USER MOD reduce.3.24.130724 H: found=0, std=0, add=1079, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1079 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 60 HIS :FLIP no HE2:sc= 0.173 F(o=-3.6,f=-0.024) USER MOD Set 1.2: A 95 GLN : amide:sc= -0.197 K(o=-0.024,f=-0.63) USER MOD Set 2.1: A 53 SER OG : rot 63:sc= 1.27 USER MOD Set 2.2: A 62 LYS NZ :NH3+ -178:sc= 1.94 (180deg=1.1) USER MOD Set 3.1: A 37 SER OG : rot 2:sc= 0.73 USER MOD Set 3.2: A 40 ASN : amide:sc= 0.26 K(o=1.1,f=-2.5!) USER MOD Set 3.3: A 80 ASN :FLIP amide:sc= 0.0633 F(o=-0.44,f=1.1) USER MOD Single : A 1 SER N :NH3+ -171:sc= 1.17 (180deg=1.1) USER MOD Single : A 1 SER OG : rot 105:sc= -0.627 USER MOD Single : A 2 MET CE :methyl -164:sc= -0.12 (180deg=-0.529) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ -110:sc= 0.285 (180deg=-0.975!) USER MOD Single : A 14 SER OG : rot 180:sc= -0.0262 USER MOD Single : A 17 LYS NZ :NH3+ -138:sc= -0.614 (180deg=-4.41!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc= -1.67 X(o=-1.7,f=-1.8) USER MOD Single : A 29 THR OG1 : rot 134:sc= -0.5 USER MOD Single : A 33 LYS NZ :NH3+ -113:sc= 0.65 (180deg=-1.65!) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 CYS SG : rot 57:sc= -1.93! USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -170:sc= 1.1 (180deg=0.958) USER MOD Single : A 54 LYS NZ :NH3+ -170:sc=-0.00723 (180deg=-0.141) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 GLN : amide:sc= -2.89! C(o=-2.9!,f=-5.5!) USER MOD Single : A 64 LYS NZ :NH3+ 166:sc= -0.0564 (180deg=-0.348) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -1.16 K(o=-1.2,f=-6.6!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 152:sc= 0.734 (180deg=0.572) USER MOD Single : A 84 HIS : no HE2:sc= 0.716 K(o=0.72,f=-2.3!) USER MOD Single : A 85 THR OG1 : rot 52:sc= -2.32! USER MOD Single : A 86 LYS NZ :NH3+ 152:sc= 1.65 (180deg=-0.441) USER MOD Single : A 90 THR OG1 : rot 10:sc= 1.21 USER MOD Single : A 91 ASN : amide:sc= 1.04 K(o=1,f=-0.075) USER MOD Single : A 92 SER OG : rot -37:sc= 0.496 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.027 USER MOD Single : A 99 HIS : no HD1:sc= -0.154 K(o=-0.15,f=-1.2) USER MOD Single : A 100 SER OG : rot -170:sc= 0 USER MOD Single : A 105 GLN :FLIP amide:sc= -0.978 F(o=-2.1,f=-0.98) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 49:sc= 0.569 USER MOD Single : A 110 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 112 MET CE :methyl 139:sc= -1.45! (180deg=-3.57!) USER MOD Single : A 114 GLN : amide:sc= -0.46 X(o=-0.46,f=-0.39) USER MOD Single : A 116 SER OG : rot -11:sc= 0.419 USER MOD Single : A 117 TYR OH : rot -89:sc= 0.176 USER MOD Single : A 118 THR OG1 : rot -116:sc= 0.12 USER MOD Single : A 122 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.106) USER MOD Single : A 123 SER OG : rot -51:sc= 1.33 USER MOD Single : A 126 TYR OH : rot 25:sc= -0.401 USER MOD Single : A 130 MET CE :methyl -171:sc= -0.933 (180deg=-1.29) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -14.705 -5.931 -10.639 1.00 0.00 N ATOM 2 CA SER A 1 -14.772 -6.387 -9.234 1.00 0.00 C ATOM 3 C SER A 1 -15.985 -7.294 -9.021 1.00 0.00 C ATOM 4 O SER A 1 -17.129 -6.868 -9.190 1.00 0.00 O ATOM 5 CB SER A 1 -14.838 -5.170 -8.296 1.00 0.00 C ATOM 6 OG SER A 1 -14.761 -5.554 -6.932 1.00 0.00 O ATOM 0 H1 SER A 1 -13.800 -5.445 -10.804 1.00 0.00 H new ATOM 0 H2 SER A 1 -14.778 -6.751 -11.274 1.00 0.00 H new ATOM 0 H3 SER A 1 -15.490 -5.275 -10.829 1.00 0.00 H new ATOM 0 HA SER A 1 -13.875 -6.962 -9.006 1.00 0.00 H new ATOM 0 HB2 SER A 1 -14.021 -4.487 -8.528 1.00 0.00 H new ATOM 0 HB3 SER A 1 -15.767 -4.627 -8.469 1.00 0.00 H new ATOM 0 HG SER A 1 -13.870 -5.342 -6.582 1.00 0.00 H new ATOM 14 N MET A 2 -15.726 -8.554 -8.673 1.00 0.00 N ATOM 15 CA MET A 2 -16.784 -9.508 -8.350 1.00 0.00 C ATOM 16 C MET A 2 -16.854 -9.695 -6.836 1.00 0.00 C ATOM 17 O MET A 2 -15.880 -10.123 -6.211 1.00 0.00 O ATOM 18 CB MET A 2 -16.538 -10.854 -9.061 1.00 0.00 C ATOM 19 CG MET A 2 -15.204 -11.516 -8.725 1.00 0.00 C ATOM 20 SD MET A 2 -14.908 -13.028 -9.670 1.00 0.00 S ATOM 21 CE MET A 2 -16.308 -14.033 -9.174 1.00 0.00 C ATOM 0 H MET A 2 -14.784 -8.939 -8.608 1.00 0.00 H new ATOM 0 HA MET A 2 -17.739 -9.118 -8.702 1.00 0.00 H new ATOM 0 HB2 MET A 2 -17.344 -11.540 -8.801 1.00 0.00 H new ATOM 0 HB3 MET A 2 -16.589 -10.695 -10.138 1.00 0.00 H new ATOM 0 HG2 MET A 2 -14.396 -10.810 -8.917 1.00 0.00 H new ATOM 0 HG3 MET A 2 -15.178 -11.749 -7.660 1.00 0.00 H new ATOM 0 HE1 MET A 2 -16.121 -15.074 -9.439 1.00 0.00 H new ATOM 0 HE2 MET A 2 -16.449 -13.953 -8.096 1.00 0.00 H new ATOM 0 HE3 MET A 2 -17.206 -13.684 -9.684 1.00 0.00 H new ATOM 31 N VAL A 3 -17.992 -9.347 -6.244 1.00 0.00 N ATOM 32 CA VAL A 3 -18.155 -9.409 -4.793 1.00 0.00 C ATOM 33 C VAL A 3 -19.626 -9.308 -4.388 1.00 0.00 C ATOM 34 O VAL A 3 -20.438 -8.707 -5.096 1.00 0.00 O ATOM 35 CB VAL A 3 -17.346 -8.280 -4.095 1.00 0.00 C ATOM 36 CG1 VAL A 3 -17.736 -6.907 -4.636 1.00 0.00 C ATOM 37 CG2 VAL A 3 -17.523 -8.335 -2.580 1.00 0.00 C ATOM 0 H VAL A 3 -18.817 -9.019 -6.746 1.00 0.00 H new ATOM 0 HA VAL A 3 -17.772 -10.377 -4.470 1.00 0.00 H new ATOM 0 HB VAL A 3 -16.292 -8.442 -4.319 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -17.154 -6.137 -4.129 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -17.536 -6.867 -5.707 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -18.798 -6.734 -4.459 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -16.946 -7.534 -2.117 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -18.577 -8.213 -2.332 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -17.172 -9.297 -2.207 1.00 0.00 H new ATOM 47 N SER A 4 -19.953 -9.913 -3.248 1.00 0.00 N ATOM 48 CA SER A 4 -21.289 -9.838 -2.670 1.00 0.00 C ATOM 49 C SER A 4 -21.309 -8.795 -1.544 1.00 0.00 C ATOM 50 O SER A 4 -20.302 -8.606 -0.857 1.00 0.00 O ATOM 51 CB SER A 4 -21.690 -11.213 -2.128 1.00 0.00 C ATOM 52 OG SER A 4 -21.538 -12.215 -3.119 1.00 0.00 O ATOM 0 H SER A 4 -19.297 -10.469 -2.700 1.00 0.00 H new ATOM 0 HA SER A 4 -22.002 -9.538 -3.438 1.00 0.00 H new ATOM 0 HB2 SER A 4 -21.077 -11.459 -1.261 1.00 0.00 H new ATOM 0 HB3 SER A 4 -22.726 -11.186 -1.789 1.00 0.00 H new ATOM 0 HG SER A 4 -21.799 -13.084 -2.748 1.00 0.00 H new ATOM 58 N PRO A 5 -22.454 -8.112 -1.336 1.00 0.00 N ATOM 59 CA PRO A 5 -22.585 -7.052 -0.319 1.00 0.00 C ATOM 60 C PRO A 5 -22.064 -7.471 1.063 1.00 0.00 C ATOM 61 O PRO A 5 -21.350 -6.717 1.727 1.00 0.00 O ATOM 62 CB PRO A 5 -24.097 -6.798 -0.273 1.00 0.00 C ATOM 63 CG PRO A 5 -24.575 -7.154 -1.640 1.00 0.00 C ATOM 64 CD PRO A 5 -23.715 -8.309 -2.086 1.00 0.00 C ATOM 0 HA PRO A 5 -21.992 -6.174 -0.575 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -24.580 -7.410 0.489 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -24.318 -5.758 -0.033 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -25.629 -7.433 -1.626 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -24.478 -6.308 -2.321 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -24.177 -9.268 -1.850 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -23.548 -8.292 -3.163 1.00 0.00 H new ATOM 72 N GLU A 6 -22.411 -8.684 1.484 1.00 0.00 N ATOM 73 CA GLU A 6 -22.028 -9.175 2.809 1.00 0.00 C ATOM 74 C GLU A 6 -20.522 -9.456 2.883 1.00 0.00 C ATOM 75 O GLU A 6 -19.925 -9.418 3.962 1.00 0.00 O ATOM 76 CB GLU A 6 -22.857 -10.415 3.168 1.00 0.00 C ATOM 77 CG GLU A 6 -24.347 -10.102 3.322 1.00 0.00 C ATOM 78 CD GLU A 6 -25.230 -11.340 3.358 1.00 0.00 C ATOM 79 OE1 GLU A 6 -25.462 -11.889 4.459 1.00 0.00 O ATOM 80 OE2 GLU A 6 -25.711 -11.758 2.281 1.00 0.00 O ATOM 0 H GLU A 6 -22.955 -9.345 0.930 1.00 0.00 H new ATOM 0 HA GLU A 6 -22.241 -8.400 3.545 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -22.726 -11.171 2.394 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -22.481 -10.842 4.098 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -24.497 -9.533 4.239 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -24.663 -9.465 2.496 1.00 0.00 H new ATOM 87 N GLU A 7 -19.905 -9.714 1.734 1.00 0.00 N ATOM 88 CA GLU A 7 -18.452 -9.850 1.667 1.00 0.00 C ATOM 89 C GLU A 7 -17.812 -8.469 1.812 1.00 0.00 C ATOM 90 O GLU A 7 -16.754 -8.322 2.421 1.00 0.00 O ATOM 91 CB GLU A 7 -18.027 -10.511 0.343 1.00 0.00 C ATOM 92 CG GLU A 7 -16.518 -10.645 0.152 1.00 0.00 C ATOM 93 CD GLU A 7 -15.861 -11.548 1.185 1.00 0.00 C ATOM 94 OE1 GLU A 7 -16.346 -12.682 1.389 1.00 0.00 O ATOM 95 OE2 GLU A 7 -14.836 -11.142 1.770 1.00 0.00 O ATOM 0 H GLU A 7 -20.384 -9.833 0.841 1.00 0.00 H new ATOM 0 HA GLU A 7 -18.113 -10.491 2.480 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -18.476 -11.503 0.287 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -18.434 -9.930 -0.484 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -16.318 -11.038 -0.845 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -16.063 -9.656 0.202 1.00 0.00 H new ATOM 102 N ALA A 8 -18.488 -7.453 1.278 1.00 0.00 N ATOM 103 CA ALA A 8 -17.999 -6.079 1.345 1.00 0.00 C ATOM 104 C ALA A 8 -17.996 -5.566 2.788 1.00 0.00 C ATOM 105 O ALA A 8 -17.043 -4.912 3.218 1.00 0.00 O ATOM 106 CB ALA A 8 -18.831 -5.173 0.445 1.00 0.00 C ATOM 0 H ALA A 8 -19.379 -7.557 0.793 1.00 0.00 H new ATOM 0 HA ALA A 8 -16.970 -6.065 0.987 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -18.453 -4.152 0.507 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -18.764 -5.523 -0.585 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -19.872 -5.195 0.769 1.00 0.00 H new ATOM 112 N VAL A 9 -19.057 -5.867 3.543 1.00 0.00 N ATOM 113 CA VAL A 9 -19.098 -5.501 4.962 1.00 0.00 C ATOM 114 C VAL A 9 -18.074 -6.318 5.747 1.00 0.00 C ATOM 115 O VAL A 9 -17.595 -5.892 6.798 1.00 0.00 O ATOM 116 CB VAL A 9 -20.504 -5.675 5.599 1.00 0.00 C ATOM 117 CG1 VAL A 9 -21.541 -4.833 4.861 1.00 0.00 C ATOM 118 CG2 VAL A 9 -20.924 -7.142 5.640 1.00 0.00 C ATOM 0 H VAL A 9 -19.886 -6.355 3.203 1.00 0.00 H new ATOM 0 HA VAL A 9 -18.853 -4.440 5.014 1.00 0.00 H new ATOM 0 HB VAL A 9 -20.445 -5.322 6.629 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -22.518 -4.971 5.324 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -21.260 -3.781 4.913 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -21.587 -5.145 3.818 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -21.912 -7.225 6.092 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -20.954 -7.540 4.626 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -20.206 -7.710 6.232 1.00 0.00 H new ATOM 128 N LYS A 10 -17.742 -7.498 5.221 1.00 0.00 N ATOM 129 CA LYS A 10 -16.685 -8.326 5.794 1.00 0.00 C ATOM 130 C LYS A 10 -15.319 -7.668 5.562 1.00 0.00 C ATOM 131 O LYS A 10 -14.379 -7.862 6.337 1.00 0.00 O ATOM 132 CB LYS A 10 -16.737 -9.741 5.190 1.00 0.00 C ATOM 133 CG LYS A 10 -15.684 -10.705 5.734 1.00 0.00 C ATOM 134 CD LYS A 10 -15.765 -10.876 7.250 1.00 0.00 C ATOM 135 CE LYS A 10 -17.108 -11.438 7.705 1.00 0.00 C ATOM 136 NZ LYS A 10 -17.169 -11.579 9.184 1.00 0.00 N ATOM 0 H LYS A 10 -18.191 -7.900 4.398 1.00 0.00 H new ATOM 0 HA LYS A 10 -16.838 -8.414 6.870 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -17.725 -10.163 5.372 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -16.617 -9.665 4.109 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -15.806 -11.677 5.256 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -14.692 -10.341 5.466 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -14.966 -11.540 7.580 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -15.597 -9.912 7.730 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -17.911 -10.782 7.368 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -17.273 -12.409 7.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -17.160 -12.588 9.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -16.347 -11.107 9.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -18.043 -11.141 9.539 1.00 0.00 H new ATOM 150 N TRP A 11 -15.210 -6.884 4.490 1.00 0.00 N ATOM 151 CA TRP A 11 -14.019 -6.066 4.258 1.00 0.00 C ATOM 152 C TRP A 11 -14.005 -4.908 5.247 1.00 0.00 C ATOM 153 O TRP A 11 -12.952 -4.500 5.737 1.00 0.00 O ATOM 154 CB TRP A 11 -13.992 -5.504 2.828 1.00 0.00 C ATOM 155 CG TRP A 11 -14.028 -6.544 1.750 1.00 0.00 C ATOM 156 CD1 TRP A 11 -13.863 -7.890 1.892 1.00 0.00 C ATOM 157 CD2 TRP A 11 -14.232 -6.310 0.351 1.00 0.00 C ATOM 158 NE1 TRP A 11 -13.967 -8.507 0.673 1.00 0.00 N ATOM 159 CE2 TRP A 11 -14.184 -7.557 -0.290 1.00 0.00 C ATOM 160 CE3 TRP A 11 -14.451 -5.162 -0.417 1.00 0.00 C ATOM 161 CZ2 TRP A 11 -14.349 -7.692 -1.667 1.00 0.00 C ATOM 162 CZ3 TRP A 11 -14.613 -5.295 -1.782 1.00 0.00 C ATOM 163 CH2 TRP A 11 -14.560 -6.552 -2.396 1.00 0.00 C ATOM 0 H TRP A 11 -15.928 -6.798 3.771 1.00 0.00 H new ATOM 0 HA TRP A 11 -13.142 -6.698 4.395 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -14.843 -4.835 2.698 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -13.092 -4.902 2.705 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -13.678 -8.396 2.828 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -13.895 -9.511 0.509 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -14.493 -4.189 0.049 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -14.312 -8.661 -2.142 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -14.783 -4.416 -2.385 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -14.688 -6.624 -3.466 1.00 0.00 H new ATOM 174 N GLY A 12 -15.200 -4.409 5.550 1.00 0.00 N ATOM 175 CA GLY A 12 -15.353 -3.261 6.425 1.00 0.00 C ATOM 176 C GLY A 12 -14.992 -3.548 7.872 1.00 0.00 C ATOM 177 O GLY A 12 -15.039 -2.648 8.714 1.00 0.00 O ATOM 0 H GLY A 12 -16.079 -4.788 5.198 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -14.727 -2.448 6.057 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -16.385 -2.914 6.379 1.00 0.00 H new ATOM 181 N GLU A 13 -14.641 -4.796 8.172 1.00 0.00 N ATOM 182 CA GLU A 13 -14.208 -5.166 9.518 1.00 0.00 C ATOM 183 C GLU A 13 -12.747 -5.615 9.506 1.00 0.00 C ATOM 184 O GLU A 13 -12.212 -6.038 10.533 1.00 0.00 O ATOM 185 CB GLU A 13 -15.108 -6.273 10.087 1.00 0.00 C ATOM 186 CG GLU A 13 -15.076 -7.568 9.286 1.00 0.00 C ATOM 187 CD GLU A 13 -16.034 -8.619 9.818 1.00 0.00 C ATOM 188 OE1 GLU A 13 -17.224 -8.592 9.445 1.00 0.00 O ATOM 189 OE2 GLU A 13 -15.607 -9.495 10.596 1.00 0.00 O ATOM 0 H GLU A 13 -14.648 -5.567 7.504 1.00 0.00 H new ATOM 0 HA GLU A 13 -14.293 -4.290 10.161 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -14.804 -6.484 11.112 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -16.134 -5.908 10.128 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -15.323 -7.352 8.247 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -14.063 -7.970 9.296 1.00 0.00 H new ATOM 196 N SER A 14 -12.104 -5.511 8.342 1.00 0.00 N ATOM 197 CA SER A 14 -10.708 -5.903 8.199 1.00 0.00 C ATOM 198 C SER A 14 -10.085 -5.279 6.944 1.00 0.00 C ATOM 199 O SER A 14 -10.183 -5.829 5.845 1.00 0.00 O ATOM 200 CB SER A 14 -10.587 -7.439 8.182 1.00 0.00 C ATOM 201 OG SER A 14 -11.579 -8.033 7.355 1.00 0.00 O ATOM 0 H SER A 14 -12.531 -5.158 7.486 1.00 0.00 H new ATOM 0 HA SER A 14 -10.152 -5.526 9.058 1.00 0.00 H new ATOM 0 HB2 SER A 14 -9.597 -7.723 7.825 1.00 0.00 H new ATOM 0 HB3 SER A 14 -10.681 -7.823 9.198 1.00 0.00 H new ATOM 0 HG SER A 14 -11.473 -9.007 7.365 1.00 0.00 H new ATOM 207 N PHE A 15 -9.460 -4.112 7.123 1.00 0.00 N ATOM 208 CA PHE A 15 -8.774 -3.411 6.032 1.00 0.00 C ATOM 209 C PHE A 15 -7.693 -4.306 5.435 1.00 0.00 C ATOM 210 O PHE A 15 -7.486 -4.336 4.219 1.00 0.00 O ATOM 211 CB PHE A 15 -8.162 -2.100 6.553 1.00 0.00 C ATOM 212 CG PHE A 15 -7.541 -1.227 5.483 1.00 0.00 C ATOM 213 CD1 PHE A 15 -8.172 -1.040 4.259 1.00 0.00 C ATOM 214 CD2 PHE A 15 -6.339 -0.574 5.712 1.00 0.00 C ATOM 215 CE1 PHE A 15 -7.613 -0.227 3.291 1.00 0.00 C ATOM 216 CE2 PHE A 15 -5.776 0.238 4.744 1.00 0.00 C ATOM 217 CZ PHE A 15 -6.415 0.413 3.534 1.00 0.00 C ATOM 0 H PHE A 15 -9.415 -3.629 8.020 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.496 -3.171 5.251 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -8.938 -1.530 7.064 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -7.401 -2.339 7.296 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -9.111 -1.536 4.062 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -5.836 -0.701 6.659 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -8.114 -0.093 2.344 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -4.836 0.735 4.935 1.00 0.00 H new ATOM 0 HZ PHE A 15 -5.979 1.050 2.779 1.00 0.00 H new ATOM 227 N ASP A 16 -7.017 -5.044 6.312 1.00 0.00 N ATOM 228 CA ASP A 16 -6.041 -6.056 5.908 1.00 0.00 C ATOM 229 C ASP A 16 -6.632 -6.966 4.832 1.00 0.00 C ATOM 230 O ASP A 16 -5.977 -7.292 3.839 1.00 0.00 O ATOM 231 CB ASP A 16 -5.630 -6.885 7.137 1.00 0.00 C ATOM 232 CG ASP A 16 -4.717 -8.057 6.801 1.00 0.00 C ATOM 233 OD1 ASP A 16 -5.235 -9.148 6.481 1.00 0.00 O ATOM 234 OD2 ASP A 16 -3.479 -7.905 6.888 1.00 0.00 O ATOM 0 H ASP A 16 -7.129 -4.958 7.322 1.00 0.00 H new ATOM 0 HA ASP A 16 -5.162 -5.562 5.494 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -5.126 -6.235 7.852 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -6.527 -7.262 7.627 1.00 0.00 H new ATOM 239 N LYS A 17 -7.893 -7.343 5.026 1.00 0.00 N ATOM 240 CA LYS A 17 -8.577 -8.236 4.101 1.00 0.00 C ATOM 241 C LYS A 17 -8.994 -7.501 2.827 1.00 0.00 C ATOM 242 O LYS A 17 -9.110 -8.112 1.761 1.00 0.00 O ATOM 243 CB LYS A 17 -9.803 -8.875 4.764 1.00 0.00 C ATOM 244 CG LYS A 17 -10.532 -9.834 3.837 1.00 0.00 C ATOM 245 CD LYS A 17 -11.732 -10.504 4.492 1.00 0.00 C ATOM 246 CE LYS A 17 -12.375 -11.483 3.522 1.00 0.00 C ATOM 247 NZ LYS A 17 -13.577 -12.146 4.077 1.00 0.00 N ATOM 0 H LYS A 17 -8.461 -7.042 5.818 1.00 0.00 H new ATOM 0 HA LYS A 17 -7.875 -9.024 3.828 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.490 -9.409 5.661 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -10.490 -8.091 5.083 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.865 -9.292 2.952 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -9.836 -10.601 3.498 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.418 -11.027 5.395 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -12.459 -9.750 4.796 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.648 -10.954 2.609 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -11.644 -12.242 3.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.566 -13.154 3.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -13.580 -12.050 5.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -14.431 -11.700 3.686 1.00 0.00 H new ATOM 261 N LEU A 18 -9.216 -6.193 2.936 1.00 0.00 N ATOM 262 CA LEU A 18 -9.599 -5.383 1.779 1.00 0.00 C ATOM 263 C LEU A 18 -8.522 -5.470 0.699 1.00 0.00 C ATOM 264 O LEU A 18 -8.828 -5.624 -0.485 1.00 0.00 O ATOM 265 CB LEU A 18 -9.836 -3.920 2.189 1.00 0.00 C ATOM 266 CG LEU A 18 -10.292 -2.978 1.057 1.00 0.00 C ATOM 267 CD1 LEU A 18 -11.598 -3.466 0.436 1.00 0.00 C ATOM 268 CD2 LEU A 18 -10.446 -1.548 1.571 1.00 0.00 C ATOM 0 H LEU A 18 -9.138 -5.672 3.809 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.533 -5.775 1.376 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -10.587 -3.900 2.979 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.913 -3.527 2.616 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.523 -2.984 0.284 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -11.899 -2.785 -0.360 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -11.454 -4.465 0.024 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -12.375 -3.497 1.200 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.768 -0.901 0.755 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -11.190 -1.526 2.367 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -9.490 -1.195 1.958 1.00 0.00 H new ATOM 280 N LEU A 19 -7.259 -5.387 1.118 1.00 0.00 N ATOM 281 CA LEU A 19 -6.133 -5.531 0.194 1.00 0.00 C ATOM 282 C LEU A 19 -5.942 -7.000 -0.188 1.00 0.00 C ATOM 283 O LEU A 19 -5.513 -7.312 -1.298 1.00 0.00 O ATOM 284 CB LEU A 19 -4.831 -4.971 0.798 1.00 0.00 C ATOM 285 CG LEU A 19 -4.763 -3.438 0.960 1.00 0.00 C ATOM 286 CD1 LEU A 19 -5.099 -2.732 -0.353 1.00 0.00 C ATOM 287 CD2 LEU A 19 -5.678 -2.959 2.083 1.00 0.00 C ATOM 0 H LEU A 19 -6.990 -5.221 2.088 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.365 -4.954 -0.701 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.683 -5.426 1.777 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.998 -5.287 0.170 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.739 -3.180 1.230 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.044 -1.653 -0.210 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.387 -3.034 -1.121 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.107 -3.005 -0.666 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.608 -1.875 2.172 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.707 -3.239 1.858 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.374 -3.421 3.022 1.00 0.00 H new ATOM 299 N SER A 20 -6.261 -7.895 0.747 1.00 0.00 N ATOM 300 CA SER A 20 -6.169 -9.334 0.510 1.00 0.00 C ATOM 301 C SER A 20 -7.111 -9.752 -0.626 1.00 0.00 C ATOM 302 O SER A 20 -6.795 -10.648 -1.413 1.00 0.00 O ATOM 303 CB SER A 20 -6.502 -10.100 1.800 1.00 0.00 C ATOM 304 OG SER A 20 -6.404 -11.507 1.625 1.00 0.00 O ATOM 0 H SER A 20 -6.587 -7.646 1.681 1.00 0.00 H new ATOM 0 HA SER A 20 -5.149 -9.578 0.212 1.00 0.00 H new ATOM 0 HB2 SER A 20 -5.824 -9.785 2.593 1.00 0.00 H new ATOM 0 HB3 SER A 20 -7.511 -9.844 2.123 1.00 0.00 H new ATOM 0 HG SER A 20 -6.622 -11.957 2.468 1.00 0.00 H new ATOM 310 N HIS A 21 -8.265 -9.094 -0.703 1.00 0.00 N ATOM 311 CA HIS A 21 -9.231 -9.345 -1.769 1.00 0.00 C ATOM 312 C HIS A 21 -8.805 -8.600 -3.032 1.00 0.00 C ATOM 313 O HIS A 21 -8.782 -7.373 -3.045 1.00 0.00 O ATOM 314 CB HIS A 21 -10.644 -8.889 -1.345 1.00 0.00 C ATOM 315 CG HIS A 21 -11.607 -10.008 -1.057 1.00 0.00 C ATOM 316 ND1 HIS A 21 -12.462 -10.526 -2.008 1.00 0.00 N ATOM 317 CD2 HIS A 21 -11.879 -10.682 0.087 1.00 0.00 C ATOM 318 CE1 HIS A 21 -13.216 -11.459 -1.460 1.00 0.00 C ATOM 319 NE2 HIS A 21 -12.882 -11.574 -0.191 1.00 0.00 N ATOM 0 H HIS A 21 -8.555 -8.379 -0.036 1.00 0.00 H new ATOM 0 HA HIS A 21 -9.259 -10.416 -1.968 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -10.558 -8.265 -0.456 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -11.061 -8.264 -2.134 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -11.395 -10.542 1.042 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -13.979 -12.032 -1.966 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -13.301 -12.221 0.476 1.00 0.00 H new ATOM 328 N ARG A 22 -8.472 -9.344 -4.084 1.00 0.00 N ATOM 329 CA ARG A 22 -8.105 -8.757 -5.377 1.00 0.00 C ATOM 330 C ARG A 22 -9.153 -7.733 -5.820 1.00 0.00 C ATOM 331 O ARG A 22 -8.823 -6.634 -6.270 1.00 0.00 O ATOM 332 CB ARG A 22 -7.942 -9.881 -6.427 1.00 0.00 C ATOM 333 CG ARG A 22 -7.788 -9.404 -7.877 1.00 0.00 C ATOM 334 CD ARG A 22 -9.134 -9.275 -8.595 1.00 0.00 C ATOM 335 NE ARG A 22 -8.985 -8.694 -9.929 1.00 0.00 N ATOM 336 CZ ARG A 22 -9.831 -7.811 -10.464 1.00 0.00 C ATOM 337 NH1 ARG A 22 -10.978 -7.518 -9.859 1.00 0.00 N ATOM 338 NH2 ARG A 22 -9.555 -7.264 -11.638 1.00 0.00 N ATOM 0 H ARG A 22 -8.448 -10.364 -4.069 1.00 0.00 H new ATOM 0 HA ARG A 22 -7.155 -8.232 -5.278 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -7.069 -10.478 -6.163 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -8.809 -10.539 -6.368 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -7.280 -8.440 -7.887 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -7.154 -10.104 -8.422 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -9.598 -10.258 -8.676 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -9.805 -8.654 -8.001 1.00 0.00 H new ATOM 0 HE ARG A 22 -8.182 -8.983 -10.487 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -11.219 -7.970 -8.977 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -11.617 -6.842 -10.277 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -8.698 -7.518 -12.130 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -10.199 -6.589 -12.050 1.00 0.00 H new ATOM 352 N ASP A 23 -10.420 -8.103 -5.667 1.00 0.00 N ATOM 353 CA ASP A 23 -11.534 -7.248 -6.073 1.00 0.00 C ATOM 354 C ASP A 23 -11.684 -6.066 -5.123 1.00 0.00 C ATOM 355 O ASP A 23 -12.158 -4.996 -5.516 1.00 0.00 O ATOM 356 CB ASP A 23 -12.832 -8.062 -6.124 1.00 0.00 C ATOM 357 CG ASP A 23 -12.746 -9.201 -7.125 1.00 0.00 C ATOM 358 OD1 ASP A 23 -12.846 -8.932 -8.340 1.00 0.00 O ATOM 359 OD2 ASP A 23 -12.560 -10.361 -6.699 1.00 0.00 O ATOM 0 H ASP A 23 -10.704 -8.995 -5.262 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.324 -6.858 -7.069 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -13.048 -8.464 -5.134 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -13.662 -7.407 -6.390 1.00 0.00 H new ATOM 364 N GLY A 24 -11.272 -6.269 -3.874 1.00 0.00 N ATOM 365 CA GLY A 24 -11.304 -5.202 -2.891 1.00 0.00 C ATOM 366 C GLY A 24 -10.252 -4.158 -3.188 1.00 0.00 C ATOM 367 O GLY A 24 -10.515 -2.955 -3.151 1.00 0.00 O ATOM 0 H GLY A 24 -10.915 -7.159 -3.525 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -12.290 -4.738 -2.885 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.140 -5.615 -1.896 1.00 0.00 H new ATOM 371 N LEU A 25 -9.057 -4.642 -3.503 1.00 0.00 N ATOM 372 CA LEU A 25 -7.934 -3.794 -3.870 1.00 0.00 C ATOM 373 C LEU A 25 -8.248 -3.013 -5.148 1.00 0.00 C ATOM 374 O LEU A 25 -7.937 -1.824 -5.246 1.00 0.00 O ATOM 375 CB LEU A 25 -6.669 -4.665 -4.021 1.00 0.00 C ATOM 376 CG LEU A 25 -5.412 -3.971 -4.590 1.00 0.00 C ATOM 377 CD1 LEU A 25 -4.141 -4.587 -4.005 1.00 0.00 C ATOM 378 CD2 LEU A 25 -5.385 -4.072 -6.117 1.00 0.00 C ATOM 0 H LEU A 25 -8.840 -5.639 -3.511 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.752 -3.060 -3.085 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.418 -5.073 -3.042 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.912 -5.510 -4.666 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.452 -2.919 -4.307 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.268 -4.083 -4.420 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.146 -4.471 -2.921 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.101 -5.647 -4.256 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.492 -3.577 -6.499 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.373 -5.121 -6.412 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.271 -3.590 -6.529 1.00 0.00 H new ATOM 390 N GLU A 26 -8.875 -3.685 -6.118 1.00 0.00 N ATOM 391 CA GLU A 26 -9.278 -3.035 -7.365 1.00 0.00 C ATOM 392 C GLU A 26 -10.223 -1.871 -7.072 1.00 0.00 C ATOM 393 O GLU A 26 -10.034 -0.762 -7.573 1.00 0.00 O ATOM 394 CB GLU A 26 -9.949 -4.038 -8.319 1.00 0.00 C ATOM 395 CG GLU A 26 -10.399 -3.419 -9.645 1.00 0.00 C ATOM 396 CD GLU A 26 -11.113 -4.406 -10.560 1.00 0.00 C ATOM 397 OE1 GLU A 26 -12.206 -4.879 -10.191 1.00 0.00 O ATOM 398 OE2 GLU A 26 -10.587 -4.722 -11.651 1.00 0.00 O ATOM 0 H GLU A 26 -9.113 -4.675 -6.063 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.382 -2.651 -7.853 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.253 -4.851 -8.525 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -10.814 -4.477 -7.821 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -11.063 -2.580 -9.439 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -9.529 -3.017 -10.164 1.00 0.00 H new ATOM 405 N ALA A 27 -11.226 -2.121 -6.238 1.00 0.00 N ATOM 406 CA ALA A 27 -12.187 -1.087 -5.866 1.00 0.00 C ATOM 407 C ALA A 27 -11.497 0.047 -5.106 1.00 0.00 C ATOM 408 O ALA A 27 -11.777 1.228 -5.335 1.00 0.00 O ATOM 409 CB ALA A 27 -13.310 -1.688 -5.026 1.00 0.00 C ATOM 0 H ALA A 27 -11.396 -3.030 -5.806 1.00 0.00 H new ATOM 0 HA ALA A 27 -12.617 -0.672 -6.778 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -14.020 -0.907 -4.755 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -13.822 -2.460 -5.601 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -12.892 -2.128 -4.121 1.00 0.00 H new ATOM 415 N PHE A 28 -10.580 -0.325 -4.218 1.00 0.00 N ATOM 416 CA PHE A 28 -9.880 0.638 -3.374 1.00 0.00 C ATOM 417 C PHE A 28 -9.014 1.578 -4.214 1.00 0.00 C ATOM 418 O PHE A 28 -9.027 2.794 -4.005 1.00 0.00 O ATOM 419 CB PHE A 28 -9.024 -0.091 -2.327 1.00 0.00 C ATOM 420 CG PHE A 28 -8.370 0.831 -1.326 1.00 0.00 C ATOM 421 CD1 PHE A 28 -9.126 1.443 -0.333 1.00 0.00 C ATOM 422 CD2 PHE A 28 -7.008 1.088 -1.378 1.00 0.00 C ATOM 423 CE1 PHE A 28 -8.534 2.290 0.584 1.00 0.00 C ATOM 424 CE2 PHE A 28 -6.413 1.935 -0.462 1.00 0.00 C ATOM 425 CZ PHE A 28 -7.177 2.535 0.520 1.00 0.00 C ATOM 0 H PHE A 28 -10.303 -1.294 -4.064 1.00 0.00 H new ATOM 0 HA PHE A 28 -10.626 1.241 -2.857 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -9.650 -0.806 -1.793 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -8.251 -0.664 -2.839 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -10.188 1.254 -0.278 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -6.405 0.621 -2.143 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -9.132 2.760 1.350 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -5.352 2.128 -0.514 1.00 0.00 H new ATOM 0 HZ PHE A 28 -6.713 3.196 1.237 1.00 0.00 H new ATOM 435 N THR A 29 -8.268 1.021 -5.168 1.00 0.00 N ATOM 436 CA THR A 29 -7.401 1.835 -6.012 1.00 0.00 C ATOM 437 C THR A 29 -8.233 2.759 -6.904 1.00 0.00 C ATOM 438 O THR A 29 -7.905 3.935 -7.054 1.00 0.00 O ATOM 439 CB THR A 29 -6.431 0.987 -6.879 1.00 0.00 C ATOM 440 OG1 THR A 29 -5.608 1.854 -7.667 1.00 0.00 O ATOM 441 CG2 THR A 29 -7.174 0.030 -7.802 1.00 0.00 C ATOM 0 H THR A 29 -8.248 0.022 -5.372 1.00 0.00 H new ATOM 0 HA THR A 29 -6.787 2.434 -5.339 1.00 0.00 H new ATOM 0 HB THR A 29 -5.820 0.393 -6.200 1.00 0.00 H new ATOM 0 HG1 THR A 29 -4.676 1.556 -7.616 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.455 -0.542 -8.389 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.781 -0.652 -7.207 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.819 0.598 -8.472 1.00 0.00 H new ATOM 449 N ARG A 30 -9.331 2.236 -7.463 1.00 0.00 N ATOM 450 CA ARG A 30 -10.219 3.036 -8.312 1.00 0.00 C ATOM 451 C ARG A 30 -10.665 4.297 -7.576 1.00 0.00 C ATOM 452 O ARG A 30 -10.813 5.365 -8.177 1.00 0.00 O ATOM 453 CB ARG A 30 -11.445 2.213 -8.741 1.00 0.00 C ATOM 454 CG ARG A 30 -11.118 1.068 -9.696 1.00 0.00 C ATOM 455 CD ARG A 30 -10.569 1.572 -11.026 1.00 0.00 C ATOM 456 NE ARG A 30 -10.219 0.467 -11.921 1.00 0.00 N ATOM 457 CZ ARG A 30 -10.624 0.369 -13.189 1.00 0.00 C ATOM 458 NH1 ARG A 30 -11.349 1.334 -13.744 1.00 0.00 N ATOM 459 NH2 ARG A 30 -10.278 -0.687 -13.912 1.00 0.00 N ATOM 0 H ARG A 30 -9.624 1.266 -7.343 1.00 0.00 H new ATOM 0 HA ARG A 30 -9.667 3.327 -9.205 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -11.926 1.805 -7.852 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -12.167 2.876 -9.218 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -10.389 0.405 -9.231 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -12.017 0.478 -9.875 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -11.310 2.210 -11.508 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -9.688 2.188 -10.846 1.00 0.00 H new ATOM 0 HE ARG A 30 -9.627 -0.277 -11.551 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -11.601 2.159 -13.200 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -11.654 1.250 -14.714 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -9.704 -1.422 -13.499 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -10.586 -0.765 -14.881 1.00 0.00 H new ATOM 473 N PHE A 31 -10.869 4.157 -6.269 1.00 0.00 N ATOM 474 CA PHE A 31 -11.205 5.285 -5.411 1.00 0.00 C ATOM 475 C PHE A 31 -9.998 6.209 -5.242 1.00 0.00 C ATOM 476 O PHE A 31 -10.076 7.403 -5.519 1.00 0.00 O ATOM 477 CB PHE A 31 -11.694 4.780 -4.041 1.00 0.00 C ATOM 478 CG PHE A 31 -11.873 5.870 -3.008 1.00 0.00 C ATOM 479 CD1 PHE A 31 -12.904 6.793 -3.122 1.00 0.00 C ATOM 480 CD2 PHE A 31 -11.006 5.969 -1.927 1.00 0.00 C ATOM 481 CE1 PHE A 31 -13.065 7.791 -2.179 1.00 0.00 C ATOM 482 CE2 PHE A 31 -11.165 6.966 -0.982 1.00 0.00 C ATOM 483 CZ PHE A 31 -12.195 7.877 -1.109 1.00 0.00 C ATOM 0 H PHE A 31 -10.806 3.264 -5.779 1.00 0.00 H new ATOM 0 HA PHE A 31 -12.007 5.854 -5.881 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -12.644 4.262 -4.175 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -10.982 4.047 -3.661 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -13.587 6.731 -3.956 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -10.199 5.259 -1.823 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -13.871 8.503 -2.279 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -10.485 7.032 -0.146 1.00 0.00 H new ATOM 0 HZ PHE A 31 -12.321 8.657 -0.372 1.00 0.00 H new ATOM 493 N LEU A 32 -8.873 5.638 -4.821 1.00 0.00 N ATOM 494 CA LEU A 32 -7.680 6.416 -4.474 1.00 0.00 C ATOM 495 C LEU A 32 -7.106 7.161 -5.692 1.00 0.00 C ATOM 496 O LEU A 32 -6.428 8.184 -5.544 1.00 0.00 O ATOM 497 CB LEU A 32 -6.616 5.496 -3.851 1.00 0.00 C ATOM 498 CG LEU A 32 -5.403 6.210 -3.228 1.00 0.00 C ATOM 499 CD1 LEU A 32 -5.843 7.186 -2.137 1.00 0.00 C ATOM 500 CD2 LEU A 32 -4.405 5.194 -2.674 1.00 0.00 C ATOM 0 H LEU A 32 -8.759 4.630 -4.710 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.974 7.171 -3.744 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.092 4.888 -3.081 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.257 4.812 -4.620 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.909 6.783 -4.013 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.967 7.677 -1.713 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.507 7.936 -2.566 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.369 6.642 -1.352 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.555 5.719 -2.238 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.889 4.589 -1.908 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.058 4.548 -3.480 1.00 0.00 H new ATOM 512 N LYS A 33 -7.392 6.658 -6.892 1.00 0.00 N ATOM 513 CA LYS A 33 -6.912 7.281 -8.131 1.00 0.00 C ATOM 514 C LYS A 33 -7.524 8.673 -8.329 1.00 0.00 C ATOM 515 O LYS A 33 -7.052 9.450 -9.163 1.00 0.00 O ATOM 516 CB LYS A 33 -7.225 6.394 -9.349 1.00 0.00 C ATOM 517 CG LYS A 33 -6.429 5.090 -9.398 1.00 0.00 C ATOM 518 CD LYS A 33 -6.828 4.236 -10.599 1.00 0.00 C ATOM 519 CE LYS A 33 -6.117 2.886 -10.606 1.00 0.00 C ATOM 520 NZ LYS A 33 -4.636 3.024 -10.685 1.00 0.00 N ATOM 0 H LYS A 33 -7.955 5.819 -7.036 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.831 7.389 -8.042 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -8.289 6.157 -9.347 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -7.026 6.962 -10.258 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.364 5.315 -9.448 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -6.594 4.527 -8.479 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.906 4.077 -10.588 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.594 4.773 -11.518 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.380 2.335 -9.703 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.470 2.297 -11.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.301 2.655 -11.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.376 4.027 -10.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -4.195 2.486 -9.912 1.00 0.00 H new ATOM 534 N THR A 34 -8.570 8.986 -7.564 1.00 0.00 N ATOM 535 CA THR A 34 -9.225 10.290 -7.654 1.00 0.00 C ATOM 536 C THR A 34 -8.257 11.410 -7.263 1.00 0.00 C ATOM 537 O THR A 34 -8.292 12.505 -7.833 1.00 0.00 O ATOM 538 CB THR A 34 -10.490 10.359 -6.754 1.00 0.00 C ATOM 539 OG1 THR A 34 -11.229 11.556 -7.033 1.00 0.00 O ATOM 540 CG2 THR A 34 -10.132 10.330 -5.269 1.00 0.00 C ATOM 0 H THR A 34 -8.981 8.355 -6.876 1.00 0.00 H new ATOM 0 HA THR A 34 -9.533 10.424 -8.691 1.00 0.00 H new ATOM 0 HB THR A 34 -11.096 9.482 -6.980 1.00 0.00 H new ATOM 0 HG1 THR A 34 -12.025 11.590 -6.462 1.00 0.00 H new ATOM 0 HG21 THR A 34 -11.044 10.380 -4.674 1.00 0.00 H new ATOM 0 HG22 THR A 34 -9.600 9.406 -5.041 1.00 0.00 H new ATOM 0 HG23 THR A 34 -9.496 11.183 -5.031 1.00 0.00 H new ATOM 548 N GLU A 35 -7.378 11.113 -6.307 1.00 0.00 N ATOM 549 CA GLU A 35 -6.448 12.102 -5.767 1.00 0.00 C ATOM 550 C GLU A 35 -5.000 11.723 -6.076 1.00 0.00 C ATOM 551 O GLU A 35 -4.067 12.349 -5.575 1.00 0.00 O ATOM 552 CB GLU A 35 -6.674 12.245 -4.257 1.00 0.00 C ATOM 553 CG GLU A 35 -6.685 10.915 -3.506 1.00 0.00 C ATOM 554 CD GLU A 35 -7.374 11.018 -2.156 1.00 0.00 C ATOM 555 OE1 GLU A 35 -8.607 11.208 -2.135 1.00 0.00 O ATOM 556 OE2 GLU A 35 -6.694 10.910 -1.112 1.00 0.00 O ATOM 0 H GLU A 35 -7.291 10.187 -5.888 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.637 13.064 -6.244 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.892 12.880 -3.841 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.622 12.755 -4.088 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.190 10.163 -4.112 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.660 10.573 -3.363 1.00 0.00 H new ATOM 563 N PHE A 36 -4.831 10.688 -6.899 1.00 0.00 N ATOM 564 CA PHE A 36 -3.515 10.280 -7.406 1.00 0.00 C ATOM 565 C PHE A 36 -2.541 9.911 -6.282 1.00 0.00 C ATOM 566 O PHE A 36 -1.338 9.804 -6.510 1.00 0.00 O ATOM 567 CB PHE A 36 -2.910 11.390 -8.284 1.00 0.00 C ATOM 568 CG PHE A 36 -3.723 11.698 -9.518 1.00 0.00 C ATOM 569 CD1 PHE A 36 -4.786 12.589 -9.462 1.00 0.00 C ATOM 570 CD2 PHE A 36 -3.425 11.095 -10.731 1.00 0.00 C ATOM 571 CE1 PHE A 36 -5.531 12.872 -10.589 1.00 0.00 C ATOM 572 CE2 PHE A 36 -4.167 11.375 -11.861 1.00 0.00 C ATOM 573 CZ PHE A 36 -5.222 12.264 -11.789 1.00 0.00 C ATOM 0 H PHE A 36 -5.600 10.108 -7.234 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.671 9.384 -8.007 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.811 12.298 -7.689 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.905 11.095 -8.586 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -5.033 13.067 -8.525 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.602 10.398 -10.792 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -6.355 13.568 -10.532 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.923 10.900 -12.800 1.00 0.00 H new ATOM 0 HZ PHE A 36 -5.805 12.483 -12.671 1.00 0.00 H new ATOM 583 N SER A 37 -3.066 9.662 -5.083 1.00 0.00 N ATOM 584 CA SER A 37 -2.231 9.318 -3.932 1.00 0.00 C ATOM 585 C SER A 37 -1.982 7.807 -3.910 1.00 0.00 C ATOM 586 O SER A 37 -1.733 7.207 -2.860 1.00 0.00 O ATOM 587 CB SER A 37 -2.907 9.786 -2.632 1.00 0.00 C ATOM 588 OG SER A 37 -1.999 9.770 -1.540 1.00 0.00 O ATOM 0 H SER A 37 -4.066 9.692 -4.883 1.00 0.00 H new ATOM 0 HA SER A 37 -1.270 9.825 -4.015 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.299 10.794 -2.767 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.757 9.141 -2.410 1.00 0.00 H new ATOM 0 HG SER A 37 -1.112 9.497 -1.856 1.00 0.00 H new ATOM 594 N GLU A 38 -2.017 7.208 -5.097 1.00 0.00 N ATOM 595 CA GLU A 38 -1.862 5.770 -5.260 1.00 0.00 C ATOM 596 C GLU A 38 -0.418 5.343 -5.000 1.00 0.00 C ATOM 597 O GLU A 38 -0.141 4.158 -4.819 1.00 0.00 O ATOM 598 CB GLU A 38 -2.301 5.361 -6.674 1.00 0.00 C ATOM 599 CG GLU A 38 -2.183 3.868 -6.959 1.00 0.00 C ATOM 600 CD GLU A 38 -2.623 3.490 -8.365 1.00 0.00 C ATOM 601 OE1 GLU A 38 -2.491 4.323 -9.289 1.00 0.00 O ATOM 602 OE2 GLU A 38 -3.100 2.355 -8.560 1.00 0.00 O ATOM 0 H GLU A 38 -2.154 7.710 -5.974 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.494 5.264 -4.530 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.336 5.667 -6.823 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.699 5.907 -7.401 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.148 3.557 -6.813 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.786 3.318 -6.236 1.00 0.00 H new ATOM 609 N GLU A 39 0.498 6.316 -4.955 1.00 0.00 N ATOM 610 CA GLU A 39 1.919 6.025 -4.748 1.00 0.00 C ATOM 611 C GLU A 39 2.151 5.219 -3.468 1.00 0.00 C ATOM 612 O GLU A 39 3.124 4.474 -3.372 1.00 0.00 O ATOM 613 CB GLU A 39 2.774 7.312 -4.767 1.00 0.00 C ATOM 614 CG GLU A 39 2.099 8.566 -4.202 1.00 0.00 C ATOM 615 CD GLU A 39 1.779 8.495 -2.715 1.00 0.00 C ATOM 616 OE1 GLU A 39 2.626 8.025 -1.930 1.00 0.00 O ATOM 617 OE2 GLU A 39 0.673 8.933 -2.330 1.00 0.00 O ATOM 0 H GLU A 39 0.281 7.307 -5.059 1.00 0.00 H new ATOM 0 HA GLU A 39 2.244 5.406 -5.585 1.00 0.00 H new ATOM 0 HB2 GLU A 39 3.688 7.128 -4.202 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.071 7.514 -5.796 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.747 9.424 -4.381 1.00 0.00 H new ATOM 0 HG3 GLU A 39 1.175 8.745 -4.752 1.00 0.00 H new ATOM 624 N ASN A 40 1.248 5.361 -2.499 1.00 0.00 N ATOM 625 CA ASN A 40 1.292 4.544 -1.285 1.00 0.00 C ATOM 626 C ASN A 40 1.129 3.064 -1.645 1.00 0.00 C ATOM 627 O ASN A 40 1.927 2.204 -1.240 1.00 0.00 O ATOM 628 CB ASN A 40 0.189 4.968 -0.298 1.00 0.00 C ATOM 629 CG ASN A 40 0.382 6.374 0.243 1.00 0.00 C ATOM 630 OD1 ASN A 40 1.109 6.590 1.214 1.00 0.00 O ATOM 631 ND2 ASN A 40 -0.286 7.340 -0.367 1.00 0.00 N ATOM 0 H ASN A 40 0.480 6.031 -2.529 1.00 0.00 H new ATOM 0 HA ASN A 40 2.259 4.694 -0.805 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -0.779 4.906 -0.796 1.00 0.00 H new ATOM 0 HB3 ASN A 40 0.165 4.265 0.535 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -0.208 8.302 -0.036 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -0.879 7.123 -1.168 1.00 0.00 H new ATOM 638 N ILE A 41 0.097 2.784 -2.438 1.00 0.00 N ATOM 639 CA ILE A 41 -0.185 1.429 -2.891 1.00 0.00 C ATOM 640 C ILE A 41 0.963 0.921 -3.759 1.00 0.00 C ATOM 641 O ILE A 41 1.494 -0.167 -3.530 1.00 0.00 O ATOM 642 CB ILE A 41 -1.518 1.364 -3.686 1.00 0.00 C ATOM 643 CG1 ILE A 41 -2.698 1.787 -2.791 1.00 0.00 C ATOM 644 CG2 ILE A 41 -1.747 -0.038 -4.254 1.00 0.00 C ATOM 645 CD1 ILE A 41 -4.046 1.737 -3.484 1.00 0.00 C ATOM 0 H ILE A 41 -0.560 3.485 -2.781 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.285 0.793 -2.011 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.451 2.060 -4.523 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.727 1.139 -1.915 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.523 2.801 -2.432 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.687 -0.058 -4.806 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -0.927 -0.298 -4.923 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.791 -0.759 -3.437 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.825 2.049 -2.788 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.038 2.407 -4.344 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.245 0.719 -3.819 1.00 0.00 H new ATOM 657 N GLU A 42 1.357 1.737 -4.737 1.00 0.00 N ATOM 658 CA GLU A 42 2.471 1.409 -5.623 1.00 0.00 C ATOM 659 C GLU A 42 3.751 1.176 -4.822 1.00 0.00 C ATOM 660 O GLU A 42 4.601 0.376 -5.217 1.00 0.00 O ATOM 661 CB GLU A 42 2.691 2.530 -6.649 1.00 0.00 C ATOM 662 CG GLU A 42 1.562 2.665 -7.666 1.00 0.00 C ATOM 663 CD GLU A 42 1.740 3.874 -8.573 1.00 0.00 C ATOM 664 OE1 GLU A 42 1.286 4.979 -8.203 1.00 0.00 O ATOM 665 OE2 GLU A 42 2.351 3.732 -9.656 1.00 0.00 O ATOM 0 H GLU A 42 0.917 2.636 -4.935 1.00 0.00 H new ATOM 0 HA GLU A 42 2.221 0.490 -6.153 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.806 3.476 -6.120 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.625 2.346 -7.180 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.515 1.762 -8.274 1.00 0.00 H new ATOM 0 HG3 GLU A 42 0.611 2.746 -7.140 1.00 0.00 H new ATOM 672 N PHE A 43 3.872 1.869 -3.690 1.00 0.00 N ATOM 673 CA PHE A 43 5.041 1.734 -2.832 1.00 0.00 C ATOM 674 C PHE A 43 5.206 0.288 -2.378 1.00 0.00 C ATOM 675 O PHE A 43 6.196 -0.366 -2.724 1.00 0.00 O ATOM 676 CB PHE A 43 4.949 2.669 -1.618 1.00 0.00 C ATOM 677 CG PHE A 43 6.155 2.598 -0.711 1.00 0.00 C ATOM 678 CD1 PHE A 43 7.291 3.345 -0.985 1.00 0.00 C ATOM 679 CD2 PHE A 43 6.153 1.779 0.409 1.00 0.00 C ATOM 680 CE1 PHE A 43 8.398 3.277 -0.161 1.00 0.00 C ATOM 681 CE2 PHE A 43 7.255 1.708 1.235 1.00 0.00 C ATOM 682 CZ PHE A 43 8.379 2.457 0.950 1.00 0.00 C ATOM 0 H PHE A 43 3.173 2.529 -3.349 1.00 0.00 H new ATOM 0 HA PHE A 43 5.918 2.021 -3.413 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.827 3.694 -1.967 1.00 0.00 H new ATOM 0 HB3 PHE A 43 4.057 2.419 -1.044 1.00 0.00 H new ATOM 0 HD1 PHE A 43 7.311 3.988 -1.853 1.00 0.00 H new ATOM 0 HD2 PHE A 43 5.277 1.190 0.637 1.00 0.00 H new ATOM 0 HE1 PHE A 43 9.276 3.864 -0.385 1.00 0.00 H new ATOM 0 HE2 PHE A 43 7.239 1.067 2.104 1.00 0.00 H new ATOM 0 HZ PHE A 43 9.243 2.402 1.596 1.00 0.00 H new ATOM 692 N TRP A 44 4.235 -0.235 -1.621 1.00 0.00 N ATOM 693 CA TRP A 44 4.359 -1.611 -1.137 1.00 0.00 C ATOM 694 C TRP A 44 4.001 -2.637 -2.216 1.00 0.00 C ATOM 695 O TRP A 44 4.178 -3.841 -2.013 1.00 0.00 O ATOM 696 CB TRP A 44 3.610 -1.874 0.187 1.00 0.00 C ATOM 697 CG TRP A 44 2.235 -1.281 0.334 1.00 0.00 C ATOM 698 CD1 TRP A 44 1.887 -0.264 1.176 1.00 0.00 C ATOM 699 CD2 TRP A 44 1.026 -1.689 -0.322 1.00 0.00 C ATOM 700 NE1 TRP A 44 0.542 -0.016 1.092 1.00 0.00 N ATOM 701 CE2 TRP A 44 -0.009 -0.868 0.172 1.00 0.00 C ATOM 702 CE3 TRP A 44 0.715 -2.659 -1.278 1.00 0.00 C ATOM 703 CZ2 TRP A 44 -1.328 -0.993 -0.257 1.00 0.00 C ATOM 704 CZ3 TRP A 44 -0.595 -2.781 -1.703 1.00 0.00 C ATOM 705 CH2 TRP A 44 -1.602 -1.951 -1.194 1.00 0.00 C ATOM 0 H TRP A 44 3.385 0.253 -1.339 1.00 0.00 H new ATOM 0 HA TRP A 44 5.416 -1.742 -0.904 1.00 0.00 H new ATOM 0 HB2 TRP A 44 3.527 -2.953 0.319 1.00 0.00 H new ATOM 0 HB3 TRP A 44 4.227 -1.500 1.003 1.00 0.00 H new ATOM 0 HD1 TRP A 44 2.574 0.269 1.817 1.00 0.00 H new ATOM 0 HE1 TRP A 44 0.034 0.688 1.627 1.00 0.00 H new ATOM 0 HE3 TRP A 44 1.485 -3.302 -1.678 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -2.107 -0.356 0.136 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.846 -3.529 -2.440 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -2.615 -2.070 -1.549 1.00 0.00 H new ATOM 716 N ILE A 45 3.521 -2.168 -3.366 1.00 0.00 N ATOM 717 CA ILE A 45 3.428 -3.021 -4.554 1.00 0.00 C ATOM 718 C ILE A 45 4.839 -3.324 -5.060 1.00 0.00 C ATOM 719 O ILE A 45 5.181 -4.476 -5.348 1.00 0.00 O ATOM 720 CB ILE A 45 2.580 -2.364 -5.686 1.00 0.00 C ATOM 721 CG1 ILE A 45 1.076 -2.551 -5.410 1.00 0.00 C ATOM 722 CG2 ILE A 45 2.947 -2.919 -7.066 1.00 0.00 C ATOM 723 CD1 ILE A 45 0.180 -2.037 -6.522 1.00 0.00 C ATOM 0 H ILE A 45 3.193 -1.212 -3.503 1.00 0.00 H new ATOM 0 HA ILE A 45 2.921 -3.944 -4.272 1.00 0.00 H new ATOM 0 HB ILE A 45 2.807 -1.298 -5.691 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.874 -3.611 -5.254 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.820 -2.038 -4.483 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.334 -2.436 -7.827 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.000 -2.722 -7.269 1.00 0.00 H new ATOM 0 HG23 ILE A 45 2.769 -3.994 -7.085 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.864 -2.204 -6.255 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.352 -0.970 -6.664 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.407 -2.567 -7.447 1.00 0.00 H new ATOM 735 N ALA A 46 5.663 -2.279 -5.130 1.00 0.00 N ATOM 736 CA ALA A 46 7.057 -2.415 -5.537 1.00 0.00 C ATOM 737 C ALA A 46 7.825 -3.259 -4.524 1.00 0.00 C ATOM 738 O ALA A 46 8.751 -3.985 -4.881 1.00 0.00 O ATOM 739 CB ALA A 46 7.704 -1.042 -5.692 1.00 0.00 C ATOM 0 H ALA A 46 5.384 -1.323 -4.908 1.00 0.00 H new ATOM 0 HA ALA A 46 7.090 -2.920 -6.502 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.744 -1.162 -5.996 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.168 -0.471 -6.450 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.663 -0.511 -4.741 1.00 0.00 H new ATOM 745 N CYS A 47 7.421 -3.165 -3.258 1.00 0.00 N ATOM 746 CA CYS A 47 8.036 -3.949 -2.190 1.00 0.00 C ATOM 747 C CYS A 47 7.795 -5.445 -2.406 1.00 0.00 C ATOM 748 O CYS A 47 8.621 -6.278 -2.027 1.00 0.00 O ATOM 749 CB CYS A 47 7.489 -3.514 -0.826 1.00 0.00 C ATOM 750 SG CYS A 47 7.760 -1.765 -0.450 1.00 0.00 S ATOM 0 H CYS A 47 6.668 -2.551 -2.947 1.00 0.00 H new ATOM 0 HA CYS A 47 9.111 -3.769 -2.210 1.00 0.00 H new ATOM 0 HB2 CYS A 47 6.419 -3.721 -0.792 1.00 0.00 H new ATOM 0 HB3 CYS A 47 7.956 -4.119 -0.049 1.00 0.00 H new ATOM 0 HG CYS A 47 7.226 -1.033 -1.382 1.00 0.00 H new ATOM 756 N GLU A 48 6.664 -5.781 -3.023 1.00 0.00 N ATOM 757 CA GLU A 48 6.347 -7.174 -3.322 1.00 0.00 C ATOM 758 C GLU A 48 7.152 -7.646 -4.533 1.00 0.00 C ATOM 759 O GLU A 48 7.673 -8.763 -4.543 1.00 0.00 O ATOM 760 CB GLU A 48 4.839 -7.352 -3.549 1.00 0.00 C ATOM 761 CG GLU A 48 4.436 -8.776 -3.927 1.00 0.00 C ATOM 762 CD GLU A 48 2.931 -8.989 -3.930 1.00 0.00 C ATOM 763 OE1 GLU A 48 2.262 -8.533 -4.881 1.00 0.00 O ATOM 764 OE2 GLU A 48 2.411 -9.621 -2.984 1.00 0.00 O ATOM 0 H GLU A 48 5.956 -5.111 -3.324 1.00 0.00 H new ATOM 0 HA GLU A 48 6.624 -7.790 -2.467 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.308 -7.063 -2.642 1.00 0.00 H new ATOM 0 HB3 GLU A 48 4.517 -6.672 -4.338 1.00 0.00 H new ATOM 0 HG2 GLU A 48 4.832 -9.009 -4.916 1.00 0.00 H new ATOM 0 HG3 GLU A 48 4.894 -9.475 -3.227 1.00 0.00 H new ATOM 771 N ASP A 49 7.272 -6.781 -5.543 1.00 0.00 N ATOM 772 CA ASP A 49 8.134 -7.061 -6.698 1.00 0.00 C ATOM 773 C ASP A 49 9.582 -7.209 -6.235 1.00 0.00 C ATOM 774 O ASP A 49 10.367 -7.972 -6.805 1.00 0.00 O ATOM 775 CB ASP A 49 8.034 -5.936 -7.743 1.00 0.00 C ATOM 776 CG ASP A 49 8.975 -6.146 -8.928 1.00 0.00 C ATOM 777 OD1 ASP A 49 8.587 -6.842 -9.891 1.00 0.00 O ATOM 778 OD2 ASP A 49 10.108 -5.611 -8.906 1.00 0.00 O ATOM 0 H ASP A 49 6.787 -5.885 -5.586 1.00 0.00 H new ATOM 0 HA ASP A 49 7.801 -7.990 -7.161 1.00 0.00 H new ATOM 0 HB2 ASP A 49 7.008 -5.873 -8.106 1.00 0.00 H new ATOM 0 HB3 ASP A 49 8.263 -4.982 -7.267 1.00 0.00 H new ATOM 783 N PHE A 50 9.910 -6.472 -5.182 1.00 0.00 N ATOM 784 CA PHE A 50 11.235 -6.501 -4.582 1.00 0.00 C ATOM 785 C PHE A 50 11.534 -7.870 -3.970 1.00 0.00 C ATOM 786 O PHE A 50 12.556 -8.477 -4.275 1.00 0.00 O ATOM 787 CB PHE A 50 11.340 -5.392 -3.523 1.00 0.00 C ATOM 788 CG PHE A 50 12.543 -5.493 -2.619 1.00 0.00 C ATOM 789 CD1 PHE A 50 13.799 -5.111 -3.062 1.00 0.00 C ATOM 790 CD2 PHE A 50 12.413 -5.965 -1.318 1.00 0.00 C ATOM 791 CE1 PHE A 50 14.896 -5.196 -2.228 1.00 0.00 C ATOM 792 CE2 PHE A 50 13.509 -6.053 -0.483 1.00 0.00 C ATOM 793 CZ PHE A 50 14.751 -5.668 -0.938 1.00 0.00 C ATOM 0 H PHE A 50 9.261 -5.835 -4.719 1.00 0.00 H new ATOM 0 HA PHE A 50 11.978 -6.324 -5.360 1.00 0.00 H new ATOM 0 HB2 PHE A 50 11.363 -4.427 -4.029 1.00 0.00 H new ATOM 0 HB3 PHE A 50 10.439 -5.409 -2.909 1.00 0.00 H new ATOM 0 HD1 PHE A 50 13.921 -4.743 -4.070 1.00 0.00 H new ATOM 0 HD2 PHE A 50 11.442 -6.267 -0.955 1.00 0.00 H new ATOM 0 HE1 PHE A 50 15.869 -4.893 -2.585 1.00 0.00 H new ATOM 0 HE2 PHE A 50 13.393 -6.423 0.525 1.00 0.00 H new ATOM 0 HZ PHE A 50 15.610 -5.735 -0.287 1.00 0.00 H new ATOM 803 N LYS A 51 10.638 -8.357 -3.114 1.00 0.00 N ATOM 804 CA LYS A 51 10.829 -9.662 -2.478 1.00 0.00 C ATOM 805 C LYS A 51 10.697 -10.776 -3.518 1.00 0.00 C ATOM 806 O LYS A 51 11.188 -11.889 -3.330 1.00 0.00 O ATOM 807 CB LYS A 51 9.846 -9.844 -1.304 1.00 0.00 C ATOM 808 CG LYS A 51 8.363 -9.922 -1.686 1.00 0.00 C ATOM 809 CD LYS A 51 7.927 -11.347 -2.028 1.00 0.00 C ATOM 810 CE LYS A 51 6.423 -11.450 -2.225 1.00 0.00 C ATOM 811 NZ LYS A 51 5.988 -12.859 -2.413 1.00 0.00 N ATOM 0 H LYS A 51 9.780 -7.875 -2.846 1.00 0.00 H new ATOM 0 HA LYS A 51 11.835 -9.715 -2.062 1.00 0.00 H new ATOM 0 HB2 LYS A 51 10.113 -10.755 -0.768 1.00 0.00 H new ATOM 0 HB3 LYS A 51 9.980 -9.015 -0.609 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.757 -9.547 -0.861 1.00 0.00 H new ATOM 0 HG3 LYS A 51 8.175 -9.272 -2.541 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.435 -11.674 -2.935 1.00 0.00 H new ATOM 0 HD3 LYS A 51 8.235 -12.022 -1.230 1.00 0.00 H new ATOM 0 HE2 LYS A 51 5.913 -11.024 -1.361 1.00 0.00 H new ATOM 0 HE3 LYS A 51 6.128 -10.859 -3.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.957 -12.889 -2.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 6.456 -13.258 -3.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 6.247 -13.417 -1.574 1.00 0.00 H new ATOM 825 N LYS A 52 10.026 -10.449 -4.616 1.00 0.00 N ATOM 826 CA LYS A 52 9.920 -11.334 -5.774 1.00 0.00 C ATOM 827 C LYS A 52 11.278 -11.451 -6.480 1.00 0.00 C ATOM 828 O LYS A 52 11.534 -12.407 -7.217 1.00 0.00 O ATOM 829 CB LYS A 52 8.828 -10.788 -6.719 1.00 0.00 C ATOM 830 CG LYS A 52 9.125 -10.914 -8.211 1.00 0.00 C ATOM 831 CD LYS A 52 8.032 -10.257 -9.050 1.00 0.00 C ATOM 832 CE LYS A 52 8.414 -10.172 -10.523 1.00 0.00 C ATOM 833 NZ LYS A 52 9.589 -9.289 -10.748 1.00 0.00 N ATOM 0 H LYS A 52 9.538 -9.561 -4.731 1.00 0.00 H new ATOM 0 HA LYS A 52 9.636 -12.337 -5.456 1.00 0.00 H new ATOM 0 HB2 LYS A 52 7.895 -11.310 -6.507 1.00 0.00 H new ATOM 0 HB3 LYS A 52 8.664 -9.736 -6.487 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.086 -10.450 -8.433 1.00 0.00 H new ATOM 0 HG3 LYS A 52 9.210 -11.967 -8.480 1.00 0.00 H new ATOM 0 HD2 LYS A 52 7.107 -10.824 -8.948 1.00 0.00 H new ATOM 0 HD3 LYS A 52 7.835 -9.255 -8.668 1.00 0.00 H new ATOM 0 HE2 LYS A 52 8.636 -11.171 -10.897 1.00 0.00 H new ATOM 0 HE3 LYS A 52 7.565 -9.798 -11.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 9.710 -9.125 -11.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 9.437 -8.380 -10.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 10.443 -9.744 -10.367 1.00 0.00 H new ATOM 847 N SER A 53 12.154 -10.485 -6.221 1.00 0.00 N ATOM 848 CA SER A 53 13.497 -10.466 -6.800 1.00 0.00 C ATOM 849 C SER A 53 14.454 -11.326 -5.966 1.00 0.00 C ATOM 850 O SER A 53 15.594 -10.937 -5.706 1.00 0.00 O ATOM 851 CB SER A 53 13.997 -9.018 -6.874 1.00 0.00 C ATOM 852 OG SER A 53 13.043 -8.186 -7.518 1.00 0.00 O ATOM 0 H SER A 53 11.956 -9.695 -5.607 1.00 0.00 H new ATOM 0 HA SER A 53 13.461 -10.884 -7.806 1.00 0.00 H new ATOM 0 HB2 SER A 53 14.192 -8.644 -5.869 1.00 0.00 H new ATOM 0 HB3 SER A 53 14.942 -8.982 -7.416 1.00 0.00 H new ATOM 0 HG SER A 53 12.217 -8.166 -6.990 1.00 0.00 H new ATOM 858 N LYS A 54 13.973 -12.507 -5.571 1.00 0.00 N ATOM 859 CA LYS A 54 14.729 -13.433 -4.723 1.00 0.00 C ATOM 860 C LYS A 54 16.133 -13.725 -5.280 1.00 0.00 C ATOM 861 O LYS A 54 16.313 -14.541 -6.183 1.00 0.00 O ATOM 862 CB LYS A 54 13.927 -14.739 -4.493 1.00 0.00 C ATOM 863 CG LYS A 54 12.965 -15.123 -5.629 1.00 0.00 C ATOM 864 CD LYS A 54 13.688 -15.497 -6.921 1.00 0.00 C ATOM 865 CE LYS A 54 12.714 -15.827 -8.047 1.00 0.00 C ATOM 866 NZ LYS A 54 11.833 -16.975 -7.706 1.00 0.00 N ATOM 0 H LYS A 54 13.048 -12.849 -5.830 1.00 0.00 H new ATOM 0 HA LYS A 54 14.876 -12.946 -3.759 1.00 0.00 H new ATOM 0 HB2 LYS A 54 14.631 -15.557 -4.342 1.00 0.00 H new ATOM 0 HB3 LYS A 54 13.354 -14.637 -3.571 1.00 0.00 H new ATOM 0 HG2 LYS A 54 12.349 -15.963 -5.308 1.00 0.00 H new ATOM 0 HG3 LYS A 54 12.291 -14.289 -5.824 1.00 0.00 H new ATOM 0 HD2 LYS A 54 14.331 -14.672 -7.228 1.00 0.00 H new ATOM 0 HD3 LYS A 54 14.335 -16.355 -6.739 1.00 0.00 H new ATOM 0 HE2 LYS A 54 12.101 -14.952 -8.264 1.00 0.00 H new ATOM 0 HE3 LYS A 54 13.273 -16.057 -8.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 11.308 -17.273 -8.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 12.412 -17.767 -7.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 11.161 -16.689 -6.965 1.00 0.00 H new ATOM 880 N GLY A 55 17.119 -13.022 -4.734 1.00 0.00 N ATOM 881 CA GLY A 55 18.506 -13.231 -5.107 1.00 0.00 C ATOM 882 C GLY A 55 19.414 -12.299 -4.330 1.00 0.00 C ATOM 883 O GLY A 55 19.165 -11.099 -4.310 1.00 0.00 O ATOM 0 H GLY A 55 16.978 -12.299 -4.028 1.00 0.00 H new ATOM 0 HA2 GLY A 55 18.788 -14.266 -4.914 1.00 0.00 H new ATOM 0 HA3 GLY A 55 18.630 -13.060 -6.176 1.00 0.00 H new ATOM 887 N PRO A 56 20.479 -12.817 -3.686 1.00 0.00 N ATOM 888 CA PRO A 56 21.327 -12.028 -2.778 1.00 0.00 C ATOM 889 C PRO A 56 21.718 -10.663 -3.358 1.00 0.00 C ATOM 890 O PRO A 56 21.413 -9.622 -2.774 1.00 0.00 O ATOM 891 CB PRO A 56 22.572 -12.918 -2.563 1.00 0.00 C ATOM 892 CG PRO A 56 22.436 -14.051 -3.534 1.00 0.00 C ATOM 893 CD PRO A 56 20.963 -14.201 -3.798 1.00 0.00 C ATOM 0 HA PRO A 56 20.803 -11.788 -1.853 1.00 0.00 H new ATOM 0 HB2 PRO A 56 23.489 -12.357 -2.742 1.00 0.00 H new ATOM 0 HB3 PRO A 56 22.618 -13.285 -1.538 1.00 0.00 H new ATOM 0 HG2 PRO A 56 22.978 -13.841 -4.456 1.00 0.00 H new ATOM 0 HG3 PRO A 56 22.853 -14.970 -3.122 1.00 0.00 H new ATOM 0 HD2 PRO A 56 20.768 -14.621 -4.785 1.00 0.00 H new ATOM 0 HD3 PRO A 56 20.485 -14.858 -3.072 1.00 0.00 H new ATOM 901 N GLN A 57 22.371 -10.673 -4.516 1.00 0.00 N ATOM 902 CA GLN A 57 22.825 -9.438 -5.155 1.00 0.00 C ATOM 903 C GLN A 57 21.637 -8.651 -5.705 1.00 0.00 C ATOM 904 O GLN A 57 21.594 -7.420 -5.616 1.00 0.00 O ATOM 905 CB GLN A 57 23.820 -9.762 -6.280 1.00 0.00 C ATOM 906 CG GLN A 57 25.067 -10.498 -5.799 1.00 0.00 C ATOM 907 CD GLN A 57 25.955 -10.957 -6.941 1.00 0.00 C ATOM 908 OE1 GLN A 57 25.796 -12.065 -7.458 1.00 0.00 O ATOM 909 NE2 GLN A 57 26.899 -10.117 -7.337 1.00 0.00 N ATOM 0 H GLN A 57 22.599 -11.522 -5.033 1.00 0.00 H new ATOM 0 HA GLN A 57 23.327 -8.823 -4.408 1.00 0.00 H new ATOM 0 HB2 GLN A 57 23.318 -10.369 -7.034 1.00 0.00 H new ATOM 0 HB3 GLN A 57 24.121 -8.834 -6.766 1.00 0.00 H new ATOM 0 HG2 GLN A 57 25.638 -9.844 -5.141 1.00 0.00 H new ATOM 0 HG3 GLN A 57 24.767 -11.363 -5.207 1.00 0.00 H new ATOM 0 HE21 GLN A 57 26.997 -9.209 -6.883 1.00 0.00 H new ATOM 0 HE22 GLN A 57 27.528 -10.378 -8.096 1.00 0.00 H new ATOM 918 N GLN A 58 20.666 -9.384 -6.245 1.00 0.00 N ATOM 919 CA GLN A 58 19.473 -8.792 -6.850 1.00 0.00 C ATOM 920 C GLN A 58 18.737 -7.911 -5.834 1.00 0.00 C ATOM 921 O GLN A 58 18.298 -6.804 -6.153 1.00 0.00 O ATOM 922 CB GLN A 58 18.546 -9.909 -7.359 1.00 0.00 C ATOM 923 CG GLN A 58 17.395 -9.427 -8.236 1.00 0.00 C ATOM 924 CD GLN A 58 17.850 -8.937 -9.602 1.00 0.00 C ATOM 925 OE1 GLN A 58 18.140 -7.758 -9.791 1.00 0.00 O ATOM 926 NE2 GLN A 58 17.913 -9.841 -10.568 1.00 0.00 N ATOM 0 H GLN A 58 20.683 -10.403 -6.276 1.00 0.00 H new ATOM 0 HA GLN A 58 19.774 -8.166 -7.690 1.00 0.00 H new ATOM 0 HB2 GLN A 58 19.140 -10.627 -7.924 1.00 0.00 H new ATOM 0 HB3 GLN A 58 18.134 -10.441 -6.501 1.00 0.00 H new ATOM 0 HG2 GLN A 58 16.681 -10.240 -8.368 1.00 0.00 H new ATOM 0 HG3 GLN A 58 16.869 -8.621 -7.724 1.00 0.00 H new ATOM 0 HE21 GLN A 58 17.665 -10.811 -10.375 1.00 0.00 H new ATOM 0 HE22 GLN A 58 18.210 -9.567 -11.505 1.00 0.00 H new ATOM 935 N ILE A 59 18.637 -8.408 -4.606 1.00 0.00 N ATOM 936 CA ILE A 59 17.943 -7.710 -3.527 1.00 0.00 C ATOM 937 C ILE A 59 18.555 -6.330 -3.273 1.00 0.00 C ATOM 938 O ILE A 59 17.842 -5.332 -3.186 1.00 0.00 O ATOM 939 CB ILE A 59 17.979 -8.540 -2.212 1.00 0.00 C ATOM 940 CG1 ILE A 59 17.176 -9.844 -2.369 1.00 0.00 C ATOM 941 CG2 ILE A 59 17.454 -7.730 -1.027 1.00 0.00 C ATOM 942 CD1 ILE A 59 15.705 -9.634 -2.664 1.00 0.00 C ATOM 0 H ILE A 59 19.034 -9.306 -4.329 1.00 0.00 H new ATOM 0 HA ILE A 59 16.907 -7.583 -3.841 1.00 0.00 H new ATOM 0 HB ILE A 59 19.020 -8.794 -2.010 1.00 0.00 H new ATOM 0 HG12 ILE A 59 17.616 -10.434 -3.173 1.00 0.00 H new ATOM 0 HG13 ILE A 59 17.272 -10.429 -1.455 1.00 0.00 H new ATOM 0 HG21 ILE A 59 17.493 -8.339 -0.124 1.00 0.00 H new ATOM 0 HG22 ILE A 59 18.071 -6.841 -0.892 1.00 0.00 H new ATOM 0 HG23 ILE A 59 16.424 -7.431 -1.219 1.00 0.00 H new ATOM 0 HD11 ILE A 59 15.211 -10.601 -2.760 1.00 0.00 H new ATOM 0 HD12 ILE A 59 15.247 -9.072 -1.850 1.00 0.00 H new ATOM 0 HD13 ILE A 59 15.596 -9.077 -3.595 1.00 0.00 H new ATOM 954 N HIS A 60 19.880 -6.279 -3.185 1.00 0.00 N ATOM 955 CA HIS A 60 20.578 -5.042 -2.827 1.00 0.00 C ATOM 956 C HIS A 60 20.380 -3.966 -3.892 1.00 0.00 C ATOM 957 O HIS A 60 20.075 -2.816 -3.574 1.00 0.00 O ATOM 958 CB HIS A 60 22.077 -5.303 -2.608 1.00 0.00 C ATOM 959 CG HIS A 60 22.372 -6.139 -1.399 1.00 0.00 C ATOM 960 ND1 HIS A 60 21.915 -7.359 -1.041 1.00 0.00 N flip ATOM 961 CD2 HIS A 60 23.231 -5.745 -0.394 1.00 0.00 C flip ATOM 962 CE1 HIS A 60 22.502 -7.681 0.157 1.00 0.00 C flip ATOM 963 NE2 HIS A 60 23.291 -6.692 0.524 1.00 0.00 N flip ATOM 0 H HIS A 60 20.494 -7.076 -3.355 1.00 0.00 H new ATOM 0 HA HIS A 60 20.147 -4.680 -1.893 1.00 0.00 H new ATOM 0 HB2 HIS A 60 22.483 -5.799 -3.490 1.00 0.00 H new ATOM 0 HB3 HIS A 60 22.593 -4.348 -2.513 1.00 0.00 H new ATOM 0 HD1 HIS A 60 21.255 -7.935 -1.565 1.00 0.00 H new ATOM 0 HD2 HIS A 60 23.770 -4.809 -0.363 1.00 0.00 H new ATOM 0 HE1 HIS A 60 22.343 -8.596 0.709 1.00 0.00 H new ATOM 972 N LEU A 61 20.538 -4.343 -5.156 1.00 0.00 N ATOM 973 CA LEU A 61 20.438 -3.383 -6.251 1.00 0.00 C ATOM 974 C LEU A 61 18.986 -2.934 -6.462 1.00 0.00 C ATOM 975 O LEU A 61 18.736 -1.782 -6.827 1.00 0.00 O ATOM 976 CB LEU A 61 21.056 -3.970 -7.535 1.00 0.00 C ATOM 977 CG LEU A 61 20.448 -5.290 -8.046 1.00 0.00 C ATOM 978 CD1 LEU A 61 19.212 -5.030 -8.905 1.00 0.00 C ATOM 979 CD2 LEU A 61 21.484 -6.105 -8.818 1.00 0.00 C ATOM 0 H LEU A 61 20.735 -5.300 -5.448 1.00 0.00 H new ATOM 0 HA LEU A 61 21.008 -2.492 -5.988 1.00 0.00 H new ATOM 0 HB2 LEU A 61 20.971 -3.226 -8.327 1.00 0.00 H new ATOM 0 HB3 LEU A 61 22.120 -4.129 -7.360 1.00 0.00 H new ATOM 0 HG LEU A 61 20.137 -5.872 -7.178 1.00 0.00 H new ATOM 0 HD11 LEU A 61 18.804 -5.979 -9.252 1.00 0.00 H new ATOM 0 HD12 LEU A 61 18.461 -4.507 -8.313 1.00 0.00 H new ATOM 0 HD13 LEU A 61 19.488 -4.418 -9.764 1.00 0.00 H new ATOM 0 HD21 LEU A 61 21.030 -7.032 -9.168 1.00 0.00 H new ATOM 0 HD22 LEU A 61 21.837 -5.528 -9.673 1.00 0.00 H new ATOM 0 HD23 LEU A 61 22.325 -6.337 -8.165 1.00 0.00 H new ATOM 991 N LYS A 62 18.034 -3.841 -6.217 1.00 0.00 N ATOM 992 CA LYS A 62 16.612 -3.500 -6.302 1.00 0.00 C ATOM 993 C LYS A 62 16.234 -2.544 -5.175 1.00 0.00 C ATOM 994 O LYS A 62 15.508 -1.572 -5.391 1.00 0.00 O ATOM 995 CB LYS A 62 15.730 -4.762 -6.246 1.00 0.00 C ATOM 996 CG LYS A 62 15.744 -5.594 -7.529 1.00 0.00 C ATOM 997 CD LYS A 62 15.137 -4.836 -8.713 1.00 0.00 C ATOM 998 CE LYS A 62 13.634 -4.610 -8.550 1.00 0.00 C ATOM 999 NZ LYS A 62 12.858 -5.880 -8.628 1.00 0.00 N ATOM 0 H LYS A 62 18.222 -4.810 -5.960 1.00 0.00 H new ATOM 0 HA LYS A 62 16.439 -3.011 -7.261 1.00 0.00 H new ATOM 0 HB2 LYS A 62 16.062 -5.387 -5.417 1.00 0.00 H new ATOM 0 HB3 LYS A 62 14.704 -4.465 -6.030 1.00 0.00 H new ATOM 0 HG2 LYS A 62 16.770 -5.876 -7.767 1.00 0.00 H new ATOM 0 HG3 LYS A 62 15.189 -6.518 -7.368 1.00 0.00 H new ATOM 0 HD2 LYS A 62 15.637 -3.873 -8.820 1.00 0.00 H new ATOM 0 HD3 LYS A 62 15.320 -5.394 -9.631 1.00 0.00 H new ATOM 0 HE2 LYS A 62 13.443 -4.129 -7.591 1.00 0.00 H new ATOM 0 HE3 LYS A 62 13.286 -3.926 -9.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 11.842 -5.672 -8.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 13.044 -6.345 -9.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 13.146 -6.511 -7.853 1.00 0.00 H new ATOM 1013 N ALA A 63 16.739 -2.826 -3.976 1.00 0.00 N ATOM 1014 CA ALA A 63 16.508 -1.965 -2.818 1.00 0.00 C ATOM 1015 C ALA A 63 17.079 -0.576 -3.068 1.00 0.00 C ATOM 1016 O ALA A 63 16.473 0.430 -2.705 1.00 0.00 O ATOM 1017 CB ALA A 63 17.128 -2.572 -1.565 1.00 0.00 C ATOM 0 H ALA A 63 17.313 -3.647 -3.781 1.00 0.00 H new ATOM 0 HA ALA A 63 15.432 -1.879 -2.664 1.00 0.00 H new ATOM 0 HB1 ALA A 63 16.945 -1.916 -0.714 1.00 0.00 H new ATOM 0 HB2 ALA A 63 16.681 -3.548 -1.374 1.00 0.00 H new ATOM 0 HB3 ALA A 63 18.202 -2.687 -1.710 1.00 0.00 H new ATOM 1023 N LYS A 64 18.246 -0.538 -3.704 1.00 0.00 N ATOM 1024 CA LYS A 64 18.921 0.717 -4.019 1.00 0.00 C ATOM 1025 C LYS A 64 18.085 1.522 -5.022 1.00 0.00 C ATOM 1026 O LYS A 64 17.988 2.747 -4.926 1.00 0.00 O ATOM 1027 CB LYS A 64 20.329 0.420 -4.576 1.00 0.00 C ATOM 1028 CG LYS A 64 21.388 1.478 -4.253 1.00 0.00 C ATOM 1029 CD LYS A 64 21.097 2.824 -4.910 1.00 0.00 C ATOM 1030 CE LYS A 64 22.219 3.826 -4.663 1.00 0.00 C ATOM 1031 NZ LYS A 64 23.522 3.350 -5.205 1.00 0.00 N ATOM 0 H LYS A 64 18.748 -1.370 -4.014 1.00 0.00 H new ATOM 0 HA LYS A 64 19.029 1.315 -3.114 1.00 0.00 H new ATOM 0 HB2 LYS A 64 20.664 -0.540 -4.183 1.00 0.00 H new ATOM 0 HB3 LYS A 64 20.260 0.315 -5.659 1.00 0.00 H new ATOM 0 HG2 LYS A 64 21.445 1.611 -3.173 1.00 0.00 H new ATOM 0 HG3 LYS A 64 22.364 1.121 -4.582 1.00 0.00 H new ATOM 0 HD2 LYS A 64 20.964 2.684 -5.983 1.00 0.00 H new ATOM 0 HD3 LYS A 64 20.160 3.224 -4.522 1.00 0.00 H new ATOM 0 HE2 LYS A 64 21.961 4.780 -5.124 1.00 0.00 H new ATOM 0 HE3 LYS A 64 22.316 4.005 -3.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 24.196 4.141 -5.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 23.897 2.596 -4.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 23.383 2.980 -6.167 1.00 0.00 H new ATOM 1045 N ALA A 65 17.470 0.821 -5.973 1.00 0.00 N ATOM 1046 CA ALA A 65 16.598 1.461 -6.959 1.00 0.00 C ATOM 1047 C ALA A 65 15.365 2.049 -6.274 1.00 0.00 C ATOM 1048 O ALA A 65 15.022 3.219 -6.471 1.00 0.00 O ATOM 1049 CB ALA A 65 16.191 0.459 -8.036 1.00 0.00 C ATOM 0 H ALA A 65 17.559 -0.189 -6.082 1.00 0.00 H new ATOM 0 HA ALA A 65 17.146 2.274 -7.436 1.00 0.00 H new ATOM 0 HB1 ALA A 65 15.543 0.949 -8.762 1.00 0.00 H new ATOM 0 HB2 ALA A 65 17.082 0.084 -8.540 1.00 0.00 H new ATOM 0 HB3 ALA A 65 15.657 -0.373 -7.576 1.00 0.00 H new ATOM 1055 N ILE A 66 14.712 1.230 -5.451 1.00 0.00 N ATOM 1056 CA ILE A 66 13.551 1.667 -4.677 1.00 0.00 C ATOM 1057 C ILE A 66 13.950 2.791 -3.723 1.00 0.00 C ATOM 1058 O ILE A 66 13.153 3.677 -3.414 1.00 0.00 O ATOM 1059 CB ILE A 66 12.933 0.490 -3.872 1.00 0.00 C ATOM 1060 CG1 ILE A 66 12.459 -0.621 -4.828 1.00 0.00 C ATOM 1061 CG2 ILE A 66 11.777 0.973 -2.992 1.00 0.00 C ATOM 1062 CD1 ILE A 66 11.878 -1.831 -4.125 1.00 0.00 C ATOM 0 H ILE A 66 14.969 0.254 -5.303 1.00 0.00 H new ATOM 0 HA ILE A 66 12.800 2.033 -5.377 1.00 0.00 H new ATOM 0 HB ILE A 66 13.704 0.082 -3.218 1.00 0.00 H new ATOM 0 HG12 ILE A 66 11.708 -0.210 -5.503 1.00 0.00 H new ATOM 0 HG13 ILE A 66 13.300 -0.940 -5.444 1.00 0.00 H new ATOM 0 HG21 ILE A 66 11.363 0.129 -2.440 1.00 0.00 H new ATOM 0 HG22 ILE A 66 12.143 1.722 -2.290 1.00 0.00 H new ATOM 0 HG23 ILE A 66 11.001 1.412 -3.619 1.00 0.00 H new ATOM 0 HD11 ILE A 66 11.568 -2.568 -4.866 1.00 0.00 H new ATOM 0 HD12 ILE A 66 12.632 -2.269 -3.471 1.00 0.00 H new ATOM 0 HD13 ILE A 66 11.016 -1.528 -3.531 1.00 0.00 H new ATOM 1074 N TYR A 67 15.200 2.753 -3.278 1.00 0.00 N ATOM 1075 CA TYR A 67 15.742 3.772 -2.391 1.00 0.00 C ATOM 1076 C TYR A 67 15.656 5.150 -3.044 1.00 0.00 C ATOM 1077 O TYR A 67 15.000 6.053 -2.524 1.00 0.00 O ATOM 1078 CB TYR A 67 17.197 3.433 -2.031 1.00 0.00 C ATOM 1079 CG TYR A 67 17.876 4.438 -1.115 1.00 0.00 C ATOM 1080 CD1 TYR A 67 17.741 4.350 0.267 1.00 0.00 C ATOM 1081 CD2 TYR A 67 18.663 5.463 -1.632 1.00 0.00 C ATOM 1082 CE1 TYR A 67 18.366 5.254 1.104 1.00 0.00 C ATOM 1083 CE2 TYR A 67 19.288 6.371 -0.801 1.00 0.00 C ATOM 1084 CZ TYR A 67 19.138 6.263 0.566 1.00 0.00 C ATOM 1085 OH TYR A 67 19.765 7.167 1.396 1.00 0.00 O ATOM 0 H TYR A 67 15.863 2.017 -3.521 1.00 0.00 H new ATOM 0 HA TYR A 67 15.151 3.793 -1.475 1.00 0.00 H new ATOM 0 HB2 TYR A 67 17.220 2.453 -1.553 1.00 0.00 H new ATOM 0 HB3 TYR A 67 17.775 3.352 -2.951 1.00 0.00 H new ATOM 0 HD1 TYR A 67 17.138 3.562 0.692 1.00 0.00 H new ATOM 0 HD2 TYR A 67 18.787 5.549 -2.701 1.00 0.00 H new ATOM 0 HE1 TYR A 67 18.251 5.171 2.175 1.00 0.00 H new ATOM 0 HE2 TYR A 67 19.892 7.163 -1.219 1.00 0.00 H new ATOM 0 HH TYR A 67 20.269 7.811 0.857 1.00 0.00 H new ATOM 1095 N GLU A 68 16.282 5.280 -4.207 1.00 0.00 N ATOM 1096 CA GLU A 68 16.424 6.572 -4.874 1.00 0.00 C ATOM 1097 C GLU A 68 15.087 7.090 -5.419 1.00 0.00 C ATOM 1098 O GLU A 68 14.897 8.300 -5.558 1.00 0.00 O ATOM 1099 CB GLU A 68 17.448 6.457 -6.012 1.00 0.00 C ATOM 1100 CG GLU A 68 18.796 5.894 -5.567 1.00 0.00 C ATOM 1101 CD GLU A 68 19.813 5.820 -6.694 1.00 0.00 C ATOM 1102 OE1 GLU A 68 19.676 4.942 -7.574 1.00 0.00 O ATOM 1103 OE2 GLU A 68 20.757 6.640 -6.705 1.00 0.00 O ATOM 0 H GLU A 68 16.703 4.501 -4.713 1.00 0.00 H new ATOM 0 HA GLU A 68 16.773 7.291 -4.133 1.00 0.00 H new ATOM 0 HB2 GLU A 68 17.038 5.819 -6.795 1.00 0.00 H new ATOM 0 HB3 GLU A 68 17.602 7.442 -6.451 1.00 0.00 H new ATOM 0 HG2 GLU A 68 19.196 6.515 -4.765 1.00 0.00 H new ATOM 0 HG3 GLU A 68 18.648 4.896 -5.153 1.00 0.00 H new ATOM 1110 N LYS A 69 14.163 6.181 -5.727 1.00 0.00 N ATOM 1111 CA LYS A 69 12.897 6.568 -6.357 1.00 0.00 C ATOM 1112 C LYS A 69 11.737 6.652 -5.351 1.00 0.00 C ATOM 1113 O LYS A 69 10.800 7.427 -5.547 1.00 0.00 O ATOM 1114 CB LYS A 69 12.559 5.591 -7.498 1.00 0.00 C ATOM 1115 CG LYS A 69 11.249 5.909 -8.223 1.00 0.00 C ATOM 1116 CD LYS A 69 11.147 5.208 -9.578 1.00 0.00 C ATOM 1117 CE LYS A 69 11.286 3.695 -9.464 1.00 0.00 C ATOM 1118 NZ LYS A 69 11.197 3.033 -10.794 1.00 0.00 N ATOM 0 H LYS A 69 14.263 5.181 -5.554 1.00 0.00 H new ATOM 0 HA LYS A 69 13.028 7.571 -6.764 1.00 0.00 H new ATOM 0 HB2 LYS A 69 13.374 5.598 -8.222 1.00 0.00 H new ATOM 0 HB3 LYS A 69 12.502 4.581 -7.092 1.00 0.00 H new ATOM 0 HG2 LYS A 69 10.409 5.608 -7.597 1.00 0.00 H new ATOM 0 HG3 LYS A 69 11.169 6.986 -8.368 1.00 0.00 H new ATOM 0 HD2 LYS A 69 10.188 5.448 -10.036 1.00 0.00 H new ATOM 0 HD3 LYS A 69 11.922 5.592 -10.241 1.00 0.00 H new ATOM 0 HE2 LYS A 69 12.241 3.451 -8.999 1.00 0.00 H new ATOM 0 HE3 LYS A 69 10.505 3.306 -8.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 11.296 2.004 -10.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 10.275 3.245 -11.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 11.958 3.386 -11.409 1.00 0.00 H new ATOM 1132 N PHE A 70 11.800 5.872 -4.273 1.00 0.00 N ATOM 1133 CA PHE A 70 10.702 5.823 -3.298 1.00 0.00 C ATOM 1134 C PHE A 70 11.158 6.241 -1.898 1.00 0.00 C ATOM 1135 O PHE A 70 10.481 7.023 -1.228 1.00 0.00 O ATOM 1136 CB PHE A 70 10.087 4.417 -3.245 1.00 0.00 C ATOM 1137 CG PHE A 70 9.376 4.006 -4.512 1.00 0.00 C ATOM 1138 CD1 PHE A 70 8.088 4.454 -4.774 1.00 0.00 C ATOM 1139 CD2 PHE A 70 9.988 3.168 -5.432 1.00 0.00 C ATOM 1140 CE1 PHE A 70 7.428 4.077 -5.928 1.00 0.00 C ATOM 1141 CE2 PHE A 70 9.332 2.786 -6.587 1.00 0.00 C ATOM 1142 CZ PHE A 70 8.051 3.242 -6.835 1.00 0.00 C ATOM 0 H PHE A 70 12.591 5.268 -4.050 1.00 0.00 H new ATOM 0 HA PHE A 70 9.948 6.536 -3.632 1.00 0.00 H new ATOM 0 HB2 PHE A 70 10.876 3.695 -3.033 1.00 0.00 H new ATOM 0 HB3 PHE A 70 9.382 4.372 -2.415 1.00 0.00 H new ATOM 0 HD1 PHE A 70 7.596 5.105 -4.067 1.00 0.00 H new ATOM 0 HD2 PHE A 70 10.989 2.810 -5.244 1.00 0.00 H new ATOM 0 HE1 PHE A 70 6.427 4.434 -6.120 1.00 0.00 H new ATOM 0 HE2 PHE A 70 9.820 2.132 -7.295 1.00 0.00 H new ATOM 0 HZ PHE A 70 7.537 2.946 -7.738 1.00 0.00 H new ATOM 1152 N ILE A 71 12.304 5.728 -1.456 1.00 0.00 N ATOM 1153 CA ILE A 71 12.759 5.959 -0.084 1.00 0.00 C ATOM 1154 C ILE A 71 13.330 7.366 0.073 1.00 0.00 C ATOM 1155 O ILE A 71 13.364 7.910 1.181 1.00 0.00 O ATOM 1156 CB ILE A 71 13.811 4.907 0.356 1.00 0.00 C ATOM 1157 CG1 ILE A 71 13.253 3.485 0.155 1.00 0.00 C ATOM 1158 CG2 ILE A 71 14.228 5.123 1.813 1.00 0.00 C ATOM 1159 CD1 ILE A 71 11.946 3.227 0.875 1.00 0.00 C ATOM 0 H ILE A 71 12.931 5.155 -2.021 1.00 0.00 H new ATOM 0 HA ILE A 71 11.888 5.858 0.563 1.00 0.00 H new ATOM 0 HB ILE A 71 14.698 5.027 -0.265 1.00 0.00 H new ATOM 0 HG12 ILE A 71 13.109 3.310 -0.911 1.00 0.00 H new ATOM 0 HG13 ILE A 71 13.994 2.763 0.499 1.00 0.00 H new ATOM 0 HG21 ILE A 71 14.966 4.372 2.095 1.00 0.00 H new ATOM 0 HG22 ILE A 71 14.661 6.117 1.924 1.00 0.00 H new ATOM 0 HG23 ILE A 71 13.354 5.034 2.459 1.00 0.00 H new ATOM 0 HD11 ILE A 71 11.620 2.205 0.683 1.00 0.00 H new ATOM 0 HD12 ILE A 71 12.087 3.368 1.947 1.00 0.00 H new ATOM 0 HD13 ILE A 71 11.188 3.923 0.514 1.00 0.00 H new ATOM 1171 N GLN A 72 13.757 7.952 -1.045 1.00 0.00 N ATOM 1172 CA GLN A 72 14.262 9.325 -1.068 1.00 0.00 C ATOM 1173 C GLN A 72 13.281 10.275 -0.376 1.00 0.00 C ATOM 1174 O GLN A 72 12.067 10.047 -0.385 1.00 0.00 O ATOM 1175 CB GLN A 72 14.510 9.774 -2.521 1.00 0.00 C ATOM 1176 CG GLN A 72 14.957 11.233 -2.671 1.00 0.00 C ATOM 1177 CD GLN A 72 16.309 11.531 -2.029 1.00 0.00 C ATOM 1178 OE1 GLN A 72 16.700 10.911 -1.042 1.00 0.00 O ATOM 1179 NE2 GLN A 72 17.030 12.493 -2.582 1.00 0.00 N ATOM 0 H GLN A 72 13.763 7.492 -1.955 1.00 0.00 H new ATOM 0 HA GLN A 72 15.206 9.355 -0.524 1.00 0.00 H new ATOM 0 HB2 GLN A 72 15.269 9.128 -2.962 1.00 0.00 H new ATOM 0 HB3 GLN A 72 13.594 9.628 -3.094 1.00 0.00 H new ATOM 0 HG2 GLN A 72 15.006 11.481 -3.731 1.00 0.00 H new ATOM 0 HG3 GLN A 72 14.203 11.882 -2.226 1.00 0.00 H new ATOM 0 HE21 GLN A 72 16.677 12.988 -3.401 1.00 0.00 H new ATOM 0 HE22 GLN A 72 17.939 12.739 -2.190 1.00 0.00 H new ATOM 1188 N THR A 73 13.815 11.321 0.248 1.00 0.00 N ATOM 1189 CA THR A 73 13.002 12.302 0.955 1.00 0.00 C ATOM 1190 C THR A 73 11.966 12.937 0.026 1.00 0.00 C ATOM 1191 O THR A 73 10.803 13.109 0.399 1.00 0.00 O ATOM 1192 CB THR A 73 13.890 13.404 1.574 1.00 0.00 C ATOM 1193 OG1 THR A 73 14.938 12.801 2.348 1.00 0.00 O ATOM 1194 CG2 THR A 73 13.072 14.339 2.461 1.00 0.00 C ATOM 0 H THR A 73 14.817 11.511 0.277 1.00 0.00 H new ATOM 0 HA THR A 73 12.477 11.777 1.753 1.00 0.00 H new ATOM 0 HB THR A 73 14.319 13.992 0.763 1.00 0.00 H new ATOM 0 HG1 THR A 73 15.501 13.502 2.738 1.00 0.00 H new ATOM 0 HG21 THR A 73 13.724 15.104 2.882 1.00 0.00 H new ATOM 0 HG22 THR A 73 12.292 14.815 1.866 1.00 0.00 H new ATOM 0 HG23 THR A 73 12.615 13.767 3.268 1.00 0.00 H new ATOM 1202 N ASP A 74 12.393 13.272 -1.190 1.00 0.00 N ATOM 1203 CA ASP A 74 11.506 13.898 -2.170 1.00 0.00 C ATOM 1204 C ASP A 74 10.681 12.836 -2.891 1.00 0.00 C ATOM 1205 O ASP A 74 9.481 12.701 -2.643 1.00 0.00 O ATOM 1206 CB ASP A 74 12.313 14.711 -3.194 1.00 0.00 C ATOM 1207 CG ASP A 74 13.287 15.674 -2.543 1.00 0.00 C ATOM 1208 OD1 ASP A 74 12.902 16.827 -2.255 1.00 0.00 O ATOM 1209 OD2 ASP A 74 14.451 15.280 -2.318 1.00 0.00 O ATOM 0 H ASP A 74 13.346 13.121 -1.520 1.00 0.00 H new ATOM 0 HA ASP A 74 10.835 14.573 -1.638 1.00 0.00 H new ATOM 0 HB2 ASP A 74 12.863 14.028 -3.842 1.00 0.00 H new ATOM 0 HB3 ASP A 74 11.626 15.270 -3.830 1.00 0.00 H new ATOM 1214 N ALA A 75 11.348 12.078 -3.770 1.00 0.00 N ATOM 1215 CA ALA A 75 10.708 11.042 -4.585 1.00 0.00 C ATOM 1216 C ALA A 75 9.782 11.671 -5.636 1.00 0.00 C ATOM 1217 O ALA A 75 9.012 12.579 -5.327 1.00 0.00 O ATOM 1218 CB ALA A 75 9.945 10.044 -3.710 1.00 0.00 C ATOM 0 H ALA A 75 12.351 12.168 -3.935 1.00 0.00 H new ATOM 0 HA ALA A 75 11.492 10.494 -5.108 1.00 0.00 H new ATOM 0 HB1 ALA A 75 9.481 9.287 -4.342 1.00 0.00 H new ATOM 0 HB2 ALA A 75 10.637 9.564 -3.018 1.00 0.00 H new ATOM 0 HB3 ALA A 75 9.174 10.569 -3.147 1.00 0.00 H new ATOM 1224 N PRO A 76 9.844 11.200 -6.899 1.00 0.00 N ATOM 1225 CA PRO A 76 9.027 11.753 -7.993 1.00 0.00 C ATOM 1226 C PRO A 76 7.529 11.641 -7.704 1.00 0.00 C ATOM 1227 O PRO A 76 6.743 12.525 -8.055 1.00 0.00 O ATOM 1228 CB PRO A 76 9.421 10.896 -9.212 1.00 0.00 C ATOM 1229 CG PRO A 76 10.033 9.661 -8.636 1.00 0.00 C ATOM 1230 CD PRO A 76 10.708 10.099 -7.366 1.00 0.00 C ATOM 0 HA PRO A 76 9.206 12.818 -8.142 1.00 0.00 H new ATOM 0 HB2 PRO A 76 8.551 10.657 -9.824 1.00 0.00 H new ATOM 0 HB3 PRO A 76 10.127 11.424 -9.854 1.00 0.00 H new ATOM 0 HG2 PRO A 76 9.274 8.904 -8.436 1.00 0.00 H new ATOM 0 HG3 PRO A 76 10.749 9.219 -9.328 1.00 0.00 H new ATOM 0 HD2 PRO A 76 10.762 9.290 -6.637 1.00 0.00 H new ATOM 0 HD3 PRO A 76 11.729 10.435 -7.546 1.00 0.00 H new ATOM 1238 N LYS A 77 7.143 10.549 -7.050 1.00 0.00 N ATOM 1239 CA LYS A 77 5.748 10.316 -6.685 1.00 0.00 C ATOM 1240 C LYS A 77 5.435 10.947 -5.327 1.00 0.00 C ATOM 1241 O LYS A 77 4.270 11.146 -4.982 1.00 0.00 O ATOM 1242 CB LYS A 77 5.451 8.807 -6.663 1.00 0.00 C ATOM 1243 CG LYS A 77 5.682 8.111 -8.007 1.00 0.00 C ATOM 1244 CD LYS A 77 4.740 8.631 -9.096 1.00 0.00 C ATOM 1245 CE LYS A 77 3.291 8.221 -8.847 1.00 0.00 C ATOM 1246 NZ LYS A 77 3.088 6.757 -9.014 1.00 0.00 N ATOM 0 H LYS A 77 7.781 9.807 -6.760 1.00 0.00 H new ATOM 0 HA LYS A 77 5.109 10.785 -7.433 1.00 0.00 H new ATOM 0 HB2 LYS A 77 6.078 8.334 -5.907 1.00 0.00 H new ATOM 0 HB3 LYS A 77 4.415 8.655 -6.359 1.00 0.00 H new ATOM 0 HG2 LYS A 77 6.715 8.262 -8.320 1.00 0.00 H new ATOM 0 HG3 LYS A 77 5.539 7.037 -7.888 1.00 0.00 H new ATOM 0 HD2 LYS A 77 4.806 9.718 -9.142 1.00 0.00 H new ATOM 0 HD3 LYS A 77 5.062 8.251 -10.065 1.00 0.00 H new ATOM 0 HE2 LYS A 77 3.000 8.514 -7.838 1.00 0.00 H new ATOM 0 HE3 LYS A 77 2.639 8.758 -9.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 2.297 6.446 -8.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 2.872 6.548 -10.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 3.953 6.252 -8.734 1.00 0.00 H new ATOM 1260 N GLU A 78 6.495 11.288 -4.587 1.00 0.00 N ATOM 1261 CA GLU A 78 6.379 11.862 -3.244 1.00 0.00 C ATOM 1262 C GLU A 78 5.621 10.918 -2.307 1.00 0.00 C ATOM 1263 O GLU A 78 4.410 11.058 -2.101 1.00 0.00 O ATOM 1264 CB GLU A 78 5.712 13.248 -3.296 1.00 0.00 C ATOM 1265 CG GLU A 78 6.488 14.262 -4.132 1.00 0.00 C ATOM 1266 CD GLU A 78 5.768 15.592 -4.276 1.00 0.00 C ATOM 1267 OE1 GLU A 78 4.871 15.695 -5.142 1.00 0.00 O ATOM 1268 OE2 GLU A 78 6.102 16.544 -3.542 1.00 0.00 O ATOM 0 H GLU A 78 7.458 11.173 -4.903 1.00 0.00 H new ATOM 0 HA GLU A 78 7.385 11.990 -2.843 1.00 0.00 H new ATOM 0 HB2 GLU A 78 4.707 13.144 -3.705 1.00 0.00 H new ATOM 0 HB3 GLU A 78 5.606 13.630 -2.281 1.00 0.00 H new ATOM 0 HG2 GLU A 78 7.463 14.431 -3.674 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.669 13.845 -5.123 1.00 0.00 H new ATOM 1275 N VAL A 79 6.350 9.950 -1.751 1.00 0.00 N ATOM 1276 CA VAL A 79 5.759 8.928 -0.891 1.00 0.00 C ATOM 1277 C VAL A 79 5.566 9.468 0.527 1.00 0.00 C ATOM 1278 O VAL A 79 6.424 10.181 1.055 1.00 0.00 O ATOM 1279 CB VAL A 79 6.638 7.649 -0.846 1.00 0.00 C ATOM 1280 CG1 VAL A 79 5.946 6.535 -0.059 1.00 0.00 C ATOM 1281 CG2 VAL A 79 6.985 7.184 -2.261 1.00 0.00 C ATOM 0 H VAL A 79 7.357 9.853 -1.883 1.00 0.00 H new ATOM 0 HA VAL A 79 4.789 8.665 -1.313 1.00 0.00 H new ATOM 0 HB VAL A 79 7.567 7.894 -0.330 1.00 0.00 H new ATOM 0 HG11 VAL A 79 6.583 5.651 -0.043 1.00 0.00 H new ATOM 0 HG12 VAL A 79 5.764 6.870 0.962 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.996 6.289 -0.535 1.00 0.00 H new ATOM 0 HG21 VAL A 79 7.601 6.287 -2.208 1.00 0.00 H new ATOM 0 HG22 VAL A 79 6.068 6.963 -2.806 1.00 0.00 H new ATOM 0 HG23 VAL A 79 7.534 7.971 -2.778 1.00 0.00 H new ATOM 1291 N ASN A 80 4.446 9.105 1.144 1.00 0.00 N ATOM 1292 CA ASN A 80 4.047 9.659 2.442 1.00 0.00 C ATOM 1293 C ASN A 80 4.623 8.853 3.613 1.00 0.00 C ATOM 1294 O ASN A 80 4.237 9.064 4.763 1.00 0.00 O ATOM 1295 CB ASN A 80 2.513 9.692 2.538 1.00 0.00 C ATOM 1296 CG ASN A 80 1.873 10.421 1.367 1.00 0.00 C ATOM 1297 OD1 ASN A 80 1.548 9.687 0.313 1.00 0.00 O flip ATOM 1298 ND2 ASN A 80 1.678 11.637 1.409 1.00 0.00 N flip ATOM 0 H ASN A 80 3.790 8.423 0.765 1.00 0.00 H new ATOM 0 HA ASN A 80 4.449 10.670 2.510 1.00 0.00 H new ATOM 0 HB2 ASN A 80 2.132 8.671 2.579 1.00 0.00 H new ATOM 0 HB3 ASN A 80 2.221 10.178 3.469 1.00 0.00 H new ATOM 0 HD21 ASN A 80 1.942 12.168 2.239 1.00 0.00 H new ATOM 0 HD22 ASN A 80 1.252 12.113 0.614 1.00 0.00 H new ATOM 1305 N LEU A 81 5.558 7.948 3.319 1.00 0.00 N ATOM 1306 CA LEU A 81 6.122 7.039 4.326 1.00 0.00 C ATOM 1307 C LEU A 81 6.789 7.797 5.486 1.00 0.00 C ATOM 1308 O LEU A 81 7.394 8.855 5.289 1.00 0.00 O ATOM 1309 CB LEU A 81 7.118 6.073 3.661 1.00 0.00 C ATOM 1310 CG LEU A 81 8.009 5.252 4.609 1.00 0.00 C ATOM 1311 CD1 LEU A 81 7.181 4.215 5.359 1.00 0.00 C ATOM 1312 CD2 LEU A 81 9.148 4.583 3.840 1.00 0.00 C ATOM 0 H LEU A 81 5.945 7.822 2.384 1.00 0.00 H new ATOM 0 HA LEU A 81 5.299 6.468 4.755 1.00 0.00 H new ATOM 0 HB2 LEU A 81 6.556 5.380 3.034 1.00 0.00 H new ATOM 0 HB3 LEU A 81 7.764 6.650 2.999 1.00 0.00 H new ATOM 0 HG LEU A 81 8.448 5.932 5.339 1.00 0.00 H new ATOM 0 HD11 LEU A 81 7.829 3.644 6.024 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.412 4.718 5.945 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.710 3.540 4.645 1.00 0.00 H new ATOM 0 HD21 LEU A 81 9.765 4.008 4.531 1.00 0.00 H new ATOM 0 HD22 LEU A 81 8.734 3.917 3.083 1.00 0.00 H new ATOM 0 HD23 LEU A 81 9.759 5.346 3.357 1.00 0.00 H new ATOM 1324 N ASP A 82 6.666 7.218 6.686 1.00 0.00 N ATOM 1325 CA ASP A 82 7.188 7.801 7.931 1.00 0.00 C ATOM 1326 C ASP A 82 8.687 8.104 7.854 1.00 0.00 C ATOM 1327 O ASP A 82 9.458 7.356 7.246 1.00 0.00 O ATOM 1328 CB ASP A 82 6.910 6.847 9.103 1.00 0.00 C ATOM 1329 CG ASP A 82 7.679 7.216 10.365 1.00 0.00 C ATOM 1330 OD1 ASP A 82 7.341 8.232 10.999 1.00 0.00 O ATOM 1331 OD2 ASP A 82 8.636 6.492 10.719 1.00 0.00 O ATOM 0 H ASP A 82 6.197 6.323 6.823 1.00 0.00 H new ATOM 0 HA ASP A 82 6.675 8.750 8.086 1.00 0.00 H new ATOM 0 HB2 ASP A 82 5.842 6.849 9.321 1.00 0.00 H new ATOM 0 HB3 ASP A 82 7.173 5.831 8.808 1.00 0.00 H new ATOM 1336 N PHE A 83 9.090 9.190 8.518 1.00 0.00 N ATOM 1337 CA PHE A 83 10.469 9.673 8.478 1.00 0.00 C ATOM 1338 C PHE A 83 11.432 8.703 9.169 1.00 0.00 C ATOM 1339 O PHE A 83 12.524 8.433 8.660 1.00 0.00 O ATOM 1340 CB PHE A 83 10.568 11.073 9.114 1.00 0.00 C ATOM 1341 CG PHE A 83 10.109 11.140 10.555 1.00 0.00 C ATOM 1342 CD1 PHE A 83 8.765 11.310 10.865 1.00 0.00 C ATOM 1343 CD2 PHE A 83 11.021 11.039 11.598 1.00 0.00 C ATOM 1344 CE1 PHE A 83 8.344 11.375 12.180 1.00 0.00 C ATOM 1345 CE2 PHE A 83 10.603 11.103 12.914 1.00 0.00 C ATOM 1346 CZ PHE A 83 9.264 11.271 13.205 1.00 0.00 C ATOM 0 H PHE A 83 8.470 9.757 9.097 1.00 0.00 H new ATOM 0 HA PHE A 83 10.763 9.738 7.430 1.00 0.00 H new ATOM 0 HB2 PHE A 83 11.603 11.411 9.059 1.00 0.00 H new ATOM 0 HB3 PHE A 83 9.973 11.770 8.523 1.00 0.00 H new ATOM 0 HD1 PHE A 83 8.040 11.392 10.068 1.00 0.00 H new ATOM 0 HD2 PHE A 83 12.070 10.909 11.378 1.00 0.00 H new ATOM 0 HE1 PHE A 83 7.296 11.507 12.406 1.00 0.00 H new ATOM 0 HE2 PHE A 83 11.324 11.022 13.714 1.00 0.00 H new ATOM 0 HZ PHE A 83 8.936 11.321 14.233 1.00 0.00 H new ATOM 1356 N HIS A 84 11.027 8.169 10.322 1.00 0.00 N ATOM 1357 CA HIS A 84 11.889 7.266 11.088 1.00 0.00 C ATOM 1358 C HIS A 84 12.058 5.943 10.351 1.00 0.00 C ATOM 1359 O HIS A 84 13.089 5.280 10.470 1.00 0.00 O ATOM 1360 CB HIS A 84 11.332 7.030 12.499 1.00 0.00 C ATOM 1361 CG HIS A 84 12.092 5.998 13.285 1.00 0.00 C ATOM 1362 ND1 HIS A 84 13.426 6.126 13.614 1.00 0.00 N ATOM 1363 CD2 HIS A 84 11.698 4.804 13.793 1.00 0.00 C ATOM 1364 CE1 HIS A 84 13.816 5.061 14.289 1.00 0.00 C ATOM 1365 NE2 HIS A 84 12.787 4.244 14.410 1.00 0.00 N ATOM 0 H HIS A 84 10.115 8.344 10.744 1.00 0.00 H new ATOM 0 HA HIS A 84 12.866 7.737 11.190 1.00 0.00 H new ATOM 0 HB2 HIS A 84 11.344 7.972 13.047 1.00 0.00 H new ATOM 0 HB3 HIS A 84 10.290 6.720 12.421 1.00 0.00 H new ATOM 0 HD1 HIS A 84 14.019 6.920 13.373 1.00 0.00 H new ATOM 0 HD2 HIS A 84 10.710 4.374 13.724 1.00 0.00 H new ATOM 0 HE1 HIS A 84 14.809 4.888 14.677 1.00 0.00 H new ATOM 1374 N THR A 85 11.046 5.567 9.581 1.00 0.00 N ATOM 1375 CA THR A 85 11.116 4.362 8.770 1.00 0.00 C ATOM 1376 C THR A 85 12.159 4.540 7.667 1.00 0.00 C ATOM 1377 O THR A 85 12.998 3.666 7.443 1.00 0.00 O ATOM 1378 CB THR A 85 9.748 4.028 8.147 1.00 0.00 C ATOM 1379 OG1 THR A 85 8.739 4.047 9.165 1.00 0.00 O ATOM 1380 CG2 THR A 85 9.770 2.656 7.476 1.00 0.00 C ATOM 0 H THR A 85 10.168 6.080 9.502 1.00 0.00 H new ATOM 0 HA THR A 85 11.405 3.534 9.417 1.00 0.00 H new ATOM 0 HB THR A 85 9.525 4.778 7.388 1.00 0.00 H new ATOM 0 HG1 THR A 85 8.793 4.889 9.663 1.00 0.00 H new ATOM 0 HG21 THR A 85 8.791 2.446 7.045 1.00 0.00 H new ATOM 0 HG22 THR A 85 10.523 2.648 6.688 1.00 0.00 H new ATOM 0 HG23 THR A 85 10.012 1.893 8.216 1.00 0.00 H new ATOM 1388 N LYS A 86 12.109 5.697 7.001 1.00 0.00 N ATOM 1389 CA LYS A 86 13.105 6.051 5.990 1.00 0.00 C ATOM 1390 C LYS A 86 14.498 6.002 6.616 1.00 0.00 C ATOM 1391 O LYS A 86 15.455 5.536 5.999 1.00 0.00 O ATOM 1392 CB LYS A 86 12.820 7.457 5.430 1.00 0.00 C ATOM 1393 CG LYS A 86 11.413 7.622 4.857 1.00 0.00 C ATOM 1394 CD LYS A 86 11.063 9.088 4.593 1.00 0.00 C ATOM 1395 CE LYS A 86 11.763 9.648 3.357 1.00 0.00 C ATOM 1396 NZ LYS A 86 11.247 9.038 2.099 1.00 0.00 N ATOM 0 H LYS A 86 11.388 6.404 7.145 1.00 0.00 H new ATOM 0 HA LYS A 86 13.054 5.338 5.167 1.00 0.00 H new ATOM 0 HB2 LYS A 86 12.967 8.190 6.223 1.00 0.00 H new ATOM 0 HB3 LYS A 86 13.548 7.681 4.650 1.00 0.00 H new ATOM 0 HG2 LYS A 86 11.333 7.058 3.927 1.00 0.00 H new ATOM 0 HG3 LYS A 86 10.688 7.197 5.551 1.00 0.00 H new ATOM 0 HD2 LYS A 86 9.984 9.183 4.469 1.00 0.00 H new ATOM 0 HD3 LYS A 86 11.337 9.685 5.463 1.00 0.00 H new ATOM 0 HE2 LYS A 86 11.624 10.728 3.320 1.00 0.00 H new ATOM 0 HE3 LYS A 86 12.835 9.467 3.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 11.358 9.713 1.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 11.782 8.172 1.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 10.240 8.804 2.214 1.00 0.00 H new ATOM 1410 N GLU A 87 14.580 6.465 7.864 1.00 0.00 N ATOM 1411 CA GLU A 87 15.820 6.450 8.639 1.00 0.00 C ATOM 1412 C GLU A 87 16.357 5.020 8.770 1.00 0.00 C ATOM 1413 O GLU A 87 17.512 4.740 8.433 1.00 0.00 O ATOM 1414 CB GLU A 87 15.565 7.041 10.033 1.00 0.00 C ATOM 1415 CG GLU A 87 16.801 7.123 10.923 1.00 0.00 C ATOM 1416 CD GLU A 87 16.464 7.450 12.373 1.00 0.00 C ATOM 1417 OE1 GLU A 87 15.397 8.055 12.629 1.00 0.00 O ATOM 1418 OE2 GLU A 87 17.259 7.090 13.266 1.00 0.00 O ATOM 0 H GLU A 87 13.786 6.862 8.367 1.00 0.00 H new ATOM 0 HA GLU A 87 16.565 7.053 8.119 1.00 0.00 H new ATOM 0 HB2 GLU A 87 15.149 8.042 9.918 1.00 0.00 H new ATOM 0 HB3 GLU A 87 14.810 6.437 10.537 1.00 0.00 H new ATOM 0 HG2 GLU A 87 17.335 6.173 10.884 1.00 0.00 H new ATOM 0 HG3 GLU A 87 17.476 7.884 10.531 1.00 0.00 H new ATOM 1425 N VAL A 88 15.510 4.117 9.254 1.00 0.00 N ATOM 1426 CA VAL A 88 15.893 2.715 9.418 1.00 0.00 C ATOM 1427 C VAL A 88 16.401 2.145 8.093 1.00 0.00 C ATOM 1428 O VAL A 88 17.425 1.459 8.046 1.00 0.00 O ATOM 1429 CB VAL A 88 14.706 1.857 9.932 1.00 0.00 C ATOM 1430 CG1 VAL A 88 15.103 0.385 10.061 1.00 0.00 C ATOM 1431 CG2 VAL A 88 14.192 2.395 11.268 1.00 0.00 C ATOM 0 H VAL A 88 14.554 4.329 9.540 1.00 0.00 H new ATOM 0 HA VAL A 88 16.690 2.677 10.161 1.00 0.00 H new ATOM 0 HB VAL A 88 13.902 1.924 9.199 1.00 0.00 H new ATOM 0 HG11 VAL A 88 14.251 -0.191 10.423 1.00 0.00 H new ATOM 0 HG12 VAL A 88 15.411 0.004 9.087 1.00 0.00 H new ATOM 0 HG13 VAL A 88 15.930 0.292 10.765 1.00 0.00 H new ATOM 0 HG21 VAL A 88 13.360 1.780 11.612 1.00 0.00 H new ATOM 0 HG22 VAL A 88 14.994 2.365 12.005 1.00 0.00 H new ATOM 0 HG23 VAL A 88 13.855 3.424 11.140 1.00 0.00 H new ATOM 1441 N ILE A 89 15.695 2.470 7.015 1.00 0.00 N ATOM 1442 CA ILE A 89 16.051 1.990 5.684 1.00 0.00 C ATOM 1443 C ILE A 89 17.402 2.558 5.236 1.00 0.00 C ATOM 1444 O ILE A 89 18.232 1.830 4.696 1.00 0.00 O ATOM 1445 CB ILE A 89 14.952 2.341 4.647 1.00 0.00 C ATOM 1446 CG1 ILE A 89 13.612 1.712 5.070 1.00 0.00 C ATOM 1447 CG2 ILE A 89 15.355 1.872 3.247 1.00 0.00 C ATOM 1448 CD1 ILE A 89 12.447 2.074 4.174 1.00 0.00 C ATOM 0 H ILE A 89 14.868 3.067 7.038 1.00 0.00 H new ATOM 0 HA ILE A 89 16.134 0.905 5.741 1.00 0.00 H new ATOM 0 HB ILE A 89 14.835 3.424 4.614 1.00 0.00 H new ATOM 0 HG12 ILE A 89 13.721 0.628 5.085 1.00 0.00 H new ATOM 0 HG13 ILE A 89 13.383 2.024 6.089 1.00 0.00 H new ATOM 0 HG21 ILE A 89 14.569 2.129 2.537 1.00 0.00 H new ATOM 0 HG22 ILE A 89 16.284 2.361 2.953 1.00 0.00 H new ATOM 0 HG23 ILE A 89 15.500 0.792 3.253 1.00 0.00 H new ATOM 0 HD11 ILE A 89 11.542 1.591 4.541 1.00 0.00 H new ATOM 0 HD12 ILE A 89 12.308 3.155 4.177 1.00 0.00 H new ATOM 0 HD13 ILE A 89 12.651 1.737 3.158 1.00 0.00 H new ATOM 1460 N THR A 90 17.636 3.848 5.489 1.00 0.00 N ATOM 1461 CA THR A 90 18.896 4.486 5.099 1.00 0.00 C ATOM 1462 C THR A 90 20.080 3.873 5.855 1.00 0.00 C ATOM 1463 O THR A 90 21.235 4.023 5.452 1.00 0.00 O ATOM 1464 CB THR A 90 18.866 6.021 5.323 1.00 0.00 C ATOM 1465 OG1 THR A 90 18.504 6.327 6.676 1.00 0.00 O ATOM 1466 CG2 THR A 90 17.886 6.704 4.370 1.00 0.00 C ATOM 0 H THR A 90 16.975 4.467 5.958 1.00 0.00 H new ATOM 0 HA THR A 90 19.022 4.304 4.032 1.00 0.00 H new ATOM 0 HB THR A 90 19.869 6.398 5.122 1.00 0.00 H new ATOM 0 HG1 THR A 90 18.504 5.504 7.209 1.00 0.00 H new ATOM 0 HG21 THR A 90 17.889 7.778 4.553 1.00 0.00 H new ATOM 0 HG22 THR A 90 18.186 6.511 3.340 1.00 0.00 H new ATOM 0 HG23 THR A 90 16.883 6.311 4.536 1.00 0.00 H new ATOM 1474 N ASN A 91 19.788 3.187 6.960 1.00 0.00 N ATOM 1475 CA ASN A 91 20.817 2.454 7.704 1.00 0.00 C ATOM 1476 C ASN A 91 20.956 1.031 7.167 1.00 0.00 C ATOM 1477 O ASN A 91 22.069 0.523 7.004 1.00 0.00 O ATOM 1478 CB ASN A 91 20.499 2.412 9.210 1.00 0.00 C ATOM 1479 CG ASN A 91 20.739 3.743 9.905 1.00 0.00 C ATOM 1480 OD1 ASN A 91 21.852 4.034 10.348 1.00 0.00 O ATOM 1481 ND2 ASN A 91 19.700 4.550 10.028 1.00 0.00 N ATOM 0 H ASN A 91 18.852 3.122 7.360 1.00 0.00 H new ATOM 0 HA ASN A 91 21.760 2.984 7.567 1.00 0.00 H new ATOM 0 HB2 ASN A 91 19.458 2.119 9.348 1.00 0.00 H new ATOM 0 HB3 ASN A 91 21.112 1.645 9.684 1.00 0.00 H new ATOM 0 HD21 ASN A 91 19.804 5.447 10.502 1.00 0.00 H new ATOM 0 HD22 ASN A 91 18.794 4.276 9.649 1.00 0.00 H new ATOM 1488 N SER A 92 19.822 0.400 6.873 1.00 0.00 N ATOM 1489 CA SER A 92 19.797 -1.002 6.458 1.00 0.00 C ATOM 1490 C SER A 92 19.971 -1.144 4.943 1.00 0.00 C ATOM 1491 O SER A 92 19.976 -2.258 4.422 1.00 0.00 O ATOM 1492 CB SER A 92 18.479 -1.657 6.907 1.00 0.00 C ATOM 1493 OG SER A 92 18.480 -3.057 6.660 1.00 0.00 O ATOM 0 H SER A 92 18.903 0.840 6.915 1.00 0.00 H new ATOM 0 HA SER A 92 20.635 -1.510 6.935 1.00 0.00 H new ATOM 0 HB2 SER A 92 18.325 -1.475 7.971 1.00 0.00 H new ATOM 0 HB3 SER A 92 17.644 -1.195 6.380 1.00 0.00 H new ATOM 0 HG SER A 92 18.949 -3.241 5.819 1.00 0.00 H new ATOM 1499 N ILE A 93 20.126 -0.019 4.245 1.00 0.00 N ATOM 1500 CA ILE A 93 20.285 -0.026 2.787 1.00 0.00 C ATOM 1501 C ILE A 93 21.483 -0.887 2.365 1.00 0.00 C ATOM 1502 O ILE A 93 21.491 -1.474 1.282 1.00 0.00 O ATOM 1503 CB ILE A 93 20.450 1.418 2.231 1.00 0.00 C ATOM 1504 CG1 ILE A 93 20.501 1.415 0.689 1.00 0.00 C ATOM 1505 CG2 ILE A 93 21.697 2.085 2.813 1.00 0.00 C ATOM 1506 CD1 ILE A 93 19.250 0.865 0.030 1.00 0.00 C ATOM 0 H ILE A 93 20.145 0.911 4.664 1.00 0.00 H new ATOM 0 HA ILE A 93 19.378 -0.459 2.365 1.00 0.00 H new ATOM 0 HB ILE A 93 19.579 1.997 2.538 1.00 0.00 H new ATOM 0 HG12 ILE A 93 20.665 2.434 0.339 1.00 0.00 H new ATOM 0 HG13 ILE A 93 21.359 0.825 0.365 1.00 0.00 H new ATOM 0 HG21 ILE A 93 21.792 3.093 2.410 1.00 0.00 H new ATOM 0 HG22 ILE A 93 21.610 2.135 3.898 1.00 0.00 H new ATOM 0 HG23 ILE A 93 22.579 1.503 2.546 1.00 0.00 H new ATOM 0 HD11 ILE A 93 19.365 0.897 -1.053 1.00 0.00 H new ATOM 0 HD12 ILE A 93 19.095 -0.166 0.348 1.00 0.00 H new ATOM 0 HD13 ILE A 93 18.390 1.468 0.321 1.00 0.00 H new ATOM 1518 N THR A 94 22.481 -0.972 3.241 1.00 0.00 N ATOM 1519 CA THR A 94 23.676 -1.766 2.977 1.00 0.00 C ATOM 1520 C THR A 94 23.344 -3.264 2.965 1.00 0.00 C ATOM 1521 O THR A 94 23.921 -4.035 2.193 1.00 0.00 O ATOM 1522 CB THR A 94 24.784 -1.474 4.023 1.00 0.00 C ATOM 1523 OG1 THR A 94 25.978 -2.202 3.707 1.00 0.00 O ATOM 1524 CG2 THR A 94 24.327 -1.830 5.436 1.00 0.00 C ATOM 0 H THR A 94 22.484 -0.498 4.144 1.00 0.00 H new ATOM 0 HA THR A 94 24.049 -1.483 1.993 1.00 0.00 H new ATOM 0 HB THR A 94 24.992 -0.405 3.988 1.00 0.00 H new ATOM 0 HG1 THR A 94 26.667 -2.006 4.375 1.00 0.00 H new ATOM 0 HG21 THR A 94 25.128 -1.613 6.143 1.00 0.00 H new ATOM 0 HG22 THR A 94 23.446 -1.241 5.693 1.00 0.00 H new ATOM 0 HG23 THR A 94 24.080 -2.891 5.482 1.00 0.00 H new ATOM 1532 N GLN A 95 22.386 -3.665 3.805 1.00 0.00 N ATOM 1533 CA GLN A 95 21.993 -5.069 3.932 1.00 0.00 C ATOM 1534 C GLN A 95 20.474 -5.203 4.055 1.00 0.00 C ATOM 1535 O GLN A 95 19.933 -5.312 5.159 1.00 0.00 O ATOM 1536 CB GLN A 95 22.685 -5.727 5.141 1.00 0.00 C ATOM 1537 CG GLN A 95 24.161 -6.038 4.914 1.00 0.00 C ATOM 1538 CD GLN A 95 24.376 -7.023 3.774 1.00 0.00 C ATOM 1539 OE1 GLN A 95 23.528 -7.873 3.504 1.00 0.00 O ATOM 1540 NE2 GLN A 95 25.503 -6.910 3.090 1.00 0.00 N ATOM 0 H GLN A 95 21.865 -3.031 4.411 1.00 0.00 H new ATOM 0 HA GLN A 95 22.313 -5.586 3.027 1.00 0.00 H new ATOM 0 HB2 GLN A 95 22.591 -5.068 6.004 1.00 0.00 H new ATOM 0 HB3 GLN A 95 22.163 -6.651 5.388 1.00 0.00 H new ATOM 0 HG2 GLN A 95 24.696 -5.113 4.697 1.00 0.00 H new ATOM 0 HG3 GLN A 95 24.589 -6.447 5.830 1.00 0.00 H new ATOM 0 HE21 GLN A 95 26.183 -6.193 3.343 1.00 0.00 H new ATOM 0 HE22 GLN A 95 25.692 -7.540 2.310 1.00 0.00 H new ATOM 1549 N PRO A 96 19.761 -5.138 2.917 1.00 0.00 N ATOM 1550 CA PRO A 96 18.320 -5.370 2.875 1.00 0.00 C ATOM 1551 C PRO A 96 17.988 -6.859 2.741 1.00 0.00 C ATOM 1552 O PRO A 96 18.596 -7.572 1.938 1.00 0.00 O ATOM 1553 CB PRO A 96 17.894 -4.592 1.628 1.00 0.00 C ATOM 1554 CG PRO A 96 19.068 -4.686 0.707 1.00 0.00 C ATOM 1555 CD PRO A 96 20.298 -4.800 1.582 1.00 0.00 C ATOM 0 HA PRO A 96 17.809 -5.053 3.784 1.00 0.00 H new ATOM 0 HB2 PRO A 96 17.001 -5.024 1.177 1.00 0.00 H new ATOM 0 HB3 PRO A 96 17.660 -3.555 1.868 1.00 0.00 H new ATOM 0 HG2 PRO A 96 18.978 -5.552 0.052 1.00 0.00 H new ATOM 0 HG3 PRO A 96 19.129 -3.806 0.066 1.00 0.00 H new ATOM 0 HD2 PRO A 96 20.976 -5.572 1.218 1.00 0.00 H new ATOM 0 HD3 PRO A 96 20.860 -3.866 1.603 1.00 0.00 H new ATOM 1563 N THR A 97 17.047 -7.326 3.550 1.00 0.00 N ATOM 1564 CA THR A 97 16.581 -8.704 3.483 1.00 0.00 C ATOM 1565 C THR A 97 15.517 -8.864 2.391 1.00 0.00 C ATOM 1566 O THR A 97 15.108 -7.881 1.768 1.00 0.00 O ATOM 1567 CB THR A 97 16.025 -9.164 4.854 1.00 0.00 C ATOM 1568 OG1 THR A 97 15.194 -8.137 5.418 1.00 0.00 O ATOM 1569 CG2 THR A 97 17.156 -9.496 5.826 1.00 0.00 C ATOM 0 H THR A 97 16.588 -6.764 4.267 1.00 0.00 H new ATOM 0 HA THR A 97 17.432 -9.337 3.229 1.00 0.00 H new ATOM 0 HB THR A 97 15.434 -10.065 4.691 1.00 0.00 H new ATOM 0 HG1 THR A 97 14.845 -8.437 6.283 1.00 0.00 H new ATOM 0 HG21 THR A 97 16.735 -9.816 6.779 1.00 0.00 H new ATOM 0 HG22 THR A 97 17.768 -10.298 5.412 1.00 0.00 H new ATOM 0 HG23 THR A 97 17.774 -8.612 5.981 1.00 0.00 H new ATOM 1577 N LEU A 98 15.066 -10.105 2.178 1.00 0.00 N ATOM 1578 CA LEU A 98 14.127 -10.429 1.098 1.00 0.00 C ATOM 1579 C LEU A 98 12.903 -9.518 1.138 1.00 0.00 C ATOM 1580 O LEU A 98 12.476 -8.986 0.117 1.00 0.00 O ATOM 1581 CB LEU A 98 13.668 -11.899 1.187 1.00 0.00 C ATOM 1582 CG LEU A 98 14.717 -12.976 0.841 1.00 0.00 C ATOM 1583 CD1 LEU A 98 15.306 -12.740 -0.549 1.00 0.00 C ATOM 1584 CD2 LEU A 98 15.822 -13.044 1.896 1.00 0.00 C ATOM 0 H LEU A 98 15.339 -10.908 2.745 1.00 0.00 H new ATOM 0 HA LEU A 98 14.654 -10.274 0.157 1.00 0.00 H new ATOM 0 HB2 LEU A 98 13.313 -12.084 2.201 1.00 0.00 H new ATOM 0 HB3 LEU A 98 12.815 -12.030 0.522 1.00 0.00 H new ATOM 0 HG LEU A 98 14.207 -13.939 0.836 1.00 0.00 H new ATOM 0 HD11 LEU A 98 16.043 -13.513 -0.768 1.00 0.00 H new ATOM 0 HD12 LEU A 98 14.510 -12.776 -1.293 1.00 0.00 H new ATOM 0 HD13 LEU A 98 15.786 -11.762 -0.579 1.00 0.00 H new ATOM 0 HD21 LEU A 98 16.543 -13.813 1.619 1.00 0.00 H new ATOM 0 HD22 LEU A 98 16.326 -12.080 1.957 1.00 0.00 H new ATOM 0 HD23 LEU A 98 15.386 -13.287 2.865 1.00 0.00 H new ATOM 1596 N HIS A 99 12.348 -9.340 2.328 1.00 0.00 N ATOM 1597 CA HIS A 99 11.131 -8.555 2.504 1.00 0.00 C ATOM 1598 C HIS A 99 11.425 -7.335 3.375 1.00 0.00 C ATOM 1599 O HIS A 99 10.550 -6.851 4.092 1.00 0.00 O ATOM 1600 CB HIS A 99 10.038 -9.429 3.147 1.00 0.00 C ATOM 1601 CG HIS A 99 8.646 -9.095 2.695 1.00 0.00 C ATOM 1602 ND1 HIS A 99 7.989 -7.935 3.048 1.00 0.00 N ATOM 1603 CD2 HIS A 99 7.799 -9.773 1.885 1.00 0.00 C ATOM 1604 CE1 HIS A 99 6.797 -7.918 2.475 1.00 0.00 C ATOM 1605 NE2 HIS A 99 6.660 -9.021 1.765 1.00 0.00 N ATOM 0 H HIS A 99 12.723 -9.731 3.192 1.00 0.00 H new ATOM 0 HA HIS A 99 10.776 -8.211 1.533 1.00 0.00 H new ATOM 0 HB2 HIS A 99 10.242 -10.475 2.918 1.00 0.00 H new ATOM 0 HB3 HIS A 99 10.093 -9.323 4.230 1.00 0.00 H new ATOM 0 HD2 HIS A 99 7.986 -10.729 1.420 1.00 0.00 H new ATOM 0 HE1 HIS A 99 6.061 -7.134 2.572 1.00 0.00 H new ATOM 0 HE2 HIS A 99 5.839 -9.273 1.215 1.00 0.00 H new ATOM 1614 N SER A 100 12.656 -6.828 3.263 1.00 0.00 N ATOM 1615 CA SER A 100 13.173 -5.757 4.126 1.00 0.00 C ATOM 1616 C SER A 100 12.175 -4.603 4.300 1.00 0.00 C ATOM 1617 O SER A 100 12.007 -4.079 5.405 1.00 0.00 O ATOM 1618 CB SER A 100 14.493 -5.226 3.550 1.00 0.00 C ATOM 1619 OG SER A 100 15.128 -4.328 4.444 1.00 0.00 O ATOM 0 H SER A 100 13.328 -7.150 2.567 1.00 0.00 H new ATOM 0 HA SER A 100 13.338 -6.186 5.114 1.00 0.00 H new ATOM 0 HB2 SER A 100 15.160 -6.061 3.337 1.00 0.00 H new ATOM 0 HB3 SER A 100 14.301 -4.722 2.603 1.00 0.00 H new ATOM 0 HG SER A 100 15.877 -3.889 3.990 1.00 0.00 H new ATOM 1625 N PHE A 101 11.486 -4.231 3.222 1.00 0.00 N ATOM 1626 CA PHE A 101 10.551 -3.102 3.252 1.00 0.00 C ATOM 1627 C PHE A 101 9.235 -3.464 3.953 1.00 0.00 C ATOM 1628 O PHE A 101 8.243 -2.748 3.829 1.00 0.00 O ATOM 1629 CB PHE A 101 10.275 -2.601 1.827 1.00 0.00 C ATOM 1630 CG PHE A 101 11.493 -2.037 1.135 1.00 0.00 C ATOM 1631 CD1 PHE A 101 11.963 -0.769 1.453 1.00 0.00 C ATOM 1632 CD2 PHE A 101 12.168 -2.769 0.169 1.00 0.00 C ATOM 1633 CE1 PHE A 101 13.077 -0.248 0.824 1.00 0.00 C ATOM 1634 CE2 PHE A 101 13.284 -2.250 -0.464 1.00 0.00 C ATOM 1635 CZ PHE A 101 13.738 -0.989 -0.136 1.00 0.00 C ATOM 0 H PHE A 101 11.556 -4.694 2.316 1.00 0.00 H new ATOM 0 HA PHE A 101 11.020 -2.305 3.829 1.00 0.00 H new ATOM 0 HB2 PHE A 101 9.879 -3.424 1.232 1.00 0.00 H new ATOM 0 HB3 PHE A 101 9.502 -1.834 1.865 1.00 0.00 H new ATOM 0 HD1 PHE A 101 11.451 -0.183 2.202 1.00 0.00 H new ATOM 0 HD2 PHE A 101 11.818 -3.757 -0.092 1.00 0.00 H new ATOM 0 HE1 PHE A 101 13.431 0.739 1.083 1.00 0.00 H new ATOM 0 HE2 PHE A 101 13.799 -2.832 -1.214 1.00 0.00 H new ATOM 0 HZ PHE A 101 14.609 -0.582 -0.629 1.00 0.00 H new ATOM 1645 N ASP A 102 9.242 -4.563 4.708 1.00 0.00 N ATOM 1646 CA ASP A 102 8.064 -5.008 5.453 1.00 0.00 C ATOM 1647 C ASP A 102 7.599 -3.928 6.427 1.00 0.00 C ATOM 1648 O ASP A 102 6.414 -3.601 6.495 1.00 0.00 O ATOM 1649 CB ASP A 102 8.381 -6.300 6.218 1.00 0.00 C ATOM 1650 CG ASP A 102 7.197 -6.812 7.021 1.00 0.00 C ATOM 1651 OD1 ASP A 102 6.357 -7.538 6.451 1.00 0.00 O ATOM 1652 OD2 ASP A 102 7.104 -6.499 8.228 1.00 0.00 O ATOM 0 H ASP A 102 10.057 -5.166 4.820 1.00 0.00 H new ATOM 0 HA ASP A 102 7.261 -5.200 4.741 1.00 0.00 H new ATOM 0 HB2 ASP A 102 8.695 -7.068 5.511 1.00 0.00 H new ATOM 0 HB3 ASP A 102 9.221 -6.123 6.890 1.00 0.00 H new ATOM 1657 N ALA A 103 8.552 -3.370 7.169 1.00 0.00 N ATOM 1658 CA ALA A 103 8.261 -2.303 8.121 1.00 0.00 C ATOM 1659 C ALA A 103 7.631 -1.110 7.407 1.00 0.00 C ATOM 1660 O ALA A 103 6.655 -0.524 7.881 1.00 0.00 O ATOM 1661 CB ALA A 103 9.534 -1.885 8.851 1.00 0.00 C ATOM 0 H ALA A 103 9.535 -3.640 7.129 1.00 0.00 H new ATOM 0 HA ALA A 103 7.549 -2.675 8.857 1.00 0.00 H new ATOM 0 HB1 ALA A 103 9.303 -1.088 9.558 1.00 0.00 H new ATOM 0 HB2 ALA A 103 9.943 -2.740 9.389 1.00 0.00 H new ATOM 0 HB3 ALA A 103 10.267 -1.527 8.128 1.00 0.00 H new ATOM 1667 N ALA A 104 8.190 -0.777 6.246 1.00 0.00 N ATOM 1668 CA ALA A 104 7.698 0.332 5.439 1.00 0.00 C ATOM 1669 C ALA A 104 6.286 0.046 4.935 1.00 0.00 C ATOM 1670 O ALA A 104 5.450 0.949 4.861 1.00 0.00 O ATOM 1671 CB ALA A 104 8.647 0.593 4.274 1.00 0.00 C ATOM 0 H ALA A 104 8.990 -1.265 5.842 1.00 0.00 H new ATOM 0 HA ALA A 104 7.658 1.226 6.061 1.00 0.00 H new ATOM 0 HB1 ALA A 104 8.270 1.424 3.677 1.00 0.00 H new ATOM 0 HB2 ALA A 104 9.636 0.842 4.659 1.00 0.00 H new ATOM 0 HB3 ALA A 104 8.714 -0.300 3.652 1.00 0.00 H new ATOM 1677 N GLN A 105 6.031 -1.221 4.604 1.00 0.00 N ATOM 1678 CA GLN A 105 4.711 -1.662 4.160 1.00 0.00 C ATOM 1679 C GLN A 105 3.679 -1.334 5.234 1.00 0.00 C ATOM 1680 O GLN A 105 2.659 -0.699 4.960 1.00 0.00 O ATOM 1681 CB GLN A 105 4.729 -3.179 3.861 1.00 0.00 C ATOM 1682 CG GLN A 105 3.470 -3.719 3.170 1.00 0.00 C ATOM 1683 CD GLN A 105 2.249 -3.834 4.077 1.00 0.00 C ATOM 1684 OE1 GLN A 105 2.461 -4.178 5.338 1.00 0.00 O flip ATOM 1685 NE2 GLN A 105 1.118 -3.652 3.631 1.00 0.00 N flip ATOM 0 H GLN A 105 6.729 -1.964 4.636 1.00 0.00 H new ATOM 0 HA GLN A 105 4.442 -1.139 3.242 1.00 0.00 H new ATOM 0 HB2 GLN A 105 5.593 -3.400 3.234 1.00 0.00 H new ATOM 0 HB3 GLN A 105 4.870 -3.717 4.798 1.00 0.00 H new ATOM 0 HG2 GLN A 105 3.224 -3.067 2.332 1.00 0.00 H new ATOM 0 HG3 GLN A 105 3.692 -4.702 2.755 1.00 0.00 H new ATOM 0 HE21 GLN A 105 0.991 -3.388 2.654 1.00 0.00 H new ATOM 0 HE22 GLN A 105 0.306 -3.765 4.238 1.00 0.00 H new ATOM 1694 N SER A 106 3.975 -1.752 6.462 1.00 0.00 N ATOM 1695 CA SER A 106 3.094 -1.509 7.595 1.00 0.00 C ATOM 1696 C SER A 106 2.845 -0.011 7.758 1.00 0.00 C ATOM 1697 O SER A 106 1.701 0.427 7.868 1.00 0.00 O ATOM 1698 CB SER A 106 3.708 -2.096 8.875 1.00 0.00 C ATOM 1699 OG SER A 106 2.826 -1.969 9.978 1.00 0.00 O ATOM 0 H SER A 106 4.825 -2.264 6.696 1.00 0.00 H new ATOM 0 HA SER A 106 2.138 -1.999 7.411 1.00 0.00 H new ATOM 0 HB2 SER A 106 3.946 -3.148 8.717 1.00 0.00 H new ATOM 0 HB3 SER A 106 4.646 -1.587 9.097 1.00 0.00 H new ATOM 0 HG SER A 106 3.244 -2.353 10.777 1.00 0.00 H new ATOM 1705 N ARG A 107 3.927 0.769 7.736 1.00 0.00 N ATOM 1706 CA ARG A 107 3.850 2.222 7.894 1.00 0.00 C ATOM 1707 C ARG A 107 2.873 2.836 6.900 1.00 0.00 C ATOM 1708 O ARG A 107 1.935 3.533 7.289 1.00 0.00 O ATOM 1709 CB ARG A 107 5.237 2.845 7.728 1.00 0.00 C ATOM 1710 CG ARG A 107 6.219 2.451 8.824 1.00 0.00 C ATOM 1711 CD ARG A 107 5.784 2.972 10.189 1.00 0.00 C ATOM 1712 NE ARG A 107 6.787 2.703 11.219 1.00 0.00 N ATOM 1713 CZ ARG A 107 6.959 3.451 12.309 1.00 0.00 C ATOM 1714 NH1 ARG A 107 6.187 4.512 12.525 1.00 0.00 N ATOM 1715 NH2 ARG A 107 7.906 3.138 13.182 1.00 0.00 N ATOM 0 H ARG A 107 4.875 0.414 7.609 1.00 0.00 H new ATOM 0 HA ARG A 107 3.483 2.433 8.898 1.00 0.00 H new ATOM 0 HB2 ARG A 107 5.646 2.548 6.762 1.00 0.00 H new ATOM 0 HB3 ARG A 107 5.139 3.930 7.713 1.00 0.00 H new ATOM 0 HG2 ARG A 107 6.306 1.365 8.861 1.00 0.00 H new ATOM 0 HG3 ARG A 107 7.208 2.842 8.584 1.00 0.00 H new ATOM 0 HD2 ARG A 107 5.605 4.045 10.128 1.00 0.00 H new ATOM 0 HD3 ARG A 107 4.840 2.507 10.471 1.00 0.00 H new ATOM 0 HE ARG A 107 7.393 1.892 11.096 1.00 0.00 H new ATOM 0 HH11 ARG A 107 5.458 4.757 11.855 1.00 0.00 H new ATOM 0 HH12 ARG A 107 6.324 5.080 13.361 1.00 0.00 H new ATOM 0 HH21 ARG A 107 8.502 2.326 13.019 1.00 0.00 H new ATOM 0 HH22 ARG A 107 8.039 3.709 14.017 1.00 0.00 H new ATOM 1729 N VAL A 108 3.088 2.557 5.621 1.00 0.00 N ATOM 1730 CA VAL A 108 2.232 3.088 4.567 1.00 0.00 C ATOM 1731 C VAL A 108 0.789 2.623 4.762 1.00 0.00 C ATOM 1732 O VAL A 108 -0.157 3.398 4.591 1.00 0.00 O ATOM 1733 CB VAL A 108 2.745 2.665 3.172 1.00 0.00 C ATOM 1734 CG1 VAL A 108 1.801 3.145 2.076 1.00 0.00 C ATOM 1735 CG2 VAL A 108 4.159 3.196 2.938 1.00 0.00 C ATOM 0 H VAL A 108 3.849 1.965 5.288 1.00 0.00 H new ATOM 0 HA VAL A 108 2.261 4.176 4.627 1.00 0.00 H new ATOM 0 HB VAL A 108 2.776 1.576 3.137 1.00 0.00 H new ATOM 0 HG11 VAL A 108 2.184 2.835 1.104 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.813 2.712 2.231 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.730 4.232 2.108 1.00 0.00 H new ATOM 0 HG21 VAL A 108 4.504 2.889 1.951 1.00 0.00 H new ATOM 0 HG22 VAL A 108 4.154 4.284 2.998 1.00 0.00 H new ATOM 0 HG23 VAL A 108 4.829 2.794 3.698 1.00 0.00 H new ATOM 1745 N TYR A 109 0.638 1.362 5.154 1.00 0.00 N ATOM 1746 CA TYR A 109 -0.672 0.773 5.411 1.00 0.00 C ATOM 1747 C TYR A 109 -1.439 1.571 6.475 1.00 0.00 C ATOM 1748 O TYR A 109 -2.642 1.803 6.335 1.00 0.00 O ATOM 1749 CB TYR A 109 -0.503 -0.701 5.824 1.00 0.00 C ATOM 1750 CG TYR A 109 -1.745 -1.346 6.421 1.00 0.00 C ATOM 1751 CD1 TYR A 109 -1.996 -1.287 7.790 1.00 0.00 C ATOM 1752 CD2 TYR A 109 -2.663 -2.019 5.618 1.00 0.00 C ATOM 1753 CE1 TYR A 109 -3.121 -1.872 8.336 1.00 0.00 C ATOM 1754 CE2 TYR A 109 -3.791 -2.605 6.160 1.00 0.00 C ATOM 1755 CZ TYR A 109 -4.015 -2.529 7.520 1.00 0.00 C ATOM 1756 OH TYR A 109 -5.144 -3.101 8.066 1.00 0.00 O ATOM 0 H TYR A 109 1.418 0.721 5.302 1.00 0.00 H new ATOM 0 HA TYR A 109 -1.264 0.812 4.496 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -0.198 -1.275 4.949 1.00 0.00 H new ATOM 0 HB3 TYR A 109 0.308 -0.769 6.549 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -1.298 -0.775 8.436 1.00 0.00 H new ATOM 0 HD2 TYR A 109 -2.490 -2.084 4.554 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -3.299 -1.815 9.400 1.00 0.00 H new ATOM 0 HE2 TYR A 109 -4.494 -3.120 5.522 1.00 0.00 H new ATOM 0 HH TYR A 109 -5.587 -2.454 8.654 1.00 0.00 H new ATOM 1766 N GLN A 110 -0.737 2.003 7.527 1.00 0.00 N ATOM 1767 CA GLN A 110 -1.356 2.801 8.594 1.00 0.00 C ATOM 1768 C GLN A 110 -1.844 4.125 8.030 1.00 0.00 C ATOM 1769 O GLN A 110 -2.922 4.617 8.377 1.00 0.00 O ATOM 1770 CB GLN A 110 -0.351 3.096 9.719 1.00 0.00 C ATOM 1771 CG GLN A 110 0.469 1.896 10.142 1.00 0.00 C ATOM 1772 CD GLN A 110 1.485 2.214 11.228 1.00 0.00 C ATOM 1773 OE1 GLN A 110 2.005 3.327 11.311 1.00 0.00 O ATOM 1774 NE2 GLN A 110 1.775 1.235 12.072 1.00 0.00 N ATOM 0 H GLN A 110 0.256 1.815 7.664 1.00 0.00 H new ATOM 0 HA GLN A 110 -2.189 2.226 8.998 1.00 0.00 H new ATOM 0 HB2 GLN A 110 0.324 3.887 9.391 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -0.892 3.477 10.585 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -0.201 1.114 10.499 1.00 0.00 H new ATOM 0 HG3 GLN A 110 0.990 1.496 9.272 1.00 0.00 H new ATOM 0 HE21 GLN A 110 1.324 0.325 11.972 1.00 0.00 H new ATOM 0 HE22 GLN A 110 2.449 1.391 12.821 1.00 0.00 H new ATOM 1783 N LEU A 111 -1.027 4.683 7.146 1.00 0.00 N ATOM 1784 CA LEU A 111 -1.243 6.011 6.604 1.00 0.00 C ATOM 1785 C LEU A 111 -2.584 6.121 5.881 1.00 0.00 C ATOM 1786 O LEU A 111 -3.350 7.058 6.132 1.00 0.00 O ATOM 1787 CB LEU A 111 -0.092 6.382 5.663 1.00 0.00 C ATOM 1788 CG LEU A 111 1.299 6.413 6.313 1.00 0.00 C ATOM 1789 CD1 LEU A 111 2.371 6.726 5.275 1.00 0.00 C ATOM 1790 CD2 LEU A 111 1.339 7.422 7.459 1.00 0.00 C ATOM 0 H LEU A 111 -0.192 4.221 6.785 1.00 0.00 H new ATOM 0 HA LEU A 111 -1.269 6.713 7.437 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -0.074 5.670 4.838 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -0.297 7.363 5.233 1.00 0.00 H new ATOM 0 HG LEU A 111 1.505 5.426 6.726 1.00 0.00 H new ATOM 0 HD11 LEU A 111 3.349 6.743 5.756 1.00 0.00 H new ATOM 0 HD12 LEU A 111 2.361 5.960 4.500 1.00 0.00 H new ATOM 0 HD13 LEU A 111 2.170 7.699 4.826 1.00 0.00 H new ATOM 0 HD21 LEU A 111 2.334 7.427 7.905 1.00 0.00 H new ATOM 0 HD22 LEU A 111 1.108 8.416 7.077 1.00 0.00 H new ATOM 0 HD23 LEU A 111 0.604 7.144 8.215 1.00 0.00 H new ATOM 1802 N MET A 112 -2.880 5.173 4.989 1.00 0.00 N ATOM 1803 CA MET A 112 -4.139 5.224 4.246 1.00 0.00 C ATOM 1804 C MET A 112 -5.239 4.455 4.980 1.00 0.00 C ATOM 1805 O MET A 112 -6.397 4.481 4.568 1.00 0.00 O ATOM 1806 CB MET A 112 -3.981 4.713 2.796 1.00 0.00 C ATOM 1807 CG MET A 112 -4.010 3.198 2.622 1.00 0.00 C ATOM 1808 SD MET A 112 -2.539 2.373 3.251 1.00 0.00 S ATOM 1809 CE MET A 112 -2.823 0.703 2.658 1.00 0.00 C ATOM 0 H MET A 112 -2.280 4.378 4.767 1.00 0.00 H new ATOM 0 HA MET A 112 -4.433 6.272 4.186 1.00 0.00 H new ATOM 0 HB2 MET A 112 -4.777 5.145 2.189 1.00 0.00 H new ATOM 0 HB3 MET A 112 -3.038 5.088 2.399 1.00 0.00 H new ATOM 0 HG2 MET A 112 -4.887 2.799 3.132 1.00 0.00 H new ATOM 0 HG3 MET A 112 -4.123 2.964 1.563 1.00 0.00 H new ATOM 0 HE1 MET A 112 -1.887 0.284 2.290 1.00 0.00 H new ATOM 0 HE2 MET A 112 -3.201 0.087 3.474 1.00 0.00 H new ATOM 0 HE3 MET A 112 -3.554 0.723 1.850 1.00 0.00 H new ATOM 1819 N GLU A 113 -4.888 3.780 6.074 1.00 0.00 N ATOM 1820 CA GLU A 113 -5.896 3.117 6.902 1.00 0.00 C ATOM 1821 C GLU A 113 -6.739 4.164 7.626 1.00 0.00 C ATOM 1822 O GLU A 113 -7.924 4.335 7.333 1.00 0.00 O ATOM 1823 CB GLU A 113 -5.245 2.158 7.915 1.00 0.00 C ATOM 1824 CG GLU A 113 -6.249 1.473 8.845 1.00 0.00 C ATOM 1825 CD GLU A 113 -5.613 0.433 9.755 1.00 0.00 C ATOM 1826 OE1 GLU A 113 -4.812 0.812 10.637 1.00 0.00 O ATOM 1827 OE2 GLU A 113 -5.929 -0.767 9.612 1.00 0.00 O ATOM 0 H GLU A 113 -3.928 3.678 6.405 1.00 0.00 H new ATOM 0 HA GLU A 113 -6.539 2.524 6.251 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -4.686 1.395 7.373 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -4.525 2.713 8.517 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -6.741 2.229 9.457 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -7.023 0.995 8.244 1.00 0.00 H new ATOM 1834 N GLN A 114 -6.100 4.894 8.538 1.00 0.00 N ATOM 1835 CA GLN A 114 -6.778 5.907 9.351 1.00 0.00 C ATOM 1836 C GLN A 114 -7.574 6.887 8.482 1.00 0.00 C ATOM 1837 O GLN A 114 -8.623 7.392 8.894 1.00 0.00 O ATOM 1838 CB GLN A 114 -5.748 6.670 10.198 1.00 0.00 C ATOM 1839 CG GLN A 114 -4.666 7.361 9.372 1.00 0.00 C ATOM 1840 CD GLN A 114 -3.605 8.035 10.223 1.00 0.00 C ATOM 1841 OE1 GLN A 114 -3.872 8.486 11.337 1.00 0.00 O ATOM 1842 NE2 GLN A 114 -2.392 8.109 9.699 1.00 0.00 N ATOM 0 H GLN A 114 -5.103 4.803 8.735 1.00 0.00 H new ATOM 0 HA GLN A 114 -7.483 5.396 10.007 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -6.267 7.417 10.799 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -5.275 5.975 10.892 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -4.189 6.627 8.722 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -5.131 8.105 8.725 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -2.212 7.723 8.772 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -1.637 8.552 10.222 1.00 0.00 H new ATOM 1851 N ASP A 115 -7.076 7.135 7.272 1.00 0.00 N ATOM 1852 CA ASP A 115 -7.690 8.097 6.355 1.00 0.00 C ATOM 1853 C ASP A 115 -8.574 7.403 5.318 1.00 0.00 C ATOM 1854 O ASP A 115 -9.802 7.472 5.384 1.00 0.00 O ATOM 1855 CB ASP A 115 -6.601 8.916 5.643 1.00 0.00 C ATOM 1856 CG ASP A 115 -7.157 9.815 4.541 1.00 0.00 C ATOM 1857 OD1 ASP A 115 -7.610 10.938 4.850 1.00 0.00 O ATOM 1858 OD2 ASP A 115 -7.131 9.405 3.359 1.00 0.00 O ATOM 0 H ASP A 115 -6.242 6.680 6.901 1.00 0.00 H new ATOM 0 HA ASP A 115 -8.321 8.761 6.946 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -6.078 9.530 6.376 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -5.865 8.236 5.213 1.00 0.00 H new ATOM 1863 N SER A 116 -7.938 6.719 4.374 1.00 0.00 N ATOM 1864 CA SER A 116 -8.623 6.210 3.192 1.00 0.00 C ATOM 1865 C SER A 116 -9.557 5.040 3.513 1.00 0.00 C ATOM 1866 O SER A 116 -10.579 4.881 2.858 1.00 0.00 O ATOM 1867 CB SER A 116 -7.596 5.797 2.133 1.00 0.00 C ATOM 1868 OG SER A 116 -6.656 6.837 1.908 1.00 0.00 O ATOM 0 H SER A 116 -6.942 6.503 4.405 1.00 0.00 H new ATOM 0 HA SER A 116 -9.247 7.016 2.805 1.00 0.00 H new ATOM 0 HB2 SER A 116 -7.076 4.895 2.456 1.00 0.00 H new ATOM 0 HB3 SER A 116 -8.106 5.554 1.201 1.00 0.00 H new ATOM 0 HG SER A 116 -6.969 7.660 2.339 1.00 0.00 H new ATOM 1874 N TYR A 117 -9.218 4.230 4.517 1.00 0.00 N ATOM 1875 CA TYR A 117 -10.041 3.067 4.870 1.00 0.00 C ATOM 1876 C TYR A 117 -11.416 3.511 5.365 1.00 0.00 C ATOM 1877 O TYR A 117 -12.441 3.126 4.800 1.00 0.00 O ATOM 1878 CB TYR A 117 -9.334 2.207 5.927 1.00 0.00 C ATOM 1879 CG TYR A 117 -10.174 1.073 6.501 1.00 0.00 C ATOM 1880 CD1 TYR A 117 -10.892 0.212 5.673 1.00 0.00 C ATOM 1881 CD2 TYR A 117 -10.225 0.854 7.875 1.00 0.00 C ATOM 1882 CE1 TYR A 117 -11.633 -0.830 6.200 1.00 0.00 C ATOM 1883 CE2 TYR A 117 -10.968 -0.183 8.406 1.00 0.00 C ATOM 1884 CZ TYR A 117 -11.667 -1.023 7.566 1.00 0.00 C ATOM 1885 OH TYR A 117 -12.398 -2.061 8.093 1.00 0.00 O ATOM 0 H TYR A 117 -8.388 4.354 5.097 1.00 0.00 H new ATOM 0 HA TYR A 117 -10.181 2.461 3.975 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -8.432 1.783 5.485 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -9.015 2.853 6.745 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -10.869 0.361 4.604 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -9.674 1.506 8.537 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -12.183 -1.490 5.545 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -11.001 -0.335 9.475 1.00 0.00 H new ATOM 0 HH TYR A 117 -13.316 -1.762 8.263 1.00 0.00 H new ATOM 1895 N THR A 118 -11.429 4.334 6.408 1.00 0.00 N ATOM 1896 CA THR A 118 -12.677 4.846 6.964 1.00 0.00 C ATOM 1897 C THR A 118 -13.443 5.642 5.906 1.00 0.00 C ATOM 1898 O THR A 118 -14.646 5.446 5.699 1.00 0.00 O ATOM 1899 CB THR A 118 -12.407 5.738 8.198 1.00 0.00 C ATOM 1900 OG1 THR A 118 -11.460 6.765 7.859 1.00 0.00 O ATOM 1901 CG2 THR A 118 -11.871 4.914 9.365 1.00 0.00 C ATOM 0 H THR A 118 -10.589 4.661 6.886 1.00 0.00 H new ATOM 0 HA THR A 118 -13.281 3.994 7.278 1.00 0.00 H new ATOM 0 HB THR A 118 -13.350 6.192 8.502 1.00 0.00 H new ATOM 0 HG1 THR A 118 -10.644 6.645 8.388 1.00 0.00 H new ATOM 0 HG21 THR A 118 -11.690 5.567 10.219 1.00 0.00 H new ATOM 0 HG22 THR A 118 -12.602 4.153 9.639 1.00 0.00 H new ATOM 0 HG23 THR A 118 -10.938 4.433 9.072 1.00 0.00 H new ATOM 1909 N ARG A 119 -12.719 6.518 5.216 1.00 0.00 N ATOM 1910 CA ARG A 119 -13.293 7.334 4.152 1.00 0.00 C ATOM 1911 C ARG A 119 -13.845 6.452 3.026 1.00 0.00 C ATOM 1912 O ARG A 119 -14.833 6.806 2.379 1.00 0.00 O ATOM 1913 CB ARG A 119 -12.235 8.316 3.625 1.00 0.00 C ATOM 1914 CG ARG A 119 -12.709 9.190 2.469 1.00 0.00 C ATOM 1915 CD ARG A 119 -11.785 10.384 2.242 1.00 0.00 C ATOM 1916 NE ARG A 119 -10.375 9.995 2.092 1.00 0.00 N ATOM 1917 CZ ARG A 119 -9.678 10.132 0.962 1.00 0.00 C ATOM 1918 NH1 ARG A 119 -10.281 10.539 -0.143 1.00 0.00 N ATOM 1919 NH2 ARG A 119 -8.380 9.860 0.939 1.00 0.00 N ATOM 0 H ARG A 119 -11.725 6.681 5.377 1.00 0.00 H new ATOM 0 HA ARG A 119 -14.128 7.907 4.554 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -11.914 8.960 4.444 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -11.360 7.751 3.303 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -12.760 8.592 1.559 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -13.719 9.546 2.673 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -12.106 10.921 1.349 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -11.879 11.075 3.080 1.00 0.00 H new ATOM 0 HE ARG A 119 -9.900 9.596 2.902 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -11.279 10.748 -0.132 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -9.748 10.643 -1.006 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -7.910 9.544 1.787 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -7.852 9.966 0.073 1.00 0.00 H new ATOM 1933 N PHE A 120 -13.219 5.294 2.816 1.00 0.00 N ATOM 1934 CA PHE A 120 -13.684 4.336 1.816 1.00 0.00 C ATOM 1935 C PHE A 120 -14.986 3.693 2.282 1.00 0.00 C ATOM 1936 O PHE A 120 -15.906 3.499 1.497 1.00 0.00 O ATOM 1937 CB PHE A 120 -12.621 3.257 1.550 1.00 0.00 C ATOM 1938 CG PHE A 120 -13.004 2.268 0.471 1.00 0.00 C ATOM 1939 CD1 PHE A 120 -12.912 2.616 -0.871 1.00 0.00 C ATOM 1940 CD2 PHE A 120 -13.453 0.994 0.797 1.00 0.00 C ATOM 1941 CE1 PHE A 120 -13.262 1.716 -1.861 1.00 0.00 C ATOM 1942 CE2 PHE A 120 -13.803 0.092 -0.191 1.00 0.00 C ATOM 1943 CZ PHE A 120 -13.708 0.454 -1.521 1.00 0.00 C ATOM 0 H PHE A 120 -12.387 4.997 3.327 1.00 0.00 H new ATOM 0 HA PHE A 120 -13.862 4.870 0.883 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -11.687 3.743 1.268 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -12.430 2.714 2.475 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -12.563 3.601 -1.144 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -13.530 0.705 1.835 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -13.187 2.000 -2.900 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -14.150 -0.895 0.077 1.00 0.00 H new ATOM 0 HZ PHE A 120 -13.982 -0.249 -2.294 1.00 0.00 H new ATOM 1953 N LEU A 121 -15.068 3.391 3.574 1.00 0.00 N ATOM 1954 CA LEU A 121 -16.279 2.811 4.149 1.00 0.00 C ATOM 1955 C LEU A 121 -17.454 3.779 4.005 1.00 0.00 C ATOM 1956 O LEU A 121 -18.617 3.373 4.039 1.00 0.00 O ATOM 1957 CB LEU A 121 -16.058 2.453 5.627 1.00 0.00 C ATOM 1958 CG LEU A 121 -14.952 1.418 5.894 1.00 0.00 C ATOM 1959 CD1 LEU A 121 -14.820 1.139 7.390 1.00 0.00 C ATOM 1960 CD2 LEU A 121 -15.219 0.125 5.122 1.00 0.00 C ATOM 0 H LEU A 121 -14.312 3.538 4.243 1.00 0.00 H new ATOM 0 HA LEU A 121 -16.514 1.896 3.605 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -15.818 3.365 6.173 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -16.994 2.073 6.036 1.00 0.00 H new ATOM 0 HG LEU A 121 -14.008 1.833 5.542 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -14.032 0.404 7.555 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -14.570 2.063 7.912 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -15.764 0.751 7.772 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -14.424 -0.592 5.327 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -16.175 -0.295 5.435 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -15.249 0.339 4.054 1.00 0.00 H new ATOM 1972 N LYS A 122 -17.139 5.063 3.853 1.00 0.00 N ATOM 1973 CA LYS A 122 -18.157 6.091 3.646 1.00 0.00 C ATOM 1974 C LYS A 122 -18.263 6.506 2.174 1.00 0.00 C ATOM 1975 O LYS A 122 -19.214 7.192 1.791 1.00 0.00 O ATOM 1976 CB LYS A 122 -17.848 7.325 4.507 1.00 0.00 C ATOM 1977 CG LYS A 122 -17.865 7.062 6.012 1.00 0.00 C ATOM 1978 CD LYS A 122 -19.229 6.573 6.503 1.00 0.00 C ATOM 1979 CE LYS A 122 -20.345 7.576 6.212 1.00 0.00 C ATOM 1980 NZ LYS A 122 -20.091 8.894 6.848 1.00 0.00 N ATOM 0 H LYS A 122 -16.183 5.418 3.869 1.00 0.00 H new ATOM 0 HA LYS A 122 -19.114 5.663 3.944 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -16.868 7.711 4.229 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -18.575 8.104 4.278 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -17.106 6.319 6.257 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -17.598 7.977 6.541 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -19.465 5.622 6.025 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -19.181 6.388 7.576 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -20.442 7.707 5.134 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -21.293 7.177 6.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -20.924 9.505 6.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -19.906 8.760 7.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -19.265 9.341 6.402 1.00 0.00 H new ATOM 1994 N SER A 123 -17.297 6.093 1.352 1.00 0.00 N ATOM 1995 CA SER A 123 -17.250 6.517 -0.047 1.00 0.00 C ATOM 1996 C SER A 123 -18.444 5.974 -0.823 1.00 0.00 C ATOM 1997 O SER A 123 -18.897 4.849 -0.578 1.00 0.00 O ATOM 1998 CB SER A 123 -15.952 6.044 -0.715 1.00 0.00 C ATOM 1999 OG SER A 123 -15.940 4.633 -0.876 1.00 0.00 O ATOM 0 H SER A 123 -16.540 5.468 1.630 1.00 0.00 H new ATOM 0 HA SER A 123 -17.285 7.606 -0.061 1.00 0.00 H new ATOM 0 HB2 SER A 123 -15.845 6.524 -1.688 1.00 0.00 H new ATOM 0 HB3 SER A 123 -15.097 6.351 -0.112 1.00 0.00 H new ATOM 0 HG SER A 123 -16.150 4.204 -0.020 1.00 0.00 H new ATOM 2005 N ASP A 124 -18.939 6.767 -1.768 1.00 0.00 N ATOM 2006 CA ASP A 124 -20.041 6.348 -2.629 1.00 0.00 C ATOM 2007 C ASP A 124 -19.671 5.068 -3.374 1.00 0.00 C ATOM 2008 O ASP A 124 -20.532 4.244 -3.664 1.00 0.00 O ATOM 2009 CB ASP A 124 -20.397 7.457 -3.626 1.00 0.00 C ATOM 2010 CG ASP A 124 -19.271 7.747 -4.605 1.00 0.00 C ATOM 2011 OD1 ASP A 124 -18.250 8.335 -4.184 1.00 0.00 O ATOM 2012 OD2 ASP A 124 -19.399 7.392 -5.796 1.00 0.00 O ATOM 0 H ASP A 124 -18.593 7.708 -1.958 1.00 0.00 H new ATOM 0 HA ASP A 124 -20.912 6.152 -2.004 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -21.290 7.169 -4.180 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -20.641 8.368 -3.079 1.00 0.00 H new ATOM 2017 N ILE A 125 -18.376 4.913 -3.663 1.00 0.00 N ATOM 2018 CA ILE A 125 -17.849 3.698 -4.290 1.00 0.00 C ATOM 2019 C ILE A 125 -18.283 2.463 -3.499 1.00 0.00 C ATOM 2020 O ILE A 125 -18.874 1.525 -4.046 1.00 0.00 O ATOM 2021 CB ILE A 125 -16.291 3.725 -4.383 1.00 0.00 C ATOM 2022 CG1 ILE A 125 -15.802 4.726 -5.454 1.00 0.00 C ATOM 2023 CG2 ILE A 125 -15.730 2.331 -4.668 1.00 0.00 C ATOM 2024 CD1 ILE A 125 -16.000 6.182 -5.089 1.00 0.00 C ATOM 0 H ILE A 125 -17.668 5.621 -3.470 1.00 0.00 H new ATOM 0 HA ILE A 125 -18.254 3.653 -5.301 1.00 0.00 H new ATOM 0 HB ILE A 125 -15.919 4.057 -3.414 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -14.742 4.552 -5.639 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -16.326 4.524 -6.388 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -14.643 2.381 -4.727 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -16.019 1.652 -3.866 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -16.128 1.965 -5.614 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -15.629 6.813 -5.897 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -17.061 6.377 -4.934 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -15.452 6.405 -4.173 1.00 0.00 H new ATOM 2036 N TYR A 126 -18.003 2.489 -2.198 1.00 0.00 N ATOM 2037 CA TYR A 126 -18.315 1.372 -1.314 1.00 0.00 C ATOM 2038 C TYR A 126 -19.822 1.122 -1.275 1.00 0.00 C ATOM 2039 O TYR A 126 -20.276 -0.008 -1.441 1.00 0.00 O ATOM 2040 CB TYR A 126 -17.780 1.653 0.095 1.00 0.00 C ATOM 2041 CG TYR A 126 -17.999 0.521 1.084 1.00 0.00 C ATOM 2042 CD1 TYR A 126 -17.348 -0.700 0.929 1.00 0.00 C ATOM 2043 CD2 TYR A 126 -18.852 0.674 2.173 1.00 0.00 C ATOM 2044 CE1 TYR A 126 -17.541 -1.731 1.828 1.00 0.00 C ATOM 2045 CE2 TYR A 126 -19.047 -0.352 3.077 1.00 0.00 C ATOM 2046 CZ TYR A 126 -18.390 -1.553 2.900 1.00 0.00 C ATOM 2047 OH TYR A 126 -18.583 -2.578 3.798 1.00 0.00 O ATOM 0 H TYR A 126 -17.557 3.279 -1.731 1.00 0.00 H new ATOM 0 HA TYR A 126 -17.832 0.475 -1.700 1.00 0.00 H new ATOM 0 HB2 TYR A 126 -16.712 1.862 0.031 1.00 0.00 H new ATOM 0 HB3 TYR A 126 -18.258 2.554 0.480 1.00 0.00 H new ATOM 0 HD1 TYR A 126 -16.681 -0.843 0.092 1.00 0.00 H new ATOM 0 HD2 TYR A 126 -19.370 1.611 2.314 1.00 0.00 H new ATOM 0 HE1 TYR A 126 -17.029 -2.672 1.692 1.00 0.00 H new ATOM 0 HE2 TYR A 126 -19.710 -0.215 3.918 1.00 0.00 H new ATOM 0 HH TYR A 126 -17.804 -3.173 3.788 1.00 0.00 H new ATOM 2057 N LEU A 127 -20.594 2.188 -1.081 1.00 0.00 N ATOM 2058 CA LEU A 127 -22.053 2.079 -1.013 1.00 0.00 C ATOM 2059 C LEU A 127 -22.641 1.695 -2.373 1.00 0.00 C ATOM 2060 O LEU A 127 -23.766 1.199 -2.453 1.00 0.00 O ATOM 2061 CB LEU A 127 -22.684 3.389 -0.510 1.00 0.00 C ATOM 2062 CG LEU A 127 -22.545 3.667 1.002 1.00 0.00 C ATOM 2063 CD1 LEU A 127 -23.183 2.546 1.820 1.00 0.00 C ATOM 2064 CD2 LEU A 127 -21.081 3.856 1.400 1.00 0.00 C ATOM 0 H LEU A 127 -20.237 3.137 -0.968 1.00 0.00 H new ATOM 0 HA LEU A 127 -22.289 1.288 -0.301 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -22.235 4.219 -1.055 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -23.744 3.379 -0.762 1.00 0.00 H new ATOM 0 HG LEU A 127 -23.073 4.596 1.218 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -23.073 2.763 2.883 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -24.242 2.472 1.572 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -22.690 1.602 1.590 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -21.017 4.050 2.471 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -20.519 2.953 1.161 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -20.661 4.700 0.853 1.00 0.00 H new ATOM 2076 N ASP A 128 -21.875 1.929 -3.434 1.00 0.00 N ATOM 2077 CA ASP A 128 -22.284 1.556 -4.790 1.00 0.00 C ATOM 2078 C ASP A 128 -22.105 0.056 -5.000 1.00 0.00 C ATOM 2079 O ASP A 128 -22.804 -0.561 -5.805 1.00 0.00 O ATOM 2080 CB ASP A 128 -21.475 2.343 -5.829 1.00 0.00 C ATOM 2081 CG ASP A 128 -21.871 2.015 -7.261 1.00 0.00 C ATOM 2082 OD1 ASP A 128 -22.867 2.591 -7.752 1.00 0.00 O ATOM 2083 OD2 ASP A 128 -21.176 1.195 -7.905 1.00 0.00 O ATOM 0 H ASP A 128 -20.961 2.378 -3.383 1.00 0.00 H new ATOM 0 HA ASP A 128 -23.338 1.802 -4.916 1.00 0.00 H new ATOM 0 HB2 ASP A 128 -21.611 3.410 -5.655 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -20.415 2.131 -5.693 1.00 0.00 H new ATOM 2088 N LEU A 129 -21.175 -0.527 -4.245 1.00 0.00 N ATOM 2089 CA LEU A 129 -20.952 -1.969 -4.268 1.00 0.00 C ATOM 2090 C LEU A 129 -21.977 -2.596 -3.352 1.00 0.00 C ATOM 2091 O LEU A 129 -22.481 -3.696 -3.584 1.00 0.00 O ATOM 2092 CB LEU A 129 -19.546 -2.319 -3.758 1.00 0.00 C ATOM 2093 CG LEU A 129 -18.374 -1.669 -4.504 1.00 0.00 C ATOM 2094 CD1 LEU A 129 -17.063 -1.976 -3.784 1.00 0.00 C ATOM 2095 CD2 LEU A 129 -18.325 -2.144 -5.956 1.00 0.00 C ATOM 0 H LEU A 129 -20.562 -0.019 -3.608 1.00 0.00 H new ATOM 0 HA LEU A 129 -21.042 -2.339 -5.289 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -19.482 -2.036 -2.707 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -19.424 -3.401 -3.805 1.00 0.00 H new ATOM 0 HG LEU A 129 -18.520 -0.589 -4.513 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -16.236 -1.511 -4.320 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -17.105 -1.582 -2.769 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -16.911 -3.055 -3.748 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -17.486 -1.670 -6.466 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -18.200 -3.227 -5.981 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -19.254 -1.875 -6.459 1.00 0.00 H new ATOM 2107 N MET A 130 -22.261 -1.850 -2.297 1.00 0.00 N ATOM 2108 CA MET A 130 -23.230 -2.227 -1.298 1.00 0.00 C ATOM 2109 C MET A 130 -24.640 -1.866 -1.753 1.00 0.00 C ATOM 2110 O MET A 130 -24.885 -1.575 -2.927 1.00 0.00 O ATOM 2111 CB MET A 130 -22.897 -1.522 0.031 1.00 0.00 C ATOM 2112 CG MET A 130 -21.581 -1.970 0.648 1.00 0.00 C ATOM 2113 SD MET A 130 -21.543 -3.745 0.945 1.00 0.00 S ATOM 2114 CE MET A 130 -23.035 -3.955 1.910 1.00 0.00 C ATOM 0 H MET A 130 -21.814 -0.952 -2.114 1.00 0.00 H new ATOM 0 HA MET A 130 -23.189 -3.306 -1.153 1.00 0.00 H new ATOM 0 HB2 MET A 130 -22.861 -0.446 -0.138 1.00 0.00 H new ATOM 0 HB3 MET A 130 -23.703 -1.706 0.742 1.00 0.00 H new ATOM 0 HG2 MET A 130 -20.759 -1.696 -0.013 1.00 0.00 H new ATOM 0 HG3 MET A 130 -21.423 -1.442 1.588 1.00 0.00 H new ATOM 0 HE1 MET A 130 -23.071 -4.969 2.307 1.00 0.00 H new ATOM 0 HE2 MET A 130 -23.039 -3.242 2.734 1.00 0.00 H new ATOM 0 HE3 MET A 130 -23.905 -3.782 1.277 1.00 0.00 H new ATOM 2124 N GLU A 131 -25.548 -1.888 -0.801 1.00 0.00 N ATOM 2125 CA GLU A 131 -26.964 -1.625 -1.032 1.00 0.00 C ATOM 2126 C GLU A 131 -27.653 -1.298 0.293 1.00 0.00 C ATOM 2127 O GLU A 131 -28.560 -0.467 0.348 1.00 0.00 O ATOM 2128 CB GLU A 131 -27.643 -2.815 -1.753 1.00 0.00 C ATOM 2129 CG GLU A 131 -27.021 -4.190 -1.473 1.00 0.00 C ATOM 2130 CD GLU A 131 -27.224 -4.683 -0.049 1.00 0.00 C ATOM 2131 OE1 GLU A 131 -28.267 -5.321 0.219 1.00 0.00 O ATOM 2132 OE2 GLU A 131 -26.339 -4.445 0.802 1.00 0.00 O ATOM 0 H GLU A 131 -25.326 -2.092 0.173 1.00 0.00 H new ATOM 0 HA GLU A 131 -27.060 -0.761 -1.690 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -28.693 -2.843 -1.463 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -27.614 -2.633 -2.827 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -27.448 -4.918 -2.163 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -25.952 -4.143 -1.681 1.00 0.00 H new ATOM 2139 N GLY A 132 -27.192 -1.936 1.367 1.00 0.00 N ATOM 2140 CA GLY A 132 -27.697 -1.645 2.695 1.00 0.00 C ATOM 2141 C GLY A 132 -28.217 -2.881 3.404 1.00 0.00 C ATOM 2142 O GLY A 132 -29.378 -2.921 3.817 1.00 0.00 O ATOM 0 H GLY A 132 -26.470 -2.656 1.337 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -26.903 -1.195 3.291 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -28.497 -0.908 2.622 1.00 0.00 H new ATOM 2146 N ARG A 133 -27.375 -3.905 3.529 1.00 0.00 N ATOM 2147 CA ARG A 133 -27.739 -5.110 4.275 1.00 0.00 C ATOM 2148 C ARG A 133 -26.661 -5.457 5.306 1.00 0.00 C ATOM 2149 O ARG A 133 -25.772 -6.265 5.041 1.00 0.00 O ATOM 2150 CB ARG A 133 -27.955 -6.297 3.327 1.00 0.00 C ATOM 2151 CG ARG A 133 -28.560 -7.532 3.999 1.00 0.00 C ATOM 2152 CD ARG A 133 -30.068 -7.397 4.215 1.00 0.00 C ATOM 2153 NE ARG A 133 -30.427 -6.283 5.105 1.00 0.00 N ATOM 2154 CZ ARG A 133 -31.451 -5.450 4.885 1.00 0.00 C ATOM 2155 NH1 ARG A 133 -32.189 -5.573 3.790 1.00 0.00 N ATOM 2156 NH2 ARG A 133 -31.730 -4.494 5.758 1.00 0.00 N ATOM 0 H ARG A 133 -26.439 -3.926 3.125 1.00 0.00 H new ATOM 0 HA ARG A 133 -28.673 -4.907 4.798 1.00 0.00 H new ATOM 0 HB2 ARG A 133 -28.608 -5.983 2.512 1.00 0.00 H new ATOM 0 HB3 ARG A 133 -26.999 -6.571 2.881 1.00 0.00 H new ATOM 0 HG2 ARG A 133 -28.361 -8.411 3.386 1.00 0.00 H new ATOM 0 HG3 ARG A 133 -28.071 -7.696 4.959 1.00 0.00 H new ATOM 0 HD2 ARG A 133 -30.556 -7.255 3.251 1.00 0.00 H new ATOM 0 HD3 ARG A 133 -30.454 -8.327 4.633 1.00 0.00 H new ATOM 0 HE ARG A 133 -29.861 -6.136 5.941 1.00 0.00 H new ATOM 0 HH11 ARG A 133 -31.977 -6.305 3.112 1.00 0.00 H new ATOM 0 HH12 ARG A 133 -32.969 -4.936 3.626 1.00 0.00 H new ATOM 0 HH21 ARG A 133 -31.164 -4.391 6.600 1.00 0.00 H new ATOM 0 HH22 ARG A 133 -32.511 -3.860 5.588 1.00 0.00 H new ATOM 2170 N PRO A 134 -26.708 -4.818 6.487 1.00 0.00 N ATOM 2171 CA PRO A 134 -25.807 -5.122 7.594 1.00 0.00 C ATOM 2172 C PRO A 134 -26.429 -6.122 8.573 1.00 0.00 C ATOM 2173 O PRO A 134 -26.132 -6.107 9.771 1.00 0.00 O ATOM 2174 CB PRO A 134 -25.647 -3.745 8.243 1.00 0.00 C ATOM 2175 CG PRO A 134 -26.985 -3.089 8.066 1.00 0.00 C ATOM 2176 CD PRO A 134 -27.624 -3.713 6.839 1.00 0.00 C ATOM 0 HA PRO A 134 -24.871 -5.586 7.284 1.00 0.00 H new ATOM 0 HB2 PRO A 134 -25.383 -3.831 9.297 1.00 0.00 H new ATOM 0 HB3 PRO A 134 -24.856 -3.169 7.763 1.00 0.00 H new ATOM 0 HG2 PRO A 134 -27.609 -3.242 8.946 1.00 0.00 H new ATOM 0 HG3 PRO A 134 -26.873 -2.012 7.938 1.00 0.00 H new ATOM 0 HD2 PRO A 134 -28.628 -4.079 7.053 1.00 0.00 H new ATOM 0 HD3 PRO A 134 -27.714 -2.993 6.025 1.00 0.00 H new TER 2184 PRO A 134