HD21 LEU B 53 8.773 -0.744 7.330 1.00 0.00 H new ATOM 0 HD22 LEU B 53 8.380 -2.462 7.579 1.00 0.00 H new ATOM 0 HD23 LEU B 53 7.737 -1.598 6.162 1.00 0.00 H new ATOM 1461 N GLU B 54 2.990 -3.557 6.525 1.00 0.00 N ATOM 1462 CA GLU B 54 2.168 -4.757 6.400 1.00 0.00 C ATOM 1463 C GLU B 54 2.045 -5.188 4.942 1.00 0.00 C ATOM 1464 O GLU B 54 2.179 -6.364 4.613 1.00 0.00 O ATOM 1465 CB GLU B 54 0.772 -4.500 6.972 1.00 0.00 C ATOM 1466 CG GLU B 54 0.761 -4.234 8.467 1.00 0.00 C ATOM 1467 CD GLU B 54 1.063 -5.477 9.275 1.00 0.00 C ATOM 1468 OE1 GLU B 54 0.116 -6.213 9.624 1.00 0.00 O ATOM 1469 OE2 GLU B 54 2.253 -5.740 9.547 1.00 0.00 O ATOM 0 H GLU B 54 2.470 -2.720 6.788 1.00 0.00 H new ATOM 0 HA GLU B 54 2.653 -5.556 6.961 1.00 0.00 H new ATOM 0 HB2 GLU B 54 0.330 -3.647 6.457 1.00 0.00 H new ATOM 0 HB3 GLU B 54 0.139 -5.362 6.761 1.00 0.00 H new ATOM 0 HG2 GLU B 54 1.496 -3.464 8.702 1.00 0.00 H new ATOM 0 HG3 GLU B 54 -0.214 -3.843 8.757 1.00 0.00 H new ATOM 1476 N PHE B 55 1.804 -4.221 4.069 1.00 0.00 N ATOM 1477 CA PHE B 55 1.639 -4.500 2.652 1.00 0.00 C ATOM 1478 C PHE B 55 2.951 -4.328 1.896 1.00 0.00 C ATOM 1479 O PHE B 55 2.994 -4.470 0.675 1.00 0.00 O ATOM 1480 CB PHE B 55 0.573 -3.575 2.060 1.00 0.00 C ATOM 1481 CG PHE B 55 -0.456 -4.296 1.238 1.00 0.00 C ATOM 1482 CD1 PHE B 55 -0.198 -4.629 -0.082 1.00 0.00 C ATOM 1483 CD2 PHE B 55 -1.677 -4.647 1.788 1.00 0.00 C ATOM 1484 CE1 PHE B 55 -1.140 -5.299 -0.837 1.00 0.00 C ATOM 1485 CE2 PHE B 55 -2.624 -5.314 1.036 1.00 0.00 C ATOM 1486 CZ PHE B 55 -2.354 -5.642 -0.278 1.00 0.00 C ATOM 0 H PHE B 55 1.718 -3.236 4.318 1.00 0.00 H new ATOM 0 HA PHE B 55 1.322 -5.538 2.547 1.00 0.00 H new ATOM 0 HB2 PHE B 55 0.073 -3.045 2.870 1.00 0.00 H new ATOM 0 HB3 PHE B 55 1.060 -2.823 1.440 1.00 0.00 H new ATOM 0 HD1 PHE B 55 0.750 -4.362 -0.525 1.00 0.00 H new ATOM 0 HD2 PHE B 55 -1.891 -4.396 2.816 1.00 0.00 H new ATOM 0 HE1 PHE B 55 -0.927 -5.554 -1.864 1.00 0.00 H new ATOM 0 HE2 PHE B 55 -3.575 -5.579 1.475 1.00 0.00 H new ATOM 0 HZ PHE B 55 -3.092 -6.166 -0.867 1.00 0.00 H new ATOM 1496 N LEU B 56 4.025 -4.040 2.621 1.00 0.00 N ATOM 1497 CA LEU B 56 5.329 -3.831 1.998 1.00 0.00 C ATOM 1498 C LEU B 56 5.906 -5.140 1.475 1.00 0.00 C ATOM 1499 O LEU B 56 6.766 -5.138 0.597 1.00 0.00 O ATOM 1500 CB LEU B 56 6.296 -3.176 2.986 1.00 0.00 C ATOM 1501 CG LEU B 56 7.474 -2.427 2.353 1.00 0.00 C ATOM 1502 CD1 LEU B 56 6.984 -1.405 1.335 1.00 0.00 C ATOM 1503 CD2 LEU B 56 8.302 -1.745 3.428 1.00 0.00 C ATOM 0 H LEU B 56 4.021 -3.946 3.637 1.00 0.00 H new ATOM 0 HA LEU B 56 5.192 -3.162 1.149 1.00 0.00 H new ATOM 0 HB2 LEU B 56 5.736 -2.478 3.608 1.00 0.00 H new ATOM 0 HB3 LEU B 56 6.691 -3.947 3.648 1.00 0.00 H new ATOM 0 HG LEU B 56 8.100 -3.152 1.833 1.00 0.00 H new ATOM 0 HD11 LEU B 56 7.838 -0.887 0.900 1.00 0.00 H new ATOM 0 HD12 LEU B 56 6.428 -1.914 0.547 1.00 0.00 H new ATOM 0 HD13 LEU B 56 6.334 -0.682 1.829 1.00 0.00 H new ATOM 0 HD21 LEU B 56 9.135 -1.217 2.965 1.00 0.00 H new ATOM 0 HD22 LEU B 56 7.679 -1.035 3.971 1.00 0.00 H new ATOM 0 HD23 LEU B 56 8.687 -2.494 4.121 1.00 0.00 H new ATOM 1515 N SER B 57 5.421 -6.251 2.010 1.00 0.00 N ATOM 1516 CA SER B 57 5.878 -7.567 1.588 1.00 0.00 C ATOM 1517 C SER B 57 5.397 -7.868 0.166 1.00 0.00 C ATOM 1518 O SER B 57 6.005 -8.662 -0.557 1.00 0.00 O ATOM 1519 CB SER B 57 5.364 -8.624 2.564 1.00 0.00 C ATOM 1520 OG SER B 57 5.355 -8.123 3.894 1.00 0.00 O ATOM 0 H SER B 57 4.709 -6.267 2.740 1.00 0.00 H new ATOM 0 HA SER B 57 6.968 -7.585 1.588 1.00 0.00 H new ATOM 0 HB2 SER B 57 4.357 -8.929 2.279 1.00 0.00 H new ATOM 0 HB3 SER B 57 5.994 -9.512 2.510 1.00 0.00 H new ATOM 0 HG SER B 57 5.021 -8.815 4.502 1.00 0.00 H new ATOM 1526 N ASP B 58 4.304 -7.222 -0.228 1.00 0.00 N ATOM 1527 CA ASP B 58 3.743 -7.394 -1.562 1.00 0.00 C ATOM 1528 C ASP B 58 4.145 -6.207 -2.425 1.00 0.00 C ATOM 1529 O ASP B 58 3.469 -5.175 -2.443 1.00 0.00 O ATOM 1530 CB ASP B 58 2.217 -7.514 -1.502 1.00 0.00 C ATOM 1531 CG ASP B 58 1.675 -8.619 -2.394 1.00 0.00 C ATOM 1532 OD1 ASP B 58 2.040 -8.671 -3.587 1.00 0.00 O ATOM 1533 OD2 ASP B 58 0.877 -9.445 -1.899 1.00 0.00 O ATOM 0 H ASP B 58 3.787 -6.571 0.363 1.00 0.00 H new ATOM 0 HA ASP B 58 4.133 -8.314 -1.997 1.00 0.00 H new ATOM 0 HB2 ASP B 58 1.913 -7.703 -0.473 1.00 0.00 H new ATOM 0 HB3 ASP B 58 1.771 -6.564 -1.797 1.00 0.00 H new ATOM 1538 N ILE B 59 5.273 -6.344 -3.102 1.00 0.00 N ATOM 1539 CA ILE B 59 5.794 -5.288 -3.953 1.00 0.00 C ATOM 1540 C ILE B 59 6.675 -5.896 -5.046 1.00 0.00 C ATOM 1541 O ILE B 59 7.375 -6.885 -4.807 1.00 0.00 O ATOM 1542 CB ILE B 59 6.591 -4.258 -3.109 1.00 0.00 C ATOM 1543 CG1 ILE B 59 6.827 -2.968 -3.892 1.00 0.00 C ATOM 1544 CG2 ILE B 59 7.914 -4.843 -2.637 1.00 0.00 C ATOM 1545 CD1 ILE B 59 7.312 -1.821 -3.031 1.00 0.00 C ATOM 0 H ILE B 59 5.850 -7.185 -3.078 1.00 0.00 H new ATOM 0 HA ILE B 59 4.963 -4.764 -4.425 1.00 0.00 H new ATOM 0 HB ILE B 59 5.991 -4.019 -2.231 1.00 0.00 H new ATOM 0 HG12 ILE B 59 7.559 -3.157 -4.677 1.00 0.00 H new ATOM 0 HG13 ILE B 59 5.899 -2.676 -4.384 1.00 0.00 H new ATOM 0 HG21 ILE B 59 8.451 -4.099 -2.048 1.00 0.00 H new ATOM 0 HG22 ILE B 59 7.724 -5.724 -2.023 1.00 0.00 H new ATOM 0 HG23 ILE B 59 8.516 -5.126 -3.501 1.00 0.00 H new ATOM 0 HD11 ILE B 59 7.459 -0.937 -3.652 1.00 0.00 H new ATOM 0 HD12 ILE B 59 6.571 -1.605 -2.261 1.00 0.00 H new ATOM 0 HD13 ILE B 59 8.256 -2.094 -2.559 1.00 0.00 H new ATOM 1557 N THR B 60 6.618 -5.340 -6.248 1.00 0.00 N ATOM 1558 CA THR B 60 7.413 -5.857 -7.352 1.00 0.00 C ATOM 1559 C THR B 60 8.637 -4.986 -7.599 1.00 0.00 C ATOM 1560 O THR B 60 8.805 -3.945 -6.961 1.00 0.00 O ATOM 1561 CB THR B 60 6.586 -5.943 -8.650 1.00 0.00 C ATOM 1562 OG1 THR B 60 6.387 -4.635 -9.198 1.00 0.00 O ATOM 1563 CG2 THR B 60 5.238 -6.599 -8.395 1.00 0.00 C ATOM 0 H THR B 60 6.034 -4.537 -6.482 1.00 0.00 H new ATOM 0 HA THR B 60 7.734 -6.860 -7.069 1.00 0.00 H new ATOM 0 HB THR B 60 7.141 -6.554 -9.362 1.00 0.00 H new ATOM 0 HG1 THR B 60 5.535 -4.272 -8.878 1.00 0.00 H new ATOM 0 HG21 THR B 60 4.675 -6.647 -9.327 1.00 0.00 H new ATOM 0 HG22 THR B 60 5.391 -7.608 -8.011 1.00 0.00 H new ATOM 0 HG23 THR B 60 4.681 -6.013 -7.664 1.00 0.00 H new ATOM 1571 N GLU B 61 9.487 -5.411 -8.530 1.00 0.00 N ATOM 1572 CA GLU B 61 10.689 -4.660 -8.868 1.00 0.00 C ATOM 1573 C GLU B 61 10.322 -3.344 -9.545 1.00 0.00 C ATOM 1574 O GLU B 61 11.067 -2.366 -9.474 1.00 0.00 O ATOM 1575 CB GLU B 61 11.598 -5.481 -9.779 1.00 0.00 C ATOM 1576 CG GLU B 61 12.331 -6.600 -9.059 1.00 0.00 C ATOM 1577 CD GLU B 61 13.791 -6.668 -9.448 1.00 0.00 C ATOM 1578 OE1 GLU B 61 14.561 -5.773 -9.046 1.00 0.00 O ATOM 1579 OE2 GLU B 61 14.181 -7.611 -10.169 1.00 0.00 O ATOM 0 H GLU B 61 9.364 -6.272 -9.063 1.00 0.00 H new ATOM 0 HA GLU B 61 11.226 -4.443 -7.945 1.00 0.00 H new ATOM 0 HB2 GLU B 61 11.001 -5.909 -10.584 1.00 0.00 H new ATOM 0 HB3 GLU B 61 12.329 -4.818 -10.242 1.00 0.00 H new ATOM 0 HG2 GLU B 61 12.250 -6.451 -7.982 1.00 0.00 H new ATOM 0 HG3 GLU B 61 11.851 -7.552 -9.286 1.00 0.00 H new ATOM 1586 N GLU B 62 9.166 -3.327 -10.197 1.00 0.00 N ATOM 1587 CA GLU B 62 8.694 -2.133 -10.877 1.00 0.00 C ATOM 1588 C GLU B 62 8.111 -1.157 -9.863 1.00 0.00 C ATOM 1589 O GLU B 62 8.164 0.059 -10.050 1.00 0.00 O ATOM 1590 CB GLU B 62 7.649 -2.493 -11.934 1.00 0.00 C ATOM 1591 CG GLU B 62 8.222 -3.269 -13.111 1.00 0.00 C ATOM 1592 CD GLU B 62 7.195 -3.533 -14.192 1.00 0.00 C ATOM 1593 OE1 GLU B 62 6.684 -2.562 -14.782 1.00 0.00 O ATOM 1594 OE2 GLU B 62 6.890 -4.717 -14.455 1.00 0.00 O ATOM 0 H GLU B 62 8.539 -4.129 -10.268 1.00 0.00 H new ATOM 0 HA GLU B 62 9.537 -1.659 -11.380 1.00 0.00 H new ATOM 0 HB2 GLU B 62 6.860 -3.084 -11.468 1.00 0.00 H new ATOM 0 HB3 GLU B 62 7.186 -1.578 -12.303 1.00 0.00 H new ATOM 0 HG2 GLU B 62 9.057 -2.712 -13.537 1.00 0.00 H new ATOM 0 HG3 GLU B 62 8.621 -4.219 -12.755 1.00 0.00 H new ATOM 1601 N ASP B 63 7.594 -1.700 -8.765 1.00 0.00 N ATOM 1602 CA ASP B 63 7.010 -0.888 -7.694 1.00 0.00 C ATOM 1603 C ASP B 63 8.108 -0.316 -6.805 1.00 0.00 C ATOM 1604 O ASP B 63 7.868 0.083 -5.668 1.00 0.00 O ATOM 1605 CB ASP B 63 6.055 -1.716 -6.832 1.00 0.00 C ATOM 1606 CG ASP B 63 4.824 -2.186 -7.572 1.00 0.00 C ATOM 1607 OD1 ASP B 63 3.999 -1.335 -7.967 1.00 0.00 O ATOM 1608 OD2 ASP B 63 4.676 -3.411 -7.751 1.00 0.00 O ATOM 0 H ASP B 63 7.566 -2.704 -8.590 1.00 0.00 H new ATOM 0 HA ASP B 63 6.453 -0.077 -8.162 1.00 0.00 H new ATOM 0 HB2 ASP B 63 6.589 -2.584 -6.444 1.00 0.00 H new ATOM 0 HB3 ASP B 63 5.747 -1.121 -5.972 1.00 0.00 H new ATOM 1613 N LEU B 64 9.306 -0.248 -7.354 1.00 0.00 N ATOM 1614 CA LEU B 64 10.456 0.264 -6.636 1.00 0.00 C ATOM 1615 C LEU B 64 10.933 1.518 -7.339 1.00 0.00 C ATOM 1616 O LEU B 64 10.972 2.598 -6.749 1.00 0.00 O ATOM 1617 CB LEU B 64 11.575 -0.781 -6.574 1.00 0.00 C ATOM 1618 CG LEU B 64 11.223 -2.075 -5.836 1.00 0.00 C ATOM 1619 CD1 LEU B 64 12.434 -2.988 -5.761 1.00 0.00 C ATOM 1620 CD2 LEU B 64 10.698 -1.776 -4.440 1.00 0.00 C ATOM 0 H LEU B 64 9.508 -0.546 -8.308 1.00 0.00 H new ATOM 0 HA LEU B 64 10.175 0.496 -5.609 1.00 0.00 H new ATOM 0 HB2 LEU B 64 11.871 -1.032 -7.592 1.00 0.00 H new ATOM 0 HB3 LEU B 64 12.443 -0.332 -6.091 1.00 0.00 H new ATOM 0 HG LEU B 64 10.437 -2.583 -6.395 1.00 0.00 H new ATOM 0 HD11 LEU B 64 12.167 -3.904 -5.233 1.00 0.00 H new ATOM 0 HD12 LEU B 64 12.767 -3.234 -6.769 1.00 0.00 H new ATOM 0 HD13 LEU B 64 13.238 -2.482 -5.226 1.00 0.00 H new ATOM 0 HD21 LEU B 64 10.455 -2.711 -3.935 1.00 0.00 H new ATOM 0 HD22 LEU B 64 11.460 -1.244 -3.871 1.00 0.00 H new ATOM 0 HD23 LEU B 64 9.802 -1.159 -4.513 1.00 0.00 H new ATOM 1632 N GLU B 65 11.342 1.347 -8.594 1.00 0.00 N ATOM 1633 CA GLU B 65 11.774 2.461 -9.436 1.00 0.00 C ATOM 1634 C GLU B 65 10.782 3.631 -9.386 1.00 0.00 C ATOM 1635 O GLU B 65 11.176 4.788 -9.525 1.00 0.00 O ATOM 1636 CB GLU B 65 11.980 1.984 -10.878 1.00 0.00 C ATOM 1637 CG GLU B 65 10.697 1.755 -11.659 1.00 0.00 C ATOM 1638 CD GLU B 65 10.623 2.616 -12.906 1.00 0.00 C ATOM 1639 OE1 GLU B 65 11.343 3.636 -12.973 1.00 0.00 O ATOM 1640 OE2 GLU B 65 9.839 2.279 -13.822 1.00 0.00 O ATOM 0 H GLU B 65 11.383 0.438 -9.054 1.00 0.00 H new ATOM 0 HA GLU B 65 12.724 2.827 -9.045 1.00 0.00 H new ATOM 0 HB2 GLU B 65 12.585 2.720 -11.407 1.00 0.00 H new ATOM 0 HB3 GLU B 65 12.550 1.055 -10.861 1.00 0.00 H new ATOM 0 HG2 GLU B 65 10.628 0.704 -11.941 1.00 0.00 H new ATOM 0 HG3 GLU B 65 9.841 1.971 -11.019 1.00 0.00 H new ATOM 1647 N GLU B 66 9.503 3.326 -9.152 1.00 0.00 N ATOM 1648 CA GLU B 66 8.465 4.352 -9.062 1.00 0.00 C ATOM 1649 C GLU B 66 8.732 5.306 -7.896 1.00 0.00 C ATOM 1650 O GLU B 66 8.253 6.439 -7.883 1.00 0.00 O ATOM 1651 CB GLU B 66 7.088 3.713 -8.875 1.00 0.00 C ATOM 1652 CG GLU B 66 6.540 3.038 -10.120 1.00 0.00 C ATOM 1653 CD GLU B 66 5.076 2.674 -9.976 1.00 0.00 C ATOM 1654 OE1 GLU B 66 4.486 2.955 -8.909 1.00 0.00 O ATOM 1655 OE2 GLU B 66 4.496 2.113 -10.929 1.00 0.00 O ATOM 0 H GLU B 66 9.162 2.373 -9.021 1.00 0.00 H new ATOM 0 HA GLU B 66 8.483 4.915 -9.995 1.00 0.00 H new ATOM 0 HB2 GLU B 66 7.147 2.977 -8.073 1.00 0.00 H new ATOM 0 HB3 GLU B 66 6.385 4.481 -8.552 1.00 0.00 H new ATOM 0 HG2 GLU B 66 6.665 3.701 -10.976 1.00 0.00 H new ATOM 0 HG3 GLU B 66 7.118 2.137 -10.327 1.00 0.00 H new ATOM 1662 N ALA B 67 9.492 4.840 -6.915 1.00 0.00 N ATOM 1663 CA ALA B 67 9.814 5.650 -5.750 1.00 0.00 C ATOM 1664 C ALA B 67 11.232 6.204 -5.837 1.00 0.00 C ATOM 1665 O ALA B 67 11.744 6.772 -4.877 1.00 0.00 O ATOM 1666 CB ALA B 67 9.638 4.835 -4.476 1.00 0.00 C ATOM 0 H ALA B 67 9.897 3.904 -6.903 1.00 0.00 H new ATOM 0 HA ALA B 67 9.126 6.495 -5.726 1.00 0.00 H new ATOM 0 HB1 ALA B 67 9.882 5.453 -3.612 1.00 0.00 H new ATOM 0 HB2 ALA B 67 8.604 4.497 -4.400 1.00 0.00 H new ATOM 0 HB3 ALA B 67 10.301 3.970 -4.503 1.00 0.00 H new ATOM 1672 N GLY B 68 11.864 6.033 -6.991 1.00 0.00 N ATOM 1673 CA GLY B 68 13.213 6.533 -7.172 1.00 0.00 C ATOM 1674 C GLY B 68 14.259 5.442 -7.097 1.00 0.00 C ATOM 1675 O GLY B 68 15.439 5.685 -7.346 1.00 0.00 O ATOM 0 H GLY B 68 11.468 5.559 -7.803 1.00 0.00 H new ATOM 0 HA2 GLY B 68 13.284 7.032 -8.139 1.00 0.00 H new ATOM 0 HA3 GLY B 68 13.422 7.284 -6.410 1.00 0.00 H new ATOM 1679 N VAL B 69 13.831 4.232 -6.764 1.00 0.00 N ATOM 1680 CA VAL B 69 14.747 3.104 -6.659 1.00 0.00 C ATOM 1681 C VAL B 69 15.021 2.517 -8.042 1.00 0.00 C ATOM 1682 O VAL B 69 14.596 1.406 -8.360 1.00 0.00 O ATOM 1683 CB VAL B 69 14.193 2.005 -5.726 1.00 0.00 C ATOM 1684 CG1 VAL B 69 15.293 1.030 -5.329 1.00 0.00 C ATOM 1685 CG2 VAL B 69 13.551 2.619 -4.489 1.00 0.00 C ATOM 0 H VAL B 69 12.857 4.006 -6.562 1.00 0.00 H new ATOM 0 HA VAL B 69 15.678 3.474 -6.229 1.00 0.00 H new ATOM 0 HB VAL B 69 13.427 1.454 -6.271 1.00 0.00 H new ATOM 0 HG11 VAL B 69 14.881 0.264 -4.672 1.00 0.00 H new ATOM 0 HG12 VAL B 69 15.702 0.559 -6.223 1.00 0.00 H new ATOM 0 HG13 VAL B 69 16.085 1.568 -4.808 1.00 0.00 H new ATOM 0 HG21 VAL B 69 13.168 1.826 -3.846 1.00 0.00 H new ATOM 0 HG22 VAL B 69 14.294 3.201 -3.944 1.00 0.00 H new ATOM 0 HG23 VAL B 69 12.731 3.270 -4.790 1.00 0.00 H new ATOM 1695 N GLN B 70 15.728 3.278 -8.864 1.00 0.00 N ATOM 1696 CA GLN B 70 16.052 2.856 -10.221 1.00 0.00 C ATOM 1697 C GLN B 70 17.459 2.275 -10.297 1.00 0.00 C ATOM 1698 O GLN B 70 18.107 2.315 -11.344 1.00 0.00 O ATOM 1699 CB GLN B 70 15.909 4.036 -11.183 1.00 0.00 C ATOM 1700 CG GLN B 70 14.462 4.403 -11.457 1.00 0.00 C ATOM 1701 CD GLN B 70 14.301 5.691 -12.234 1.00 0.00 C ATOM 1702 OE1 GLN B 70 15.154 6.578 -12.180 1.00 0.00 O ATOM 1703 NE2 GLN B 70 13.199 5.801 -12.959 1.00 0.00 N ATOM 0 H GLN B 70 16.091 4.198 -8.614 1.00 0.00 H new ATOM 0 HA GLN B 70 15.352 2.072 -10.511 1.00 0.00 H new ATOM 0 HB2 GLN B 70 16.426 4.901 -10.768 1.00 0.00 H new ATOM 0 HB3 GLN B 70 16.401 3.792 -12.124 1.00 0.00 H new ATOM 0 HG2 GLN B 70 13.989 3.592 -12.011 1.00 0.00 H new ATOM 0 HG3 GLN B 70 13.932 4.492 -10.508 1.00 0.00 H new ATOM 0 HE21 GLN B 70 12.520 5.040 -12.973 1.00 0.00 H new ATOM 0 HE22 GLN B 70 13.029 6.647 -13.503 1.00 0.00 H new ATOM 1712 N ASP B 71 17.920 1.726 -9.184 1.00 0.00 N ATOM 1713 CA ASP B 71 19.246 1.129 -9.115 1.00 0.00 C ATOM 1714 C ASP B 71 19.137 -0.368 -8.833 1.00 0.00 C ATOM 1715 O ASP B 71 18.402 -0.781 -7.934 1.00 0.00 O ATOM 1716 CB ASP B 71 20.081 1.819 -8.035 1.00 0.00 C ATOM 1717 CG ASP B 71 21.377 1.091 -7.752 1.00 0.00 C ATOM 1718 OD1 ASP B 71 22.312 1.190 -8.569 1.00 0.00 O ATOM 1719 OD2 ASP B 71 21.461 0.414 -6.713 1.00 0.00 O ATOM 0 H ASP B 71 17.393 1.681 -8.312 1.00 0.00 H new ATOM 0 HA ASP B 71 19.743 1.265 -10.076 1.00 0.00 H new ATOM 0 HB2 ASP B 71 20.302 2.840 -8.348 1.00 0.00 H new ATOM 0 HB3 ASP B 71 19.498 1.886 -7.117 1.00 0.00 H new ATOM 1724 N PRO B 72 19.859 -1.199 -9.606 1.00 0.00 N ATOM 1725 CA PRO B 72 19.830 -2.660 -9.457 1.00 0.00 C ATOM 1726 C PRO B 72 20.263 -3.136 -8.071 1.00 0.00 C ATOM 1727 O PRO B 72 19.656 -4.048 -7.510 1.00 0.00 O ATOM 1728 CB PRO B 72 20.809 -3.164 -10.526 1.00 0.00 C ATOM 1729 CG PRO B 72 21.634 -1.980 -10.899 1.00 0.00 C ATOM 1730 CD PRO B 72 20.757 -0.779 -10.694 1.00 0.00 C ATOM 0 HA PRO B 72 18.816 -3.042 -9.574 1.00 0.00 H new ATOM 0 HB2 PRO B 72 21.432 -3.970 -10.139 1.00 0.00 H new ATOM 0 HB3 PRO B 72 20.276 -3.560 -11.391 1.00 0.00 H new ATOM 0 HG2 PRO B 72 22.529 -1.919 -10.280 1.00 0.00 H new ATOM 0 HG3 PRO B 72 21.966 -2.047 -11.935 1.00 0.00 H new ATOM 0 HD2 PRO B 72 21.338 0.101 -10.419 1.00 0.00 H new ATOM 0 HD3 PRO B 72 20.203 -0.526 -11.598 1.00 0.00 H new ATOM 1738 N ALA B 73 21.295 -2.511 -7.516 1.00 0.00 N ATOM 1739 CA ALA B 73 21.797 -2.893 -6.203 1.00 0.00 C ATOM 1740 C ALA B 73 20.770 -2.584 -5.119 1.00 0.00 C ATOM 1741 O ALA B 73 20.508 -3.410 -4.246 1.00 0.00 O ATOM 1742 CB ALA B 73 23.114 -2.193 -5.910 1.00 0.00 C ATOM 0 H ALA B 73 21.799 -1.740 -7.954 1.00 0.00 H new ATOM 0 HA ALA B 73 21.973 -3.969 -6.206 1.00 0.00 H new ATOM 0 HB1 ALA B 73 23.473 -2.491 -4.925 1.00 0.00 H new ATOM 0 HB2 ALA B 73 23.850 -2.472 -6.664 1.00 0.00 H new ATOM 0 HB3 ALA B 73 22.965 -1.113 -5.930 1.00 0.00 H new ATOM 1748 N HIS B 74 20.174 -1.399 -5.195 1.00 0.00 N ATOM 1749 CA HIS B 74 19.172 -0.979 -4.222 1.00 0.00 C ATOM 1750 C HIS B 74 17.933 -1.869 -4.288 1.00 0.00 C ATOM 1751 O HIS B 74 17.356 -2.211 -3.256 1.00 0.00 O ATOM 1752 CB HIS B 74 18.780 0.484 -4.441 1.00 0.00 C ATOM 1753 CG HIS B 74 19.766 1.457 -3.871 1.00 0.00 C ATOM 1754 ND1 HIS B 74 21.016 1.678 -4.399 1.00 0.00 N ATOM 1755 CD2 HIS B 74 19.666 2.274 -2.791 1.00 0.00 C ATOM 1756 CE1 HIS B 74 21.628 2.597 -3.644 1.00 0.00 C ATOM 1757 NE2 HIS B 74 20.851 2.993 -2.653 1.00 0.00 N ATOM 0 H HIS B 74 20.368 -0.711 -5.922 1.00 0.00 H new ATOM 0 HA HIS B 74 19.614 -1.078 -3.231 1.00 0.00 H new ATOM 0 HB2 HIS B 74 18.676 0.668 -5.510 1.00 0.00 H new ATOM 0 HB3 HIS B 74 17.804 0.662 -3.990 1.00 0.00 H new ATOM 0 HD1 HIS B 74 21.408 1.221 -5.222 1.00 0.00 H new ATOM 0 HD2 HIS B 74 18.806 2.354 -2.143 1.00 0.00 H new ATOM 0 HE1 HIS B 74 22.627 2.967 -3.822 1.00 0.00 H new ATOM 1765 N LYS B 75 17.527 -2.240 -5.498 1.00 0.00 N ATOM 1766 CA LYS B 75 16.364 -3.105 -5.674 1.00 0.00 C ATOM 1767 C LYS B 75 16.649 -4.481 -5.087 1.00 0.00 C ATOM 1768 O LYS B 75 15.887 -4.988 -4.262 1.00 0.00 O ATOM 1769 CB LYS B 75 15.996 -3.228 -7.153 1.00 0.00 C ATOM 1770 CG LYS B 75 15.411 -1.956 -7.746 1.00 0.00 C ATOM 1771 CD LYS B 75 14.758 -2.213 -9.098 1.00 0.00 C ATOM 1772 CE LYS B 75 15.770 -2.669 -10.139 1.00 0.00 C ATOM 1773 NZ LYS B 75 15.376 -3.957 -10.765 1.00 0.00 N ATOM 0 H LYS B 75 17.982 -1.958 -6.366 1.00 0.00 H new ATOM 0 HA LYS B 75 15.519 -2.660 -5.149 1.00 0.00 H new ATOM 0 HB2 LYS B 75 16.886 -3.505 -7.718 1.00 0.00 H new ATOM 0 HB3 LYS B 75 15.277 -4.038 -7.273 1.00 0.00 H new ATOM 0 HG2 LYS B 75 14.674 -1.540 -7.059 1.00 0.00 H new ATOM 0 HG3 LYS B 75 16.199 -1.211 -7.858 1.00 0.00 H new ATOM 0 HD2 LYS B 75 13.983 -2.971 -8.989 1.00 0.00 H new ATOM 0 HD3 LYS B 75 14.267 -1.303 -9.443 1.00 0.00 H new ATOM 0 HE2 LYS B 75 15.867 -1.905 -10.910 1.00 0.00 H new ATOM 0 HE3 LYS B 75 16.749 -2.777 -9.672 1.00 0.00 H new ATOM 0 HZ1 LYS B 75 16.082 -4.226 -11.480 1.00 0.00 H new ATOM 0 HZ2 LYS B 75 15.324 -4.696 -10.035 1.00 0.00 H new ATOM 0 HZ3 LYS B 75 14.446 -3.852 -11.218 1.00 0.00 H new ATOM 1787 N ARG B 76 17.745 -5.083 -5.543 1.00 0.00 N ATOM 1788 CA ARG B 76 18.176 -6.389 -5.056 1.00 0.00 C ATOM 1789 C ARG B 76 18.254 -6.396 -3.530 1.00 0.00 C ATOM 1790 O ARG B 76 17.821 -7.349 -2.879 1.00 0.00 O ATOM 1791 CB ARG B 76 19.539 -6.752 -5.655 1.00 0.00 C ATOM 1792 CG ARG B 76 19.899 -8.222 -5.515 1.00 0.00 C ATOM 1793 CD ARG B 76 19.042 -9.095 -6.418 1.00 0.00 C ATOM 1794 NE ARG B 76 19.294 -10.520 -6.202 1.00 0.00 N ATOM 1795 CZ ARG B 76 18.485 -11.492 -6.625 1.00 0.00 C ATOM 1796 NH1 ARG B 76 17.400 -11.199 -7.338 1.00 0.00 N ATOM 1797 NH2 ARG B 76 18.769 -12.761 -6.347 1.00 0.00 N ATOM 0 H ARG B 76 18.355 -4.682 -6.255 1.00 0.00 H new ATOM 0 HA ARG B 76 17.442 -7.132 -5.368 1.00 0.00 H new ATOM 0 HB2 ARG B 76 19.543 -6.486 -6.712 1.00 0.00 H new ATOM 0 HB3 ARG B 76 20.309 -6.151 -5.172 1.00 0.00 H new ATOM 0 HG2 ARG B 76 20.951 -8.365 -5.761 1.00 0.00 H new ATOM 0 HG3 ARG B 76 19.769 -8.532 -4.478 1.00 0.00 H new ATOM 0 HD2 ARG B 76 17.989 -8.881 -6.236 1.00 0.00 H new ATOM 0 HD3 ARG B 76 19.242 -8.845 -7.460 1.00 0.00 H new ATOM 0 HE ARG B 76 20.140 -10.786 -5.697 1.00 0.00 H new ATOM 0 HH11 ARG B 76 17.185 -10.228 -7.563 1.00 0.00 H new ATOM 0 HH12 ARG B 76 16.784 -11.946 -7.659 1.00 0.00 H new ATOM 0 HH21 ARG B 76 19.605 -12.991 -5.810 1.00 0.00 H new ATOM 0 HH22 ARG B 76 18.150 -13.505 -6.670 1.00 0.00 H new ATOM 1811 N LEU B 77 18.796 -5.318 -2.973 1.00 0.00 N ATOM 1812 CA LEU B 77 18.926 -5.171 -1.529 1.00 0.00 C ATOM 1813 C LEU B 77 17.552 -5.125 -0.866 1.00 0.00 C ATOM 1814 O LEU B 77 17.329 -5.761 0.165 1.00 0.00 O ATOM 1815 CB LEU B 77 19.705 -3.895 -1.197 1.00 0.00 C ATOM 1816 CG LEU B 77 21.076 -4.104 -0.547 1.00 0.00 C ATOM 1817 CD1 LEU B 77 20.920 -4.682 0.850 1.00 0.00 C ATOM 1818 CD2 LEU B 77 21.951 -5.005 -1.409 1.00 0.00 C ATOM 0 H LEU B 77 19.155 -4.526 -3.507 1.00 0.00 H new ATOM 0 HA LEU B 77 19.470 -6.034 -1.145 1.00 0.00 H new ATOM 0 HB2 LEU B 77 19.842 -3.326 -2.116 1.00 0.00 H new ATOM 0 HB3 LEU B 77 19.097 -3.283 -0.531 1.00 0.00 H new ATOM 0 HG LEU B 77 21.567 -3.135 -0.464 1.00 0.00 H new ATOM 0 HD11 LEU B 77 21.904 -4.824 1.297 1.00 0.00 H new ATOM 0 HD12 LEU B 77 20.338 -3.996 1.465 1.00 0.00 H new ATOM 0 HD13 LEU B 77 20.406 -5.642 0.791 1.00 0.00 H new ATOM 0 HD21 LEU B 77 22.920 -5.140 -0.928 1.00 0.00 H new ATOM 0 HD22 LEU B 77 21.468 -5.975 -1.529 1.00 0.00 H new ATOM 0 HD23 LEU B 77 22.092 -4.546 -2.388 1.00 0.00 H new ATOM 1830 N LEU B 78 16.634 -4.378 -1.469 1.00 0.00 N ATOM 1831 CA LEU B 78 15.282 -4.246 -0.943 1.00 0.00 C ATOM 1832 C LEU B 78 14.589 -5.602 -0.872 1.00 0.00 C ATOM 1833 O LEU B 78 14.072 -5.981 0.176 1.00 0.00 O ATOM 1834 CB LEU B 78 14.467 -3.279 -1.803 1.00 0.00 C ATOM 1835 CG LEU B 78 13.912 -2.063 -1.058 1.00 0.00 C ATOM 1836 CD1 LEU B 78 13.642 -0.924 -2.025 1.00 0.00 C ATOM 1837 CD2 LEU B 78 12.644 -2.431 -0.303 1.00 0.00 C ATOM 0 H LEU B 78 16.804 -3.853 -2.327 1.00 0.00 H new ATOM 0 HA LEU B 78 15.350 -3.845 0.068 1.00 0.00 H new ATOM 0 HB2 LEU B 78 15.094 -2.929 -2.623 1.00 0.00 H new ATOM 0 HB3 LEU B 78 13.635 -3.825 -2.248 1.00 0.00 H new ATOM 0 HG LEU B 78 14.659 -1.733 -0.336 1.00 0.00 H new ATOM 0 HD11 LEU B 78 13.248 -0.068 -1.478 1.00 0.00 H new ATOM 0 HD12 LEU B 78 14.570 -0.641 -2.522 1.00 0.00 H new ATOM 0 HD13 LEU B 78 12.914 -1.244 -2.770 1.00 0.00 H new ATOM 0 HD21 LEU B 78 12.264 -1.553 0.220 1.00 0.00 H new ATOM 0 HD22 LEU B 78 11.892 -2.787 -1.007 1.00 0.00 H new ATOM 0 HD23 LEU B 78 12.866 -3.217 0.419 1.00 0.00 H new ATOM 1849 N LEU B 79 14.588 -6.328 -1.988 1.00 0.00 N ATOM 1850 CA LEU B 79 13.966 -7.651 -2.048 1.00 0.00 C ATOM 1851 C LEU B 79 14.545 -8.576 -0.979 1.00 0.00 C ATOM 1852 O LEU B 79 13.804 -9.251 -0.260 1.00 0.00 O ATOM 1853 CB LEU B 79 14.164 -8.272 -3.434 1.00 0.00 C ATOM 1854 CG LEU B 79 12.997 -8.085 -4.410 1.00 0.00 C ATOM 1855 CD1 LEU B 79 12.811 -6.616 -4.760 1.00 0.00 C ATOM 1856 CD2 LEU B 79 13.225 -8.906 -5.670 1.00 0.00 C ATOM 0 H LEU B 79 15.011 -6.023 -2.864 1.00 0.00 H new ATOM 0 HA LEU B 79 12.899 -7.529 -1.860 1.00 0.00 H new ATOM 0 HB2 LEU B 79 15.061 -7.844 -3.881 1.00 0.00 H new ATOM 0 HB3 LEU B 79 14.347 -9.340 -3.313 1.00 0.00 H new ATOM 0 HG LEU B 79 12.087 -8.435 -3.924 1.00 0.00 H new ATOM 0 HD11 LEU B 79 11.977 -6.510 -5.454 1.00 0.00 H new ATOM 0 HD12 LEU B 79 12.602 -6.049 -3.853 1.00 0.00 H new ATOM 0 HD13 LEU B 79 13.720 -6.235 -5.225 1.00 0.00 H new ATOM 0 HD21 LEU B 79 12.388 -8.763 -6.354 1.00 0.00 H new ATOM 0 HD22 LEU B 79 14.147 -8.583 -6.153 1.00 0.00 H new ATOM 0 HD23 LEU B 79 13.303 -9.961 -5.408 1.00 0.00 H new ATOM 1868 N ASP B 80 15.869 -8.597 -0.887 1.00 0.00 N ATOM 1869 CA ASP B 80 16.563 -9.428 0.095 1.00 0.00 C ATOM 1870 C ASP B 80 16.126 -9.069 1.517 1.00 0.00 C ATOM 1871 O ASP B 80 15.861 -9.946 2.344 1.00 0.00 O ATOM 1872 CB ASP B 80 18.079 -9.267 -0.044 1.00 0.00 C ATOM 1873 CG ASP B 80 18.849 -10.218 0.851 1.00 0.00 C ATOM 1874 OD1 ASP B 80 18.471 -11.404 0.930 1.00 0.00 O ATOM 1875 OD2 ASP B 80 19.837 -9.785 1.475 1.00 0.00 O ATOM 0 H ASP B 80 16.488 -8.046 -1.482 1.00 0.00 H new ATOM 0 HA ASP B 80 16.300 -10.468 -0.096 1.00 0.00 H new ATOM 0 HB2 ASP B 80 18.365 -9.438 -1.082 1.00 0.00 H new ATOM 0 HB3 ASP B 80 18.356 -8.241 0.198 1.00 0.00 H new ATOM 1880 N THR B 81 16.022 -7.775 1.785 1.00 0.00 N ATOM 1881 CA THR B 81 15.619 -7.292 3.099 1.00 0.00 C ATOM 1882 C THR B 81 14.149 -7.609 3.385 1.00 0.00 C ATOM 1883 O THR B 81 13.773 -7.866 4.532 1.00 0.00 O ATOM 1884 CB THR B 81 15.863 -5.778 3.224 1.00 0.00 C ATOM 1885 OG1 THR B 81 17.199 -5.477 2.808 1.00 0.00 O ATOM 1886 CG2 THR B 81 15.659 -5.301 4.656 1.00 0.00 C ATOM 0 H THR B 81 16.212 -7.037 1.107 1.00 0.00 H new ATOM 0 HA THR B 81 16.231 -7.811 3.837 1.00 0.00 H new ATOM 0 HB THR B 81 15.145 -5.262 2.587 1.00 0.00 H new ATOM 0 HG1 THR B 81 17.257 -5.531 1.831 1.00 0.00 H new ATOM 0 HG21 THR B 81 15.839 -4.227 4.711 1.00 0.00 H new ATOM 0 HG22 THR B 81 14.637 -5.514 4.968 1.00 0.00 H new ATOM 0 HG23 THR B 81 16.355 -5.820 5.315 1.00 0.00 H new ATOM 1894 N LEU B 82 13.323 -7.599 2.342 1.00 0.00 N ATOM 1895 CA LEU B 82 11.902 -7.898 2.491 1.00 0.00 C ATOM 1896 C LEU B 82 11.712 -9.300 3.049 1.00 0.00 C ATOM 1897 O LEU B 82 10.996 -9.490 4.024 1.00 0.00 O ATOM 1898 CB LEU B 82 11.171 -7.767 1.154 1.00 0.00 C ATOM 1899 CG LEU B 82 11.052 -6.344 0.611 1.00 0.00 C ATOM 1900 CD1 LEU B 82 10.429 -6.361 -0.773 1.00 0.00 C ATOM 1901 CD2 LEU B 82 10.233 -5.473 1.553 1.00 0.00 C ATOM 0 H LEU B 82 13.612 -7.388 1.387 1.00 0.00 H new ATOM 0 HA LEU B 82 11.478 -7.176 3.188 1.00 0.00 H new ATOM 0 HB2 LEU B 82 11.688 -8.378 0.415 1.00 0.00 H new ATOM 0 HB3 LEU B 82 10.169 -8.181 1.265 1.00 0.00 H new ATOM 0 HG LEU B 82 12.053 -5.918 0.539 1.00 0.00 H new ATOM 0 HD11 LEU B 82 10.350 -5.341 -1.149 1.00 0.00 H new ATOM 0 HD12 LEU B 82 11.054 -6.948 -1.446 1.00 0.00 H new ATOM 0 HD13 LEU B 82 9.435 -6.806 -0.719 1.00 0.00 H new ATOM 0 HD21 LEU B 82 10.162 -4.464 1.146 1.00 0.00 H new ATOM 0 HD22 LEU B 82 9.233 -5.893 1.660 1.00 0.00 H new ATOM 0 HD23 LEU B 82 10.717 -5.437 2.529 1.00 0.00 H new ATOM 1913 N GLN B 83 12.380 -10.274 2.443 1.00 0.00 N ATOM 1914 CA GLN B 83 12.284 -11.660 2.894 1.00 0.00 C ATOM 1915 C GLN B 83 12.816 -11.794 4.316 1.00 0.00 C ATOM 1916 O GLN B 83 12.330 -12.602 5.105 1.00 0.00 O ATOM 1917 CB GLN B 83 13.075 -12.582 1.971 1.00 0.00 C ATOM 1918 CG GLN B 83 12.754 -12.412 0.498 1.00 0.00 C ATOM 1919 CD GLN B 83 13.702 -13.200 -0.380 1.00 0.00 C ATOM 1920 OE1 GLN B 83 14.854 -13.432 -0.012 1.00 0.00 O ATOM 1921 NE2 GLN B 83 13.230 -13.621 -1.539 1.00 0.00 N ATOM 0 H GLN B 83 12.993 -10.132 1.640 1.00 0.00 H new ATOM 0 HA GLN B 83 11.233 -11.949 2.872 1.00 0.00 H new ATOM 0 HB2 GLN B 83 14.139 -12.403 2.122 1.00 0.00 H new ATOM 0 HB3 GLN B 83 12.882 -13.616 2.256 1.00 0.00 H new ATOM 0 HG2 GLN B 83 11.730 -12.736 0.310 1.00 0.00 H new ATOM 0 HG3 GLN B 83 12.808 -11.356 0.234 1.00 0.00 H new ATOM 0 HE21 GLN B 83 12.269 -13.407 -1.806 1.00 0.00 H new ATOM 0 HE22 GLN B 83 13.826 -14.160 -2.167 1.00 0.00 H new ATOM 1930 N LEU B 84 13.821 -10.986 4.630 1.00 0.00 N ATOM 1931 CA LEU B 84 14.446 -10.984 5.947 1.00 0.00 C ATOM 1932 C LEU B 84 13.484 -10.476 7.024 1.00 0.00 C ATOM 1933 O LEU B 84 13.621 -10.808 8.203 1.00 0.00 O ATOM 1934 CB LEU B 84 15.697 -10.099 5.898 1.00 0.00 C ATOM 1935 CG LEU B 84 16.459 -9.948 7.214 1.00 0.00 C ATOM 1936 CD1 LEU B 84 17.143 -11.251 7.584 1.00 0.00 C ATOM 1937 CD2 LEU B 84 17.474 -8.820 7.109 1.00 0.00 C ATOM 0 H LEU B 84 14.226 -10.313 3.979 1.00 0.00 H new ATOM 0 HA LEU B 84 14.718 -12.007 6.208 1.00 0.00 H new ATOM 0 HB2 LEU B 84 16.378 -10.507 5.151 1.00 0.00 H new ATOM 0 HB3 LEU B 84 15.404 -9.107 5.554 1.00 0.00 H new ATOM 0 HG LEU B 84 15.748 -9.700 8.002 1.00 0.00 H new ATOM 0 HD11 LEU B 84 17.681 -11.125 8.524 1.00 0.00 H new ATOM 0 HD12 LEU B 84 16.395 -12.036 7.696 1.00 0.00 H new ATOM 0 HD13 LEU B 84 17.845 -11.529 6.798 1.00 0.00 H new ATOM 0 HD21 LEU B 84 18.010 -8.723 8.053 1.00 0.00 H new ATOM 0 HD22 LEU B 84 18.183 -9.041 6.311 1.00 0.00 H new ATOM 0 HD23 LEU B 84 16.958 -7.886 6.887 1.00 0.00 H new