USER MOD reduce.3.24.130724 H: found=0, std=0, add=1157, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1155 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 137 HIS : no HD1:sc= -0.986 K(o=-2.3,f=-3.7!) USER MOD Set 1.2: A 141 ASN : amide:sc= -1.27 K(o=-2.3,f=-3.6!) USER MOD Set 2.1: A 106 TYR OH : rot 102:sc= -0.947 USER MOD Set 2.2: A 114 LYS NZ :NH3+ 161:sc= -2.22! (180deg=-2.46!) USER MOD Set 3.1: A 83 SER OG : rot 180:sc= 0.327 USER MOD Set 3.2: A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 28 ASN :FLIP amide:sc= 0.573 F(o=-3.6,f=1.8) USER MOD Set 4.2: A 29 LYS NZ :NH3+ 172:sc= 1.27 (180deg=0) USER MOD Set 5.1: A 1 ALA N :NH3+ -144:sc= -1.68! (180deg=-3.47!) USER MOD Set 5.2: A 26 ASN :FLIP amide:sc= 0.235 F(o=-3.8,f=-1.4) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 ASN :FLIP amide:sc= -6.53! C(o=-7.5!,f=-6.5!) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.517 K(o=-0.52,f=-1.2!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.191 USER MOD Single : A 16 ASN : amide:sc= -0.0378 X(o=-0.038,f=-0.42) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 150:sc= -0.417 USER MOD Single : A 20 THR OG1 : rot -20:sc= 0.00162 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 166:sc= -0.37 USER MOD Single : A 27 GLN :FLIP amide:sc= 0.00223 F(o=-2.6!,f=0.0022) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.428 X(o=-0.43,f=-0.76) USER MOD Single : A 34 SER OG : rot -75:sc= 0.814 USER MOD Single : A 35 HIS : no HD1:sc= -0.481 X(o=-0.48,f=-0.37) USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 40 SER OG : rot -140:sc= -0.249 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 144:sc= 0.475 USER MOD Single : A 46 SER OG : rot 87:sc= -0.479 USER MOD Single : A 47 SER OG : rot 180:sc= -0.126 USER MOD Single : A 48 TYR OH : rot 130:sc= -0.48 USER MOD Single : A 50 HIS : no HD1:sc= -1.92 K(o=-1.9,f=-4.7!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.0282 USER MOD Single : A 54 ASN : amide:sc= -0.338 X(o=-0.34,f=-0.15) USER MOD Single : A 56 TYR OH : rot -90:sc= 0.305 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -158:sc= -0.0471 (180deg=-0.453) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 HIS : no HD1:sc= 0.141 K(o=0.14,f=-3.3!) USER MOD Single : A 87 ASN : amide:sc= -2.11 X(o=-2.1,f=-1.7) USER MOD Single : A 89 LYS NZ :NH3+ -169:sc=-0.00881 (180deg=-0.175) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HE2:sc= -1.11 K(o=-1.1,f=-2.8!) USER MOD Single : A 93 TYR OH : rot 15:sc= -0.116 USER MOD Single : A 99 THR OG1 : rot -160:sc= 0 USER MOD Single : A 104 HIS : no HD1:sc= -1.27 K(o=-1.3,f=-3.5) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 ASN : amide:sc= -0.836 X(o=-0.84,f=-0.86) USER MOD Single : A 124 TYR OH : rot 180:sc= -1.8! USER MOD Single : A 125 THR OG1 : rot 180:sc= -0.417 USER MOD Single : A 126 TYR OH : rot -176:sc= 0.571 USER MOD Single : A 128 ASN : amide:sc= -0.744 X(o=-0.74,f=-0.31) USER MOD Single : A 129 LYS NZ :NH3+ 174:sc= -1.1! (180deg=-1.7!) USER MOD Single : A 138 THR OG1 : rot 180:sc= 0.0542 USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 GLN : amide:sc=-0.00582 X(o=-0.0058,f=0) USER MOD Single : A 146 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0242) USER MOD Single : A 149 SER OG : rot 180:sc= 0 USER MOD Single : A 150 HIS : no HD1:sc= -1.26 X(o=-1.3,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 2.660 -5.648 -16.616 1.00 0.00 N ATOM 2 CA ALA A 1 3.488 -6.625 -17.349 1.00 0.00 C ATOM 3 C ALA A 1 3.364 -8.042 -16.781 1.00 0.00 C ATOM 4 O ALA A 1 2.985 -8.990 -17.465 1.00 0.00 O ATOM 5 CB ALA A 1 4.951 -6.159 -17.310 1.00 0.00 C ATOM 0 H1 ALA A 1 2.279 -4.946 -17.283 1.00 0.00 H new ATOM 0 H2 ALA A 1 1.874 -6.142 -16.147 1.00 0.00 H new ATOM 0 H3 ALA A 1 3.242 -5.166 -15.901 1.00 0.00 H new ATOM 0 HA ALA A 1 3.130 -6.671 -18.378 1.00 0.00 H new ATOM 0 HB1 ALA A 1 5.575 -6.873 -17.848 1.00 0.00 H new ATOM 0 HB2 ALA A 1 5.033 -5.179 -17.779 1.00 0.00 H new ATOM 0 HB3 ALA A 1 5.285 -6.095 -16.274 1.00 0.00 H new ATOM 11 N VAL A 2 3.492 -8.097 -15.462 1.00 0.00 N ATOM 12 CA VAL A 2 3.379 -9.343 -14.689 1.00 0.00 C ATOM 13 C VAL A 2 2.063 -9.317 -13.901 1.00 0.00 C ATOM 14 O VAL A 2 1.724 -8.310 -13.264 1.00 0.00 O ATOM 15 CB VAL A 2 4.645 -9.414 -13.809 1.00 0.00 C ATOM 16 CG1 VAL A 2 4.616 -10.573 -12.855 1.00 0.00 C ATOM 17 CG2 VAL A 2 5.921 -9.602 -14.643 1.00 0.00 C ATOM 0 H VAL A 2 3.679 -7.276 -14.887 1.00 0.00 H new ATOM 0 HA VAL A 2 3.336 -10.243 -15.303 1.00 0.00 H new ATOM 0 HB VAL A 2 4.655 -8.464 -13.274 1.00 0.00 H new ATOM 0 HG11 VAL A 2 5.529 -10.577 -12.260 1.00 0.00 H new ATOM 0 HG12 VAL A 2 3.753 -10.480 -12.195 1.00 0.00 H new ATOM 0 HG13 VAL A 2 4.545 -11.505 -13.416 1.00 0.00 H new ATOM 0 HG21 VAL A 2 6.785 -9.646 -13.981 1.00 0.00 H new ATOM 0 HG22 VAL A 2 5.851 -10.530 -15.211 1.00 0.00 H new ATOM 0 HG23 VAL A 2 6.033 -8.764 -15.330 1.00 0.00 H new ATOM 27 N THR A 3 1.338 -10.420 -14.001 1.00 0.00 N ATOM 28 CA THR A 3 0.041 -10.630 -13.332 1.00 0.00 C ATOM 29 C THR A 3 0.207 -11.110 -11.891 1.00 0.00 C ATOM 30 O THR A 3 0.422 -12.288 -11.628 1.00 0.00 O ATOM 31 CB THR A 3 -0.822 -11.541 -14.237 1.00 0.00 C ATOM 32 OG1 THR A 3 -1.519 -10.676 -15.133 1.00 0.00 O ATOM 33 CG2 THR A 3 -1.779 -12.532 -13.562 1.00 0.00 C ATOM 0 H THR A 3 1.633 -11.220 -14.561 1.00 0.00 H new ATOM 0 HA THR A 3 -0.493 -9.687 -13.214 1.00 0.00 H new ATOM 0 HB THR A 3 -0.132 -12.224 -14.731 1.00 0.00 H new ATOM 0 HG1 THR A 3 -2.082 -11.210 -15.732 1.00 0.00 H new ATOM 0 HG21 THR A 3 -2.313 -13.098 -14.325 1.00 0.00 H new ATOM 0 HG22 THR A 3 -1.210 -13.217 -12.934 1.00 0.00 H new ATOM 0 HG23 THR A 3 -2.495 -11.986 -12.948 1.00 0.00 H new ATOM 41 N TRP A 4 0.160 -10.162 -10.964 1.00 0.00 N ATOM 42 CA TRP A 4 0.297 -10.478 -9.519 1.00 0.00 C ATOM 43 C TRP A 4 -1.070 -10.760 -8.896 1.00 0.00 C ATOM 44 O TRP A 4 -1.871 -9.862 -8.650 1.00 0.00 O ATOM 45 CB TRP A 4 0.986 -9.324 -8.780 1.00 0.00 C ATOM 46 CG TRP A 4 2.470 -9.194 -9.151 1.00 0.00 C ATOM 47 CD1 TRP A 4 2.962 -8.658 -10.265 1.00 0.00 C ATOM 48 CD2 TRP A 4 3.557 -9.592 -8.379 1.00 0.00 C ATOM 49 NE1 TRP A 4 4.290 -8.698 -10.244 1.00 0.00 N ATOM 50 CE2 TRP A 4 4.702 -9.262 -9.111 1.00 0.00 C ATOM 51 CE3 TRP A 4 3.661 -10.264 -7.141 1.00 0.00 C ATOM 52 CZ2 TRP A 4 5.993 -9.606 -8.642 1.00 0.00 C ATOM 53 CZ3 TRP A 4 4.942 -10.628 -6.682 1.00 0.00 C ATOM 54 CH2 TRP A 4 6.099 -10.313 -7.424 1.00 0.00 C ATOM 0 H TRP A 4 0.030 -9.171 -11.168 1.00 0.00 H new ATOM 0 HA TRP A 4 0.913 -11.372 -9.423 1.00 0.00 H new ATOM 0 HB2 TRP A 4 0.473 -8.390 -9.012 1.00 0.00 H new ATOM 0 HB3 TRP A 4 0.895 -9.479 -7.705 1.00 0.00 H new ATOM 0 HD1 TRP A 4 2.368 -8.250 -11.069 1.00 0.00 H new ATOM 0 HE1 TRP A 4 4.900 -8.350 -10.983 1.00 0.00 H new ATOM 0 HE3 TRP A 4 2.780 -10.493 -6.560 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 6.875 -9.334 -9.202 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 5.040 -11.157 -5.746 1.00 0.00 H new ATOM 0 HH2 TRP A 4 7.070 -10.614 -7.059 1.00 0.00 H new ATOM 65 N THR A 5 -1.362 -12.050 -8.836 1.00 0.00 N ATOM 66 CA THR A 5 -2.667 -12.531 -8.360 1.00 0.00 C ATOM 67 C THR A 5 -2.573 -12.881 -6.862 1.00 0.00 C ATOM 68 O THR A 5 -1.622 -13.515 -6.400 1.00 0.00 O ATOM 69 CB THR A 5 -3.137 -13.737 -9.187 1.00 0.00 C ATOM 70 OG1 THR A 5 -2.861 -13.477 -10.563 1.00 0.00 O ATOM 71 CG2 THR A 5 -4.664 -13.912 -9.070 1.00 0.00 C ATOM 0 H THR A 5 -0.717 -12.791 -9.110 1.00 0.00 H new ATOM 0 HA THR A 5 -3.408 -11.741 -8.486 1.00 0.00 H new ATOM 0 HB THR A 5 -2.625 -14.627 -8.822 1.00 0.00 H new ATOM 0 HG1 THR A 5 -3.154 -14.239 -11.105 1.00 0.00 H new ATOM 0 HG21 THR A 5 -4.978 -14.771 -9.663 1.00 0.00 H new ATOM 0 HG22 THR A 5 -4.933 -14.073 -8.026 1.00 0.00 H new ATOM 0 HG23 THR A 5 -5.162 -13.015 -9.439 1.00 0.00 H new ATOM 79 N CYS A 6 -3.511 -12.316 -6.129 1.00 0.00 N ATOM 80 CA CYS A 6 -3.584 -12.388 -4.665 1.00 0.00 C ATOM 81 C CYS A 6 -4.917 -13.024 -4.252 1.00 0.00 C ATOM 82 O CYS A 6 -5.992 -12.564 -4.632 1.00 0.00 O ATOM 83 CB CYS A 6 -3.553 -10.957 -4.126 1.00 0.00 C ATOM 84 SG CYS A 6 -2.332 -9.814 -4.872 1.00 0.00 S ATOM 0 H CYS A 6 -4.272 -11.775 -6.539 1.00 0.00 H new ATOM 0 HA CYS A 6 -2.755 -12.979 -4.275 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -4.545 -10.525 -4.256 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -3.363 -11.003 -3.054 1.00 0.00 H new ATOM 89 N LEU A 7 -4.849 -14.084 -3.460 1.00 0.00 N ATOM 90 CA LEU A 7 -6.058 -14.776 -3.001 1.00 0.00 C ATOM 91 C LEU A 7 -6.544 -14.203 -1.659 1.00 0.00 C ATOM 92 O LEU A 7 -6.084 -14.572 -0.583 1.00 0.00 O ATOM 93 CB LEU A 7 -5.774 -16.274 -2.903 1.00 0.00 C ATOM 94 CG LEU A 7 -5.865 -16.924 -4.285 1.00 0.00 C ATOM 95 CD1 LEU A 7 -5.012 -18.196 -4.323 1.00 0.00 C ATOM 96 CD2 LEU A 7 -7.317 -17.242 -4.626 1.00 0.00 C ATOM 0 H LEU A 7 -3.976 -14.487 -3.120 1.00 0.00 H new ATOM 0 HA LEU A 7 -6.860 -14.619 -3.722 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.782 -16.436 -2.482 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -6.488 -16.743 -2.226 1.00 0.00 H new ATOM 0 HG LEU A 7 -5.483 -16.226 -5.030 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -5.083 -18.652 -5.310 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.973 -17.943 -4.114 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -5.373 -18.899 -3.572 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.366 -17.704 -5.612 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.723 -17.928 -3.883 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.901 -16.321 -4.627 1.00 0.00 H new ATOM 108 N ASN A 8 -7.367 -13.154 -1.778 1.00 0.00 N ATOM 109 CA ASN A 8 -7.920 -12.456 -0.605 1.00 0.00 C ATOM 110 C ASN A 8 -9.273 -13.052 -0.230 1.00 0.00 C ATOM 111 O ASN A 8 -10.030 -13.526 -1.080 1.00 0.00 O ATOM 112 CB ASN A 8 -8.077 -10.959 -0.868 1.00 0.00 C ATOM 113 CG ASN A 8 -6.777 -10.320 -1.344 1.00 0.00 C ATOM 114 OD1 ASN A 8 -5.660 -10.658 -0.752 1.00 0.00 O flip ATOM 115 ND2 ASN A 8 -6.721 -9.552 -2.290 1.00 0.00 N flip ATOM 0 H ASN A 8 -7.666 -12.768 -2.673 1.00 0.00 H new ATOM 0 HA ASN A 8 -7.219 -12.587 0.219 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -8.853 -10.803 -1.618 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -8.411 -10.464 0.044 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -7.576 -9.271 -2.770 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -5.819 -9.190 -2.601 1.00 0.00 H new ATOM 122 N ASP A 9 -9.578 -12.939 1.054 1.00 0.00 N ATOM 123 CA ASP A 9 -10.846 -13.477 1.567 1.00 0.00 C ATOM 124 C ASP A 9 -11.875 -12.340 1.700 1.00 0.00 C ATOM 125 O ASP A 9 -11.515 -11.207 1.978 1.00 0.00 O ATOM 126 CB ASP A 9 -10.485 -14.189 2.873 1.00 0.00 C ATOM 127 CG ASP A 9 -11.342 -15.411 3.220 1.00 0.00 C ATOM 128 OD1 ASP A 9 -11.976 -15.972 2.305 1.00 0.00 O ATOM 129 OD2 ASP A 9 -11.424 -15.694 4.435 1.00 0.00 O ATOM 0 H ASP A 9 -8.985 -12.491 1.753 1.00 0.00 H new ATOM 0 HA ASP A 9 -11.329 -14.195 0.904 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -9.442 -14.502 2.819 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -10.560 -13.471 3.690 1.00 0.00 H new ATOM 134 N GLN A 10 -13.135 -12.639 1.406 1.00 0.00 N ATOM 135 CA GLN A 10 -14.266 -11.674 1.455 1.00 0.00 C ATOM 136 C GLN A 10 -15.512 -12.257 2.122 1.00 0.00 C ATOM 137 O GLN A 10 -16.012 -13.295 1.698 1.00 0.00 O ATOM 138 CB GLN A 10 -14.614 -11.194 0.046 1.00 0.00 C ATOM 139 CG GLN A 10 -13.736 -9.982 -0.291 1.00 0.00 C ATOM 140 CD GLN A 10 -13.877 -9.567 -1.749 1.00 0.00 C ATOM 141 OE1 GLN A 10 -14.952 -9.522 -2.333 1.00 0.00 O ATOM 142 NE2 GLN A 10 -12.757 -9.226 -2.360 1.00 0.00 N ATOM 0 H GLN A 10 -13.422 -13.575 1.119 1.00 0.00 H new ATOM 0 HA GLN A 10 -13.934 -10.833 2.064 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -14.449 -11.993 -0.677 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -15.669 -10.925 -0.012 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -14.009 -9.146 0.353 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -12.693 -10.219 -0.080 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -11.869 -9.269 -1.859 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -12.780 -8.920 -3.333 1.00 0.00 H new ATOM 151 N LYS A 11 -15.849 -11.674 3.277 1.00 0.00 N ATOM 152 CA LYS A 11 -17.022 -12.081 4.068 1.00 0.00 C ATOM 153 C LYS A 11 -18.267 -11.452 3.457 1.00 0.00 C ATOM 154 O LYS A 11 -18.735 -10.383 3.853 1.00 0.00 O ATOM 155 CB LYS A 11 -16.871 -11.667 5.530 1.00 0.00 C ATOM 156 CG LYS A 11 -18.002 -12.210 6.409 1.00 0.00 C ATOM 157 CD LYS A 11 -18.279 -11.216 7.534 1.00 0.00 C ATOM 158 CE LYS A 11 -18.880 -11.907 8.747 1.00 0.00 C ATOM 159 NZ LYS A 11 -20.166 -11.277 9.107 1.00 0.00 N ATOM 0 H LYS A 11 -15.319 -10.908 3.692 1.00 0.00 H new ATOM 0 HA LYS A 11 -17.110 -13.167 4.047 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -15.915 -12.026 5.910 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -16.852 -10.579 5.597 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -18.901 -12.364 5.813 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -17.725 -13.179 6.823 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -17.352 -10.718 7.819 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -18.960 -10.442 7.179 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -19.032 -12.965 8.534 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -18.189 -11.847 9.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -20.568 -11.757 9.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -20.010 -10.273 9.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -20.827 -11.356 8.308 1.00 0.00 H new ATOM 173 N ASN A 12 -18.723 -12.120 2.407 1.00 0.00 N ATOM 174 CA ASN A 12 -19.901 -11.668 1.651 1.00 0.00 C ATOM 175 C ASN A 12 -21.097 -11.601 2.613 1.00 0.00 C ATOM 176 O ASN A 12 -21.352 -12.608 3.260 1.00 0.00 O ATOM 177 CB ASN A 12 -20.212 -12.647 0.524 1.00 0.00 C ATOM 178 CG ASN A 12 -20.777 -11.880 -0.666 1.00 0.00 C ATOM 179 OD1 ASN A 12 -20.371 -10.775 -0.992 1.00 0.00 O ATOM 180 ND2 ASN A 12 -21.782 -12.420 -1.307 1.00 0.00 N ATOM 0 H ASN A 12 -18.301 -12.978 2.053 1.00 0.00 H new ATOM 0 HA ASN A 12 -19.704 -10.688 1.217 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -19.308 -13.182 0.231 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -20.929 -13.395 0.863 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -22.225 -11.918 -2.077 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -22.123 -13.343 -1.037 1.00 0.00 H new ATOM 187 N PRO A 13 -21.778 -10.456 2.749 1.00 0.00 N ATOM 188 CA PRO A 13 -22.933 -10.312 3.657 1.00 0.00 C ATOM 189 C PRO A 13 -24.168 -11.094 3.189 1.00 0.00 C ATOM 190 O PRO A 13 -24.895 -11.635 4.014 1.00 0.00 O ATOM 191 CB PRO A 13 -23.178 -8.809 3.736 1.00 0.00 C ATOM 192 CG PRO A 13 -22.680 -8.287 2.394 1.00 0.00 C ATOM 193 CD PRO A 13 -21.500 -9.191 2.038 1.00 0.00 C ATOM 0 HA PRO A 13 -22.726 -10.740 4.638 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -24.234 -8.583 3.886 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -22.635 -8.359 4.567 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -23.461 -8.338 1.635 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -22.372 -7.244 2.465 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -21.430 -9.347 0.962 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -20.554 -8.754 2.359 1.00 0.00 H new ATOM 201 N LYS A 14 -24.273 -11.304 1.883 1.00 0.00 N ATOM 202 CA LYS A 14 -25.377 -12.079 1.261 1.00 0.00 C ATOM 203 C LYS A 14 -25.377 -13.532 1.775 1.00 0.00 C ATOM 204 O LYS A 14 -26.420 -14.057 2.164 1.00 0.00 O ATOM 205 CB LYS A 14 -25.210 -12.026 -0.261 1.00 0.00 C ATOM 206 CG LYS A 14 -26.244 -12.867 -1.042 1.00 0.00 C ATOM 207 CD LYS A 14 -27.681 -12.355 -0.902 1.00 0.00 C ATOM 208 CE LYS A 14 -28.186 -11.887 -2.259 1.00 0.00 C ATOM 209 NZ LYS A 14 -29.634 -12.095 -2.333 1.00 0.00 N ATOM 0 H LYS A 14 -23.598 -10.945 1.208 1.00 0.00 H new ATOM 0 HA LYS A 14 -26.338 -11.643 1.533 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -25.282 -10.988 -0.587 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -24.209 -12.372 -0.518 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -25.971 -12.875 -2.097 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -26.199 -13.899 -0.693 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -28.324 -13.145 -0.515 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -27.718 -11.535 -0.185 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -27.950 -10.833 -2.404 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -27.686 -12.438 -3.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -29.984 -11.776 -3.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -29.846 -13.106 -2.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -30.102 -11.551 -1.580 1.00 0.00 H new ATOM 223 N THR A 15 -24.197 -14.129 1.763 1.00 0.00 N ATOM 224 CA THR A 15 -24.024 -15.532 2.213 1.00 0.00 C ATOM 225 C THR A 15 -23.476 -15.624 3.647 1.00 0.00 C ATOM 226 O THR A 15 -23.274 -16.728 4.143 1.00 0.00 O ATOM 227 CB THR A 15 -23.101 -16.270 1.242 1.00 0.00 C ATOM 228 OG1 THR A 15 -21.822 -15.617 1.225 1.00 0.00 O ATOM 229 CG2 THR A 15 -23.696 -16.352 -0.168 1.00 0.00 C ATOM 0 H THR A 15 -23.336 -13.679 1.450 1.00 0.00 H new ATOM 0 HA THR A 15 -25.007 -16.002 2.220 1.00 0.00 H new ATOM 0 HB THR A 15 -22.983 -17.297 1.587 1.00 0.00 H new ATOM 0 HG1 THR A 15 -21.224 -16.085 0.606 1.00 0.00 H new ATOM 0 HG21 THR A 15 -23.007 -16.884 -0.823 1.00 0.00 H new ATOM 0 HG22 THR A 15 -24.646 -16.885 -0.132 1.00 0.00 H new ATOM 0 HG23 THR A 15 -23.859 -15.345 -0.553 1.00 0.00 H new ATOM 237 N ASN A 16 -23.165 -14.468 4.238 1.00 0.00 N ATOM 238 CA ASN A 16 -22.484 -14.307 5.546 1.00 0.00 C ATOM 239 C ASN A 16 -21.265 -15.231 5.723 1.00 0.00 C ATOM 240 O ASN A 16 -20.882 -15.602 6.831 1.00 0.00 O ATOM 241 CB ASN A 16 -23.537 -14.436 6.642 1.00 0.00 C ATOM 242 CG ASN A 16 -23.545 -13.217 7.568 1.00 0.00 C ATOM 243 OD1 ASN A 16 -23.462 -12.060 7.167 1.00 0.00 O ATOM 244 ND2 ASN A 16 -23.647 -13.490 8.843 1.00 0.00 N ATOM 0 H ASN A 16 -23.387 -13.571 3.806 1.00 0.00 H new ATOM 0 HA ASN A 16 -22.037 -13.315 5.606 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -24.521 -14.555 6.189 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -23.345 -15.336 7.227 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -23.659 -12.734 9.527 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -23.715 -14.459 9.153 1.00 0.00 H new ATOM 251 N LYS A 17 -20.642 -15.524 4.584 1.00 0.00 N ATOM 252 CA LYS A 17 -19.525 -16.463 4.478 1.00 0.00 C ATOM 253 C LYS A 17 -18.323 -15.835 3.775 1.00 0.00 C ATOM 254 O LYS A 17 -18.445 -14.982 2.901 1.00 0.00 O ATOM 255 CB LYS A 17 -19.951 -17.742 3.739 1.00 0.00 C ATOM 256 CG LYS A 17 -19.903 -18.926 4.714 1.00 0.00 C ATOM 257 CD LYS A 17 -19.797 -20.261 3.977 1.00 0.00 C ATOM 258 CE LYS A 17 -19.703 -21.420 4.967 1.00 0.00 C ATOM 259 NZ LYS A 17 -19.641 -22.689 4.233 1.00 0.00 N ATOM 0 H LYS A 17 -20.904 -15.108 3.690 1.00 0.00 H new ATOM 0 HA LYS A 17 -19.228 -16.722 5.494 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -20.958 -17.626 3.337 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -19.289 -17.925 2.892 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -19.051 -18.811 5.384 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -20.799 -18.923 5.335 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -20.666 -20.396 3.333 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -18.919 -20.256 3.331 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -18.818 -21.306 5.593 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -20.566 -21.415 5.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -19.577 -23.478 4.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -20.498 -22.797 3.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -18.804 -22.693 3.616 1.00 0.00 H new ATOM 273 N TYR A 18 -17.175 -16.378 4.155 1.00 0.00 N ATOM 274 CA TYR A 18 -15.870 -15.950 3.644 1.00 0.00 C ATOM 275 C TYR A 18 -15.429 -16.761 2.429 1.00 0.00 C ATOM 276 O TYR A 18 -15.518 -17.994 2.420 1.00 0.00 O ATOM 277 CB TYR A 18 -14.838 -16.056 4.778 1.00 0.00 C ATOM 278 CG TYR A 18 -14.361 -14.680 5.263 1.00 0.00 C ATOM 279 CD1 TYR A 18 -13.758 -13.820 4.329 1.00 0.00 C ATOM 280 CD2 TYR A 18 -14.385 -14.356 6.641 1.00 0.00 C ATOM 281 CE1 TYR A 18 -13.154 -12.627 4.761 1.00 0.00 C ATOM 282 CE2 TYR A 18 -13.782 -13.154 7.077 1.00 0.00 C ATOM 283 CZ TYR A 18 -13.172 -12.308 6.125 1.00 0.00 C ATOM 284 OH TYR A 18 -12.643 -11.100 6.463 1.00 0.00 O ATOM 0 H TYR A 18 -17.117 -17.137 4.834 1.00 0.00 H new ATOM 0 HA TYR A 18 -15.951 -14.916 3.308 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -15.275 -16.602 5.614 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -13.981 -16.634 4.433 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -13.759 -14.076 3.280 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -14.858 -15.019 7.350 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -12.682 -11.965 4.051 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -13.788 -12.887 8.123 1.00 0.00 H new ATOM 0 HH TYR A 18 -13.095 -10.757 7.262 1.00 0.00 H new ATOM 294 N GLU A 19 -15.154 -16.024 1.364 1.00 0.00 N ATOM 295 CA GLU A 19 -14.763 -16.627 0.069 1.00 0.00 C ATOM 296 C GLU A 19 -13.373 -16.113 -0.332 1.00 0.00 C ATOM 297 O GLU A 19 -13.071 -14.934 -0.163 1.00 0.00 O ATOM 298 CB GLU A 19 -15.748 -16.243 -1.045 1.00 0.00 C ATOM 299 CG GLU A 19 -17.218 -16.249 -0.586 1.00 0.00 C ATOM 300 CD GLU A 19 -18.214 -16.165 -1.733 1.00 0.00 C ATOM 301 OE1 GLU A 19 -18.111 -17.011 -2.646 1.00 0.00 O ATOM 302 OE2 GLU A 19 -19.120 -15.313 -1.636 1.00 0.00 O ATOM 0 H GLU A 19 -15.190 -15.005 1.356 1.00 0.00 H new ATOM 0 HA GLU A 19 -14.763 -17.710 0.191 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -15.495 -15.251 -1.418 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -15.632 -16.936 -1.878 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -17.408 -17.159 -0.016 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -17.383 -15.409 0.089 1.00 0.00 H new ATOM 309 N THR A 20 -12.624 -16.972 -1.007 1.00 0.00 N ATOM 310 CA THR A 20 -11.245 -16.657 -1.421 1.00 0.00 C ATOM 311 C THR A 20 -11.210 -16.288 -2.906 1.00 0.00 C ATOM 312 O THR A 20 -11.091 -17.126 -3.803 1.00 0.00 O ATOM 313 CB THR A 20 -10.309 -17.828 -1.086 1.00 0.00 C ATOM 314 OG1 THR A 20 -10.509 -18.190 0.283 1.00 0.00 O ATOM 315 CG2 THR A 20 -8.836 -17.450 -1.271 1.00 0.00 C ATOM 0 H THR A 20 -12.941 -17.900 -1.286 1.00 0.00 H new ATOM 0 HA THR A 20 -10.887 -15.790 -0.865 1.00 0.00 H new ATOM 0 HB THR A 20 -10.541 -18.652 -1.760 1.00 0.00 H new ATOM 0 HG1 THR A 20 -10.930 -17.445 0.760 1.00 0.00 H new ATOM 0 HG21 THR A 20 -8.207 -18.305 -1.024 1.00 0.00 H new ATOM 0 HG22 THR A 20 -8.662 -17.159 -2.307 1.00 0.00 H new ATOM 0 HG23 THR A 20 -8.589 -16.616 -0.614 1.00 0.00 H new ATOM 323 N LYS A 21 -11.445 -14.994 -3.109 1.00 0.00 N ATOM 324 CA LYS A 21 -11.502 -14.359 -4.440 1.00 0.00 C ATOM 325 C LYS A 21 -10.080 -14.216 -4.995 1.00 0.00 C ATOM 326 O LYS A 21 -9.111 -14.117 -4.250 1.00 0.00 O ATOM 327 CB LYS A 21 -12.190 -12.994 -4.336 1.00 0.00 C ATOM 328 CG LYS A 21 -13.511 -13.046 -3.539 1.00 0.00 C ATOM 329 CD LYS A 21 -14.716 -12.673 -4.401 1.00 0.00 C ATOM 330 CE LYS A 21 -15.952 -13.447 -3.932 1.00 0.00 C ATOM 331 NZ LYS A 21 -16.609 -13.977 -5.131 1.00 0.00 N ATOM 0 H LYS A 21 -11.605 -14.338 -2.344 1.00 0.00 H new ATOM 0 HA LYS A 21 -12.082 -14.981 -5.122 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -11.512 -12.286 -3.859 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -12.391 -12.617 -5.339 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -13.651 -14.049 -3.135 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -13.449 -12.366 -2.690 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -14.902 -11.601 -4.337 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.510 -12.899 -5.447 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -15.668 -14.256 -3.259 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -16.628 -12.795 -3.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -17.457 -14.512 -4.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -16.883 -13.190 -5.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -15.953 -14.606 -5.637 1.00 0.00 H new ATOM 345 N ARG A 22 -9.985 -14.191 -6.330 1.00 0.00 N ATOM 346 CA ARG A 22 -8.695 -14.036 -7.029 1.00 0.00 C ATOM 347 C ARG A 22 -8.467 -12.589 -7.463 1.00 0.00 C ATOM 348 O ARG A 22 -8.981 -12.119 -8.487 1.00 0.00 O ATOM 349 CB ARG A 22 -8.603 -14.960 -8.245 1.00 0.00 C ATOM 350 CG ARG A 22 -8.284 -16.395 -7.850 1.00 0.00 C ATOM 351 CD ARG A 22 -7.941 -17.241 -9.075 1.00 0.00 C ATOM 352 NE ARG A 22 -7.248 -18.478 -8.664 1.00 0.00 N ATOM 353 CZ ARG A 22 -6.597 -19.299 -9.486 1.00 0.00 C ATOM 354 NH1 ARG A 22 -6.500 -19.050 -10.787 1.00 0.00 N ATOM 355 NH2 ARG A 22 -5.995 -20.379 -9.014 1.00 0.00 N ATOM 0 H ARG A 22 -10.788 -14.276 -6.954 1.00 0.00 H new ATOM 0 HA ARG A 22 -7.916 -14.315 -6.320 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -9.546 -14.936 -8.791 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -7.833 -14.591 -8.923 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -7.447 -16.405 -7.152 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -9.138 -16.831 -7.331 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -8.851 -17.490 -9.620 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -7.308 -16.670 -9.755 1.00 0.00 H new ATOM 0 HE ARG A 22 -7.269 -18.723 -7.674 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -6.930 -18.213 -11.179 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -5.995 -19.696 -11.394 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -6.028 -20.586 -8.016 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -5.498 -21.004 -9.648 1.00 0.00 H new ATOM 369 N LEU A 23 -7.710 -11.881 -6.647 1.00 0.00 N ATOM 370 CA LEU A 23 -7.364 -10.480 -6.900 1.00 0.00 C ATOM 371 C LEU A 23 -6.153 -10.373 -7.834 1.00 0.00 C ATOM 372 O LEU A 23 -4.997 -10.418 -7.413 1.00 0.00 O ATOM 373 CB LEU A 23 -7.129 -9.746 -5.571 1.00 0.00 C ATOM 374 CG LEU A 23 -8.121 -8.590 -5.443 1.00 0.00 C ATOM 375 CD1 LEU A 23 -9.532 -9.085 -5.120 1.00 0.00 C ATOM 376 CD2 LEU A 23 -7.675 -7.632 -4.339 1.00 0.00 C ATOM 0 H LEU A 23 -7.312 -12.255 -5.785 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.199 -9.997 -7.407 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.249 -10.436 -4.736 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.107 -9.369 -5.528 1.00 0.00 H new ATOM 0 HG LEU A 23 -8.142 -8.077 -6.405 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -10.207 -8.233 -5.037 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -9.877 -9.745 -5.916 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -9.519 -9.630 -4.176 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.390 -6.813 -4.257 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.627 -8.167 -3.391 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.690 -7.232 -4.580 1.00 0.00 H new ATOM 388 N LEU A 24 -6.476 -10.425 -9.122 1.00 0.00 N ATOM 389 CA LEU A 24 -5.490 -10.280 -10.201 1.00 0.00 C ATOM 390 C LEU A 24 -5.148 -8.808 -10.414 1.00 0.00 C ATOM 391 O LEU A 24 -6.016 -7.945 -10.606 1.00 0.00 O ATOM 392 CB LEU A 24 -5.965 -11.073 -11.442 1.00 0.00 C ATOM 393 CG LEU A 24 -5.543 -10.629 -12.850 1.00 0.00 C ATOM 394 CD1 LEU A 24 -6.431 -9.501 -13.396 1.00 0.00 C ATOM 395 CD2 LEU A 24 -4.062 -10.272 -12.962 1.00 0.00 C ATOM 0 H LEU A 24 -7.430 -10.569 -9.454 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.532 -10.729 -9.938 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.632 -12.103 -11.314 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.055 -11.085 -11.420 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.693 -11.506 -13.480 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.093 -9.222 -14.394 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.465 -9.843 -13.446 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.367 -8.636 -12.736 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.837 -9.968 -13.984 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.833 -9.452 -12.281 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.458 -11.141 -12.701 1.00 0.00 H new ATOM 407 N TYR A 25 -3.852 -8.556 -10.290 1.00 0.00 N ATOM 408 CA TYR A 25 -3.244 -7.233 -10.487 1.00 0.00 C ATOM 409 C TYR A 25 -2.260 -7.252 -11.657 1.00 0.00 C ATOM 410 O TYR A 25 -1.702 -8.292 -11.993 1.00 0.00 O ATOM 411 CB TYR A 25 -2.505 -6.806 -9.216 1.00 0.00 C ATOM 412 CG TYR A 25 -3.471 -6.342 -8.138 1.00 0.00 C ATOM 413 CD1 TYR A 25 -4.298 -7.270 -7.489 1.00 0.00 C ATOM 414 CD2 TYR A 25 -3.484 -4.968 -7.820 1.00 0.00 C ATOM 415 CE1 TYR A 25 -5.206 -6.803 -6.525 1.00 0.00 C ATOM 416 CE2 TYR A 25 -4.370 -4.517 -6.825 1.00 0.00 C ATOM 417 CZ TYR A 25 -5.231 -5.436 -6.190 1.00 0.00 C ATOM 418 OH TYR A 25 -6.112 -4.987 -5.256 1.00 0.00 O ATOM 0 H TYR A 25 -3.173 -9.277 -10.044 1.00 0.00 H new ATOM 0 HA TYR A 25 -4.041 -6.524 -10.710 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -1.913 -7.641 -8.840 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -1.808 -6.002 -9.452 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -4.238 -8.322 -7.726 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -2.828 -4.277 -8.329 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -5.884 -7.491 -6.042 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -4.391 -3.473 -6.549 1.00 0.00 H new ATOM 0 HH TYR A 25 -5.860 -4.082 -4.976 1.00 0.00 H new ATOM 428 N ASN A 26 -1.902 -6.058 -12.090 1.00 0.00 N ATOM 429 CA ASN A 26 -0.902 -5.910 -13.141 1.00 0.00 C ATOM 430 C ASN A 26 0.281 -5.092 -12.613 1.00 0.00 C ATOM 431 O ASN A 26 0.112 -3.969 -12.118 1.00 0.00 O ATOM 432 CB ASN A 26 -1.527 -5.192 -14.342 1.00 0.00 C ATOM 433 CG ASN A 26 -1.232 -5.977 -15.621 1.00 0.00 C ATOM 434 OD1 ASN A 26 -0.158 -5.656 -16.292 1.00 0.00 O flip ATOM 435 ND2 ASN A 26 -1.957 -6.869 -16.027 1.00 0.00 N flip ATOM 0 H ASN A 26 -2.283 -5.180 -11.736 1.00 0.00 H new ATOM 0 HA ASN A 26 -0.551 -6.895 -13.449 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -2.604 -5.098 -14.202 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -1.126 -4.182 -14.423 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -2.796 -7.122 -15.505 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -1.724 -7.363 -16.889 1.00 0.00 H new ATOM 442 N GLN A 27 1.476 -5.646 -12.753 1.00 0.00 N ATOM 443 CA GLN A 27 2.711 -4.967 -12.330 1.00 0.00 C ATOM 444 C GLN A 27 2.859 -3.608 -13.006 1.00 0.00 C ATOM 445 O GLN A 27 3.220 -2.659 -12.334 1.00 0.00 O ATOM 446 CB GLN A 27 3.949 -5.819 -12.580 1.00 0.00 C ATOM 447 CG GLN A 27 5.217 -5.097 -12.108 1.00 0.00 C ATOM 448 CD GLN A 27 6.161 -4.630 -13.224 1.00 0.00 C ATOM 449 OE1 GLN A 27 5.644 -4.117 -14.319 1.00 0.00 O flip ATOM 450 NE2 GLN A 27 7.376 -4.700 -13.099 1.00 0.00 N flip ATOM 0 H GLN A 27 1.626 -6.570 -13.158 1.00 0.00 H new ATOM 0 HA GLN A 27 2.626 -4.811 -11.254 1.00 0.00 H new ATOM 0 HB2 GLN A 27 3.852 -6.770 -12.057 1.00 0.00 H new ATOM 0 HB3 GLN A 27 4.030 -6.046 -13.643 1.00 0.00 H new ATOM 0 HG2 GLN A 27 4.922 -4.229 -11.517 1.00 0.00 H new ATOM 0 HG3 GLN A 27 5.768 -5.763 -11.444 1.00 0.00 H new ATOM 0 HE21 GLN A 27 7.779 -5.097 -12.251 1.00 0.00 H new ATOM 0 HE22 GLN A 27 7.986 -4.361 -13.843 1.00 0.00 H new ATOM 459 N ASN A 28 2.599 -3.526 -14.313 1.00 0.00 N ATOM 460 CA ASN A 28 2.565 -2.242 -15.054 1.00 0.00 C ATOM 461 C ASN A 28 1.832 -1.135 -14.277 1.00 0.00 C ATOM 462 O ASN A 28 2.390 -0.070 -14.044 1.00 0.00 O ATOM 463 CB ASN A 28 1.957 -2.429 -16.443 1.00 0.00 C ATOM 464 CG ASN A 28 1.680 -1.105 -17.177 1.00 0.00 C ATOM 465 OD1 ASN A 28 0.600 -1.084 -17.927 1.00 0.00 O flip ATOM 466 ND2 ASN A 28 2.329 -0.090 -17.005 1.00 0.00 N flip ATOM 0 H ASN A 28 2.405 -4.341 -14.896 1.00 0.00 H new ATOM 0 HA ASN A 28 3.599 -1.916 -15.170 1.00 0.00 H new ATOM 0 HB2 ASN A 28 2.632 -3.036 -17.047 1.00 0.00 H new ATOM 0 HB3 ASN A 28 1.024 -2.986 -16.350 1.00 0.00 H new ATOM 0 HD21 ASN A 28 3.166 -0.112 -16.422 1.00 0.00 H new ATOM 0 HD22 ASN A 28 2.036 0.783 -17.444 1.00 0.00 H new ATOM 473 N LYS A 29 0.791 -1.544 -13.574 1.00 0.00 N ATOM 474 CA LYS A 29 -0.035 -0.634 -12.762 1.00 0.00 C ATOM 475 C LYS A 29 0.580 -0.378 -11.386 1.00 0.00 C ATOM 476 O LYS A 29 0.790 0.759 -11.033 1.00 0.00 O ATOM 477 CB LYS A 29 -1.431 -1.216 -12.699 1.00 0.00 C ATOM 478 CG LYS A 29 -2.187 -0.816 -13.974 1.00 0.00 C ATOM 479 CD LYS A 29 -1.717 -1.357 -15.325 1.00 0.00 C ATOM 480 CE LYS A 29 -2.660 -0.846 -16.412 1.00 0.00 C ATOM 481 NZ LYS A 29 -1.901 0.008 -17.342 1.00 0.00 N ATOM 0 H LYS A 29 0.484 -2.516 -13.542 1.00 0.00 H new ATOM 0 HA LYS A 29 -0.083 0.352 -13.223 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.385 -2.302 -12.612 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.955 -0.847 -11.817 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.227 -1.115 -13.845 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.174 0.272 -14.035 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -0.696 -1.033 -15.527 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -1.709 -2.447 -15.313 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -3.106 -1.684 -16.948 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -3.479 -0.282 -15.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -2.499 0.250 -18.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -1.611 0.880 -16.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -1.057 -0.502 -17.671 1.00 0.00 H new ATOM 495 N ALA A 30 1.082 -1.432 -10.746 1.00 0.00 N ATOM 496 CA ALA A 30 1.839 -1.319 -9.481 1.00 0.00 C ATOM 497 C ALA A 30 3.105 -0.460 -9.623 1.00 0.00 C ATOM 498 O ALA A 30 3.289 0.493 -8.861 1.00 0.00 O ATOM 499 CB ALA A 30 2.165 -2.745 -9.042 1.00 0.00 C ATOM 0 H ALA A 30 0.981 -2.390 -11.081 1.00 0.00 H new ATOM 0 HA ALA A 30 1.241 -0.805 -8.729 1.00 0.00 H new ATOM 0 HB1 ALA A 30 2.726 -2.719 -8.108 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.239 -3.301 -8.893 1.00 0.00 H new ATOM 0 HB3 ALA A 30 2.763 -3.235 -9.811 1.00 0.00 H new ATOM 505 N GLU A 31 3.890 -0.721 -10.672 1.00 0.00 N ATOM 506 CA GLU A 31 5.093 0.062 -11.015 1.00 0.00 C ATOM 507 C GLU A 31 4.732 1.503 -11.420 1.00 0.00 C ATOM 508 O GLU A 31 5.334 2.448 -10.945 1.00 0.00 O ATOM 509 CB GLU A 31 5.967 -0.635 -12.079 1.00 0.00 C ATOM 510 CG GLU A 31 5.438 -0.676 -13.517 1.00 0.00 C ATOM 511 CD GLU A 31 5.587 0.627 -14.322 1.00 0.00 C ATOM 512 OE1 GLU A 31 6.696 1.194 -14.295 1.00 0.00 O ATOM 513 OE2 GLU A 31 4.613 0.979 -15.016 1.00 0.00 O ATOM 0 H GLU A 31 3.711 -1.490 -11.318 1.00 0.00 H new ATOM 0 HA GLU A 31 5.700 0.120 -10.111 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.938 -0.140 -12.092 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.137 -1.662 -11.754 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.955 -1.473 -14.052 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.382 -0.945 -13.488 1.00 0.00 H new ATOM 520 N SER A 32 3.642 1.684 -12.178 1.00 0.00 N ATOM 521 CA SER A 32 3.177 3.019 -12.605 1.00 0.00 C ATOM 522 C SER A 32 2.616 3.844 -11.435 1.00 0.00 C ATOM 523 O SER A 32 3.077 4.944 -11.163 1.00 0.00 O ATOM 524 CB SER A 32 2.123 2.888 -13.705 1.00 0.00 C ATOM 525 OG SER A 32 1.663 4.173 -14.110 1.00 0.00 O ATOM 0 H SER A 32 3.058 0.917 -12.513 1.00 0.00 H new ATOM 0 HA SER A 32 4.045 3.551 -12.993 1.00 0.00 H new ATOM 0 HB2 SER A 32 2.545 2.360 -14.560 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.285 2.292 -13.344 1.00 0.00 H new ATOM 0 HG SER A 32 0.990 4.072 -14.815 1.00 0.00 H new ATOM 531 N ASN A 33 1.756 3.203 -10.638 1.00 0.00 N ATOM 532 CA ASN A 33 1.185 3.749 -9.392 1.00 0.00 C ATOM 533 C ASN A 33 2.280 4.216 -8.432 1.00 0.00 C ATOM 534 O ASN A 33 2.250 5.348 -7.956 1.00 0.00 O ATOM 535 CB ASN A 33 0.355 2.683 -8.677 1.00 0.00 C ATOM 536 CG ASN A 33 -1.142 2.749 -9.017 1.00 0.00 C ATOM 537 OD1 ASN A 33 -1.603 3.363 -9.959 1.00 0.00 O ATOM 538 ND2 ASN A 33 -1.939 2.172 -8.148 1.00 0.00 N ATOM 0 H ASN A 33 1.425 2.261 -10.844 1.00 0.00 H new ATOM 0 HA ASN A 33 0.561 4.598 -9.672 1.00 0.00 H new ATOM 0 HB2 ASN A 33 0.737 1.697 -8.941 1.00 0.00 H new ATOM 0 HB3 ASN A 33 0.481 2.796 -7.600 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -2.951 2.238 -8.262 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -1.547 1.658 -7.359 1.00 0.00 H new ATOM 545 N SER A 34 3.276 3.349 -8.220 1.00 0.00 N ATOM 546 CA SER A 34 4.462 3.681 -7.422 1.00 0.00 C ATOM 547 C SER A 34 5.265 4.850 -8.007 1.00 0.00 C ATOM 548 O SER A 34 5.413 5.849 -7.309 1.00 0.00 O ATOM 549 CB SER A 34 5.379 2.485 -7.188 1.00 0.00 C ATOM 550 OG SER A 34 5.626 1.694 -8.335 1.00 0.00 O ATOM 0 H SER A 34 3.283 2.401 -8.595 1.00 0.00 H new ATOM 0 HA SER A 34 4.066 3.992 -6.455 1.00 0.00 H new ATOM 0 HB2 SER A 34 6.332 2.846 -6.801 1.00 0.00 H new ATOM 0 HB3 SER A 34 4.939 1.853 -6.416 1.00 0.00 H new ATOM 0 HG SER A 34 4.837 1.147 -8.531 1.00 0.00 H new ATOM 556 N HIS A 35 5.425 4.840 -9.327 1.00 0.00 N ATOM 557 CA HIS A 35 6.056 5.931 -10.099 1.00 0.00 C ATOM 558 C HIS A 35 5.262 7.252 -10.120 1.00 0.00 C ATOM 559 O HIS A 35 5.771 8.292 -10.518 1.00 0.00 O ATOM 560 CB HIS A 35 6.374 5.460 -11.524 1.00 0.00 C ATOM 561 CG HIS A 35 7.440 4.345 -11.638 1.00 0.00 C ATOM 562 ND1 HIS A 35 7.852 3.804 -12.780 1.00 0.00 N ATOM 563 CD2 HIS A 35 8.071 3.697 -10.659 1.00 0.00 C ATOM 564 CE1 HIS A 35 8.707 2.834 -12.522 1.00 0.00 C ATOM 565 NE2 HIS A 35 8.842 2.767 -11.198 1.00 0.00 N ATOM 0 H HIS A 35 5.117 4.063 -9.911 1.00 0.00 H new ATOM 0 HA HIS A 35 6.980 6.168 -9.571 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.452 5.105 -11.984 1.00 0.00 H new ATOM 0 HB3 HIS A 35 6.709 6.319 -12.105 1.00 0.00 H new ATOM 0 HD2 HIS A 35 7.970 3.898 -9.603 1.00 0.00 H new ATOM 0 HE1 HIS A 35 9.205 2.210 -13.249 1.00 0.00 H new ATOM 0 HE2 HIS A 35 9.436 2.113 -10.689 1.00 0.00 H new ATOM 574 N HIS A 36 4.023 7.175 -9.643 1.00 0.00 N ATOM 575 CA HIS A 36 3.097 8.316 -9.463 1.00 0.00 C ATOM 576 C HIS A 36 3.043 8.789 -8.000 1.00 0.00 C ATOM 577 O HIS A 36 2.895 9.973 -7.727 1.00 0.00 O ATOM 578 CB HIS A 36 1.709 7.897 -9.955 1.00 0.00 C ATOM 579 CG HIS A 36 1.245 8.727 -11.154 1.00 0.00 C ATOM 580 ND1 HIS A 36 0.286 9.642 -11.120 1.00 0.00 N ATOM 581 CD2 HIS A 36 1.713 8.673 -12.401 1.00 0.00 C ATOM 582 CE1 HIS A 36 0.158 10.166 -12.340 1.00 0.00 C ATOM 583 NE2 HIS A 36 1.048 9.565 -13.122 1.00 0.00 N ATOM 0 H HIS A 36 3.610 6.287 -9.357 1.00 0.00 H new ATOM 0 HA HIS A 36 3.460 9.162 -10.046 1.00 0.00 H new ATOM 0 HB2 HIS A 36 1.726 6.842 -10.230 1.00 0.00 H new ATOM 0 HB3 HIS A 36 0.990 8.003 -9.142 1.00 0.00 H new ATOM 0 HD2 HIS A 36 2.494 8.019 -12.760 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -0.539 10.936 -12.637 1.00 0.00 H new ATOM 0 HE2 HIS A 36 1.195 9.758 -14.113 1.00 0.00 H new ATOM 592 N ALA A 37 3.164 7.836 -7.077 1.00 0.00 N ATOM 593 CA ALA A 37 3.237 8.071 -5.632 1.00 0.00 C ATOM 594 C ALA A 37 4.584 8.730 -5.253 1.00 0.00 C ATOM 595 O ALA A 37 5.633 8.310 -5.738 1.00 0.00 O ATOM 596 CB ALA A 37 3.061 6.743 -4.898 1.00 0.00 C ATOM 0 H ALA A 37 3.216 6.847 -7.320 1.00 0.00 H new ATOM 0 HA ALA A 37 2.439 8.753 -5.338 1.00 0.00 H new ATOM 0 HB1 ALA A 37 3.114 6.912 -3.822 1.00 0.00 H new ATOM 0 HB2 ALA A 37 2.091 6.314 -5.150 1.00 0.00 H new ATOM 0 HB3 ALA A 37 3.851 6.055 -5.197 1.00 0.00 H new ATOM 602 N PRO A 38 4.552 9.803 -4.449 1.00 0.00 N ATOM 603 CA PRO A 38 5.759 10.509 -3.992 1.00 0.00 C ATOM 604 C PRO A 38 6.454 9.626 -2.971 1.00 0.00 C ATOM 605 O PRO A 38 5.838 9.071 -2.071 1.00 0.00 O ATOM 606 CB PRO A 38 5.268 11.813 -3.371 1.00 0.00 C ATOM 607 CG PRO A 38 3.866 11.496 -2.863 1.00 0.00 C ATOM 608 CD PRO A 38 3.358 10.425 -3.840 1.00 0.00 C ATOM 0 HA PRO A 38 6.470 10.724 -4.790 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.920 12.135 -2.559 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.251 12.619 -4.105 1.00 0.00 H new ATOM 0 HG2 PRO A 38 3.886 11.126 -1.838 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.228 12.380 -2.871 1.00 0.00 H new ATOM 0 HD2 PRO A 38 2.757 9.680 -3.319 1.00 0.00 H new ATOM 0 HD3 PRO A 38 2.721 10.870 -4.605 1.00 0.00 H new ATOM 616 N LEU A 39 7.726 9.387 -3.264 1.00 0.00 N ATOM 617 CA LEU A 39 8.618 8.592 -2.418 1.00 0.00 C ATOM 618 C LEU A 39 8.836 9.220 -1.030 1.00 0.00 C ATOM 619 O LEU A 39 9.724 10.040 -0.813 1.00 0.00 O ATOM 620 CB LEU A 39 9.925 8.516 -3.187 1.00 0.00 C ATOM 621 CG LEU A 39 9.899 7.466 -4.304 1.00 0.00 C ATOM 622 CD1 LEU A 39 11.016 7.826 -5.283 1.00 0.00 C ATOM 623 CD2 LEU A 39 10.040 6.065 -3.707 1.00 0.00 C ATOM 0 H LEU A 39 8.177 9.743 -4.107 1.00 0.00 H new ATOM 0 HA LEU A 39 8.189 7.610 -2.219 1.00 0.00 H new ATOM 0 HB2 LEU A 39 10.144 9.493 -3.618 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.735 8.284 -2.495 1.00 0.00 H new ATOM 0 HG LEU A 39 8.952 7.461 -4.843 1.00 0.00 H new ATOM 0 HD11 LEU A 39 11.034 7.102 -6.097 1.00 0.00 H new ATOM 0 HD12 LEU A 39 10.838 8.822 -5.688 1.00 0.00 H new ATOM 0 HD13 LEU A 39 11.974 7.811 -4.763 1.00 0.00 H new ATOM 0 HD21 LEU A 39 10.021 5.325 -4.507 1.00 0.00 H new ATOM 0 HD22 LEU A 39 10.985 5.992 -3.168 1.00 0.00 H new ATOM 0 HD23 LEU A 39 9.215 5.878 -3.019 1.00 0.00 H new ATOM 635 N SER A 40 7.842 8.938 -0.198 1.00 0.00 N ATOM 636 CA SER A 40 7.757 9.452 1.185 1.00 0.00 C ATOM 637 C SER A 40 6.782 8.591 1.979 1.00 0.00 C ATOM 638 O SER A 40 5.831 8.031 1.432 1.00 0.00 O ATOM 639 CB SER A 40 7.336 10.927 1.219 1.00 0.00 C ATOM 640 OG SER A 40 5.924 11.086 1.318 1.00 0.00 O ATOM 0 H SER A 40 7.057 8.340 -0.456 1.00 0.00 H new ATOM 0 HA SER A 40 8.747 9.396 1.639 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.815 11.419 2.066 1.00 0.00 H new ATOM 0 HB3 SER A 40 7.693 11.425 0.317 1.00 0.00 H new ATOM 0 HG SER A 40 5.638 11.829 0.746 1.00 0.00 H new ATOM 646 N ASP A 41 7.017 8.547 3.286 1.00 0.00 N ATOM 647 CA ASP A 41 6.102 7.865 4.224 1.00 0.00 C ATOM 648 C ASP A 41 5.352 8.913 5.044 1.00 0.00 C ATOM 649 O ASP A 41 5.938 9.869 5.543 1.00 0.00 O ATOM 650 CB ASP A 41 6.907 6.921 5.123 1.00 0.00 C ATOM 651 CG ASP A 41 6.106 6.391 6.320 1.00 0.00 C ATOM 652 OD1 ASP A 41 4.891 6.146 6.152 1.00 0.00 O ATOM 653 OD2 ASP A 41 6.732 6.087 7.351 1.00 0.00 O ATOM 0 H ASP A 41 7.831 8.973 3.730 1.00 0.00 H new ATOM 0 HA ASP A 41 5.370 7.270 3.677 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.260 6.078 4.529 1.00 0.00 H new ATOM 0 HB3 ASP A 41 7.790 7.445 5.489 1.00 0.00 H new ATOM 658 N GLY A 42 4.029 8.765 5.051 1.00 0.00 N ATOM 659 CA GLY A 42 3.128 9.611 5.857 1.00 0.00 C ATOM 660 C GLY A 42 3.388 11.110 5.614 1.00 0.00 C ATOM 661 O GLY A 42 3.855 11.819 6.503 1.00 0.00 O ATOM 0 H GLY A 42 3.543 8.057 4.500 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.092 9.377 5.612 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.265 9.384 6.914 1.00 0.00 H new ATOM 665 N LYS A 43 3.249 11.488 4.346 1.00 0.00 N ATOM 666 CA LYS A 43 3.468 12.882 3.906 1.00 0.00 C ATOM 667 C LYS A 43 2.554 13.276 2.731 1.00 0.00 C ATOM 668 O LYS A 43 2.811 14.196 1.959 1.00 0.00 O ATOM 669 CB LYS A 43 4.938 13.070 3.543 1.00 0.00 C ATOM 670 CG LYS A 43 5.461 14.415 4.054 1.00 0.00 C ATOM 671 CD LYS A 43 6.981 14.421 3.999 1.00 0.00 C ATOM 672 CE LYS A 43 7.552 15.420 5.006 1.00 0.00 C ATOM 673 NZ LYS A 43 8.033 16.641 4.346 1.00 0.00 N ATOM 0 H LYS A 43 2.984 10.852 3.594 1.00 0.00 H new ATOM 0 HA LYS A 43 3.208 13.544 4.732 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.528 12.260 3.971 1.00 0.00 H new ATOM 0 HB3 LYS A 43 5.059 13.016 2.461 1.00 0.00 H new ATOM 0 HG2 LYS A 43 5.061 15.227 3.447 1.00 0.00 H new ATOM 0 HG3 LYS A 43 5.123 14.584 5.076 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.362 13.422 4.213 1.00 0.00 H new ATOM 0 HD3 LYS A 43 7.313 14.680 2.994 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.786 15.679 5.737 1.00 0.00 H new ATOM 0 HE3 LYS A 43 8.371 14.956 5.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 8.413 17.295 5.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 8.782 16.397 3.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 7.245 17.097 3.843 1.00 0.00 H new ATOM 687 N THR A 44 1.409 12.607 2.703 1.00 0.00 N ATOM 688 CA THR A 44 0.421 12.777 1.628 1.00 0.00 C ATOM 689 C THR A 44 -0.967 12.721 2.264 1.00 0.00 C ATOM 690 O THR A 44 -1.116 12.356 3.429 1.00 0.00 O ATOM 691 CB THR A 44 0.594 11.679 0.575 1.00 0.00 C ATOM 692 OG1 THR A 44 1.935 11.174 0.596 1.00 0.00 O ATOM 693 CG2 THR A 44 0.350 12.239 -0.829 1.00 0.00 C ATOM 0 H THR A 44 1.133 11.933 3.417 1.00 0.00 H new ATOM 0 HA THR A 44 0.557 13.733 1.122 1.00 0.00 H new ATOM 0 HB THR A 44 -0.122 10.891 0.807 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.924 10.209 0.424 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.477 11.445 -1.565 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.664 12.633 -0.892 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.063 13.038 -1.031 1.00 0.00 H new ATOM 701 N GLY A 45 -1.956 13.052 1.457 1.00 0.00 N ATOM 702 CA GLY A 45 -3.357 13.092 1.875 1.00 0.00 C ATOM 703 C GLY A 45 -3.822 11.809 2.572 1.00 0.00 C ATOM 704 O GLY A 45 -3.932 11.763 3.793 1.00 0.00 O ATOM 0 H GLY A 45 -1.815 13.305 0.479 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -3.503 13.936 2.549 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.984 13.270 1.001 1.00 0.00 H new ATOM 708 N SER A 46 -3.924 10.729 1.819 1.00 0.00 N ATOM 709 CA SER A 46 -4.285 9.414 2.403 1.00 0.00 C ATOM 710 C SER A 46 -3.148 8.809 3.255 1.00 0.00 C ATOM 711 O SER A 46 -3.184 7.611 3.539 1.00 0.00 O ATOM 712 CB SER A 46 -4.643 8.446 1.281 1.00 0.00 C ATOM 713 OG SER A 46 -3.432 8.039 0.637 1.00 0.00 O ATOM 0 H SER A 46 -3.767 10.717 0.811 1.00 0.00 H new ATOM 0 HA SER A 46 -5.137 9.574 3.064 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.171 7.580 1.680 1.00 0.00 H new ATOM 0 HB3 SER A 46 -5.312 8.924 0.565 1.00 0.00 H new ATOM 0 HG SER A 46 -3.052 7.270 1.111 1.00 0.00 H new ATOM 719 N SER A 47 -2.048 9.558 3.408 1.00 0.00 N ATOM 720 CA SER A 47 -0.818 9.223 4.159 1.00 0.00 C ATOM 721 C SER A 47 0.176 8.417 3.309 1.00 0.00 C ATOM 722 O SER A 47 1.381 8.664 3.296 1.00 0.00 O ATOM 723 CB SER A 47 -1.152 8.515 5.474 1.00 0.00 C ATOM 724 OG SER A 47 -0.039 8.407 6.351 1.00 0.00 O ATOM 0 H SER A 47 -1.984 10.482 2.981 1.00 0.00 H new ATOM 0 HA SER A 47 -0.322 10.161 4.408 1.00 0.00 H new ATOM 0 HB2 SER A 47 -1.952 9.057 5.978 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.532 7.517 5.255 1.00 0.00 H new ATOM 0 HG SER A 47 -0.313 7.949 7.173 1.00 0.00 H new ATOM 730 N TYR A 48 -0.421 7.620 2.428 1.00 0.00 N ATOM 731 CA TYR A 48 0.244 6.771 1.429 1.00 0.00 C ATOM 732 C TYR A 48 1.135 7.569 0.447 1.00 0.00 C ATOM 733 O TYR A 48 0.730 8.637 -0.011 1.00 0.00 O ATOM 734 CB TYR A 48 -0.831 5.989 0.672 1.00 0.00 C ATOM 735 CG TYR A 48 -1.711 5.129 1.587 1.00 0.00 C ATOM 736 CD1 TYR A 48 -1.162 4.327 2.604 1.00 0.00 C ATOM 737 CD2 TYR A 48 -3.102 5.189 1.361 1.00 0.00 C ATOM 738 CE1 TYR A 48 -2.030 3.555 3.414 1.00 0.00 C ATOM 739 CE2 TYR A 48 -3.971 4.423 2.150 1.00 0.00 C ATOM 740 CZ TYR A 48 -3.417 3.620 3.175 1.00 0.00 C ATOM 741 OH TYR A 48 -4.262 2.868 3.929 1.00 0.00 O ATOM 0 H TYR A 48 -1.437 7.541 2.385 1.00 0.00 H new ATOM 0 HA TYR A 48 0.918 6.093 1.953 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -1.462 6.689 0.125 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -0.351 5.348 -0.067 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -0.094 4.300 2.765 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -3.497 5.824 0.582 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -1.636 2.928 4.200 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -5.037 4.445 1.980 1.00 0.00 H new ATOM 0 HH TYR A 48 -4.983 3.434 4.275 1.00 0.00 H new ATOM 751 N PRO A 49 2.280 6.989 0.050 1.00 0.00 N ATOM 752 CA PRO A 49 2.725 5.639 0.450 1.00 0.00 C ATOM 753 C PRO A 49 3.322 5.606 1.857 1.00 0.00 C ATOM 754 O PRO A 49 3.792 6.607 2.385 1.00 0.00 O ATOM 755 CB PRO A 49 3.688 5.247 -0.658 1.00 0.00 C ATOM 756 CG PRO A 49 4.298 6.562 -1.138 1.00 0.00 C ATOM 757 CD PRO A 49 3.163 7.575 -0.971 1.00 0.00 C ATOM 0 HA PRO A 49 1.909 4.922 0.540 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.456 4.567 -0.290 1.00 0.00 H new ATOM 0 HB3 PRO A 49 3.169 4.734 -1.468 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.170 6.838 -0.546 1.00 0.00 H new ATOM 0 HG3 PRO A 49 4.625 6.496 -2.176 1.00 0.00 H new ATOM 0 HD2 PRO A 49 3.544 8.546 -0.654 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.632 7.732 -1.910 1.00 0.00 H new ATOM 765 N HIS A 50 2.913 4.570 2.574 1.00 0.00 N ATOM 766 CA HIS A 50 3.380 4.396 3.955 1.00 0.00 C ATOM 767 C HIS A 50 4.629 3.512 3.985 1.00 0.00 C ATOM 768 O HIS A 50 4.934 2.798 3.031 1.00 0.00 O ATOM 769 CB HIS A 50 2.252 3.890 4.887 1.00 0.00 C ATOM 770 CG HIS A 50 1.950 2.395 4.885 1.00 0.00 C ATOM 771 ND1 HIS A 50 1.574 1.691 5.957 1.00 0.00 N ATOM 772 CD2 HIS A 50 2.135 1.519 3.908 1.00 0.00 C ATOM 773 CE1 HIS A 50 1.559 0.401 5.660 1.00 0.00 C ATOM 774 NE2 HIS A 50 1.925 0.304 4.392 1.00 0.00 N ATOM 0 H HIS A 50 2.274 3.849 2.240 1.00 0.00 H new ATOM 0 HA HIS A 50 3.666 5.371 4.351 1.00 0.00 H new ATOM 0 HB2 HIS A 50 2.504 4.180 5.907 1.00 0.00 H new ATOM 0 HB3 HIS A 50 1.336 4.418 4.622 1.00 0.00 H new ATOM 0 HD2 HIS A 50 2.410 1.755 2.891 1.00 0.00 H new ATOM 0 HE1 HIS A 50 1.299 -0.412 6.322 1.00 0.00 H new ATOM 0 HE2 HIS A 50 2.029 -0.567 3.871 1.00 0.00 H new ATOM 783 N TRP A 51 5.386 3.619 5.061 1.00 0.00 N ATOM 784 CA TRP A 51 6.562 2.764 5.267 1.00 0.00 C ATOM 785 C TRP A 51 6.083 1.375 5.680 1.00 0.00 C ATOM 786 O TRP A 51 5.365 1.172 6.653 1.00 0.00 O ATOM 787 CB TRP A 51 7.506 3.365 6.294 1.00 0.00 C ATOM 788 CG TRP A 51 8.539 2.394 6.861 1.00 0.00 C ATOM 789 CD1 TRP A 51 9.527 1.802 6.211 1.00 0.00 C ATOM 790 CD2 TRP A 51 8.632 2.018 8.202 1.00 0.00 C ATOM 791 NE1 TRP A 51 10.276 1.080 7.049 1.00 0.00 N ATOM 792 CE2 TRP A 51 9.767 1.187 8.271 1.00 0.00 C ATOM 793 CE3 TRP A 51 7.936 2.420 9.359 1.00 0.00 C ATOM 794 CZ2 TRP A 51 10.227 0.741 9.530 1.00 0.00 C ATOM 795 CZ3 TRP A 51 8.430 2.012 10.618 1.00 0.00 C ATOM 796 CH2 TRP A 51 9.551 1.156 10.690 1.00 0.00 C ATOM 0 H TRP A 51 5.215 4.287 5.812 1.00 0.00 H new ATOM 0 HA TRP A 51 7.129 2.686 4.339 1.00 0.00 H new ATOM 0 HB2 TRP A 51 8.030 4.205 5.837 1.00 0.00 H new ATOM 0 HB3 TRP A 51 6.916 3.767 7.117 1.00 0.00 H new ATOM 0 HD1 TRP A 51 9.704 1.890 5.149 1.00 0.00 H new ATOM 0 HE1 TRP A 51 11.101 0.537 6.793 1.00 0.00 H new ATOM 0 HE3 TRP A 51 7.045 3.026 9.285 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 11.086 0.090 9.600 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 7.951 2.354 11.524 1.00 0.00 H new ATOM 0 HH2 TRP A 51 9.895 0.814 11.655 1.00 0.00 H new ATOM 807 N PHE A 52 6.633 0.431 4.925 1.00 0.00 N ATOM 808 CA PHE A 52 6.363 -0.982 5.156 1.00 0.00 C ATOM 809 C PHE A 52 7.520 -1.495 5.994 1.00 0.00 C ATOM 810 O PHE A 52 8.584 -1.870 5.474 1.00 0.00 O ATOM 811 CB PHE A 52 6.289 -1.680 3.801 1.00 0.00 C ATOM 812 CG PHE A 52 5.680 -3.080 3.901 1.00 0.00 C ATOM 813 CD1 PHE A 52 4.515 -3.297 4.668 1.00 0.00 C ATOM 814 CD2 PHE A 52 6.417 -4.154 3.363 1.00 0.00 C ATOM 815 CE1 PHE A 52 4.111 -4.621 4.948 1.00 0.00 C ATOM 816 CE2 PHE A 52 6.008 -5.476 3.634 1.00 0.00 C ATOM 817 CZ PHE A 52 4.866 -5.693 4.447 1.00 0.00 C ATOM 0 H PHE A 52 7.268 0.619 4.149 1.00 0.00 H new ATOM 0 HA PHE A 52 5.421 -1.165 5.674 1.00 0.00 H new ATOM 0 HB2 PHE A 52 5.695 -1.076 3.116 1.00 0.00 H new ATOM 0 HB3 PHE A 52 7.290 -1.751 3.376 1.00 0.00 H new ATOM 0 HD1 PHE A 52 3.940 -2.461 5.036 1.00 0.00 H new ATOM 0 HD2 PHE A 52 7.286 -3.967 2.750 1.00 0.00 H new ATOM 0 HE1 PHE A 52 3.229 -4.807 5.542 1.00 0.00 H new ATOM 0 HE2 PHE A 52 6.557 -6.313 3.228 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.571 -6.704 4.686 1.00 0.00 H new ATOM 827 N THR A 53 7.305 -1.406 7.303 1.00 0.00 N ATOM 828 CA THR A 53 8.203 -1.970 8.334 1.00 0.00 C ATOM 829 C THR A 53 8.749 -3.327 7.881 1.00 0.00 C ATOM 830 O THR A 53 9.906 -3.613 8.122 1.00 0.00 O ATOM 831 CB THR A 53 7.511 -2.160 9.693 1.00 0.00 C ATOM 832 OG1 THR A 53 6.524 -3.193 9.628 1.00 0.00 O ATOM 833 CG2 THR A 53 6.803 -0.917 10.215 1.00 0.00 C ATOM 0 H THR A 53 6.490 -0.934 7.695 1.00 0.00 H new ATOM 0 HA THR A 53 9.009 -1.247 8.459 1.00 0.00 H new ATOM 0 HB THR A 53 8.326 -2.412 10.372 1.00 0.00 H new ATOM 0 HG1 THR A 53 6.100 -3.296 10.505 1.00 0.00 H new ATOM 0 HG21 THR A 53 6.342 -1.138 11.178 1.00 0.00 H new ATOM 0 HG22 THR A 53 7.526 -0.110 10.336 1.00 0.00 H new ATOM 0 HG23 THR A 53 6.034 -0.612 9.506 1.00 0.00 H new ATOM 841 N ASN A 54 7.908 -4.102 7.202 1.00 0.00 N ATOM 842 CA ASN A 54 8.204 -5.460 6.715 1.00 0.00 C ATOM 843 C ASN A 54 8.662 -6.338 7.896 1.00 0.00 C ATOM 844 O ASN A 54 9.515 -7.220 7.764 1.00 0.00 O ATOM 845 CB ASN A 54 9.248 -5.363 5.581 1.00 0.00 C ATOM 846 CG ASN A 54 9.567 -6.695 4.922 1.00 0.00 C ATOM 847 OD1 ASN A 54 10.670 -7.214 4.994 1.00 0.00 O ATOM 848 ND2 ASN A 54 8.591 -7.292 4.276 1.00 0.00 N ATOM 0 H ASN A 54 6.965 -3.797 6.963 1.00 0.00 H new ATOM 0 HA ASN A 54 7.317 -5.937 6.298 1.00 0.00 H new ATOM 0 HB2 ASN A 54 8.882 -4.672 4.822 1.00 0.00 H new ATOM 0 HB3 ASN A 54 10.168 -4.938 5.983 1.00 0.00 H new ATOM 0 HD21 ASN A 54 8.752 -8.195 3.830 1.00 0.00 H new ATOM 0 HD22 ASN A 54 7.672 -6.852 4.220 1.00 0.00 H new ATOM 855 N GLY A 55 8.218 -5.977 9.088 1.00 0.00 N ATOM 856 CA GLY A 55 8.647 -6.636 10.331 1.00 0.00 C ATOM 857 C GLY A 55 9.661 -5.785 11.103 1.00 0.00 C ATOM 858 O GLY A 55 9.648 -5.812 12.320 1.00 0.00 O ATOM 0 H GLY A 55 7.550 -5.220 9.232 1.00 0.00 H new ATOM 0 HA2 GLY A 55 7.778 -6.827 10.960 1.00 0.00 H new ATOM 0 HA3 GLY A 55 9.089 -7.604 10.096 1.00 0.00 H new ATOM 862 N TYR A 56 10.569 -5.112 10.401 1.00 0.00 N ATOM 863 CA TYR A 56 11.592 -4.237 10.997 1.00 0.00 C ATOM 864 C TYR A 56 10.973 -3.214 11.971 1.00 0.00 C ATOM 865 O TYR A 56 9.789 -2.907 11.925 1.00 0.00 O ATOM 866 CB TYR A 56 12.368 -3.509 9.902 1.00 0.00 C ATOM 867 CG TYR A 56 13.018 -4.479 8.909 1.00 0.00 C ATOM 868 CD1 TYR A 56 14.218 -5.108 9.289 1.00 0.00 C ATOM 869 CD2 TYR A 56 12.491 -4.637 7.609 1.00 0.00 C ATOM 870 CE1 TYR A 56 14.932 -5.872 8.349 1.00 0.00 C ATOM 871 CE2 TYR A 56 13.204 -5.394 6.649 1.00 0.00 C ATOM 872 CZ TYR A 56 14.417 -5.996 7.050 1.00 0.00 C ATOM 873 OH TYR A 56 15.068 -6.790 6.175 1.00 0.00 O ATOM 0 H TYR A 56 10.621 -5.156 9.383 1.00 0.00 H new ATOM 0 HA TYR A 56 12.274 -4.870 11.566 1.00 0.00 H new ATOM 0 HB2 TYR A 56 11.695 -2.840 9.366 1.00 0.00 H new ATOM 0 HB3 TYR A 56 13.139 -2.888 10.358 1.00 0.00 H new ATOM 0 HD1 TYR A 56 14.589 -5.004 10.298 1.00 0.00 H new ATOM 0 HD2 TYR A 56 11.547 -4.182 7.348 1.00 0.00 H new ATOM 0 HE1 TYR A 56 15.859 -6.354 8.622 1.00 0.00 H new ATOM 0 HE2 TYR A 56 12.832 -5.508 5.641 1.00 0.00 H new ATOM 0 HH TYR A 56 15.742 -6.264 5.695 1.00 0.00 H new ATOM 883 N ASP A 57 11.816 -2.731 12.880 1.00 0.00 N ATOM 884 CA ASP A 57 11.401 -1.708 13.867 1.00 0.00 C ATOM 885 C ASP A 57 11.578 -0.254 13.382 1.00 0.00 C ATOM 886 O ASP A 57 10.973 0.663 13.917 1.00 0.00 O ATOM 887 CB ASP A 57 12.155 -1.915 15.172 1.00 0.00 C ATOM 888 CG ASP A 57 11.233 -2.402 16.295 1.00 0.00 C ATOM 889 OD1 ASP A 57 10.148 -1.801 16.453 1.00 0.00 O ATOM 890 OD2 ASP A 57 11.649 -3.351 16.994 1.00 0.00 O ATOM 0 H ASP A 57 12.790 -3.023 12.963 1.00 0.00 H new ATOM 0 HA ASP A 57 10.330 -1.847 14.015 1.00 0.00 H new ATOM 0 HB2 ASP A 57 12.954 -2.640 15.018 1.00 0.00 H new ATOM 0 HB3 ASP A 57 12.627 -0.979 15.471 1.00 0.00 H new ATOM 895 N GLY A 58 12.402 -0.110 12.348 1.00 0.00 N ATOM 896 CA GLY A 58 12.792 1.188 11.767 1.00 0.00 C ATOM 897 C GLY A 58 14.299 1.452 11.762 1.00 0.00 C ATOM 898 O GLY A 58 14.744 2.591 11.865 1.00 0.00 O ATOM 0 H GLY A 58 12.831 -0.905 11.874 1.00 0.00 H new ATOM 0 HA2 GLY A 58 12.423 1.239 10.743 1.00 0.00 H new ATOM 0 HA3 GLY A 58 12.298 1.984 12.324 1.00 0.00 H new ATOM 902 N ASP A 59 15.046 0.370 11.567 1.00 0.00 N ATOM 903 CA ASP A 59 16.516 0.403 11.570 1.00 0.00 C ATOM 904 C ASP A 59 17.106 -0.744 10.737 1.00 0.00 C ATOM 905 O ASP A 59 17.973 -0.537 9.903 1.00 0.00 O ATOM 906 CB ASP A 59 16.996 0.335 13.024 1.00 0.00 C ATOM 907 CG ASP A 59 18.222 1.219 13.262 1.00 0.00 C ATOM 908 OD1 ASP A 59 19.332 0.686 13.104 1.00 0.00 O ATOM 909 OD2 ASP A 59 18.000 2.385 13.655 1.00 0.00 O ATOM 0 H ASP A 59 14.655 -0.558 11.402 1.00 0.00 H new ATOM 0 HA ASP A 59 16.860 1.329 11.110 1.00 0.00 H new ATOM 0 HB2 ASP A 59 16.189 0.647 13.688 1.00 0.00 H new ATOM 0 HB3 ASP A 59 17.238 -0.697 13.279 1.00 0.00 H new ATOM 914 N GLY A 60 16.567 -1.948 10.966 1.00 0.00 N ATOM 915 CA GLY A 60 17.036 -3.179 10.302 1.00 0.00 C ATOM 916 C GLY A 60 16.841 -4.451 11.151 1.00 0.00 C ATOM 917 O GLY A 60 16.868 -5.567 10.657 1.00 0.00 O ATOM 0 H GLY A 60 15.795 -2.100 11.615 1.00 0.00 H new ATOM 0 HA2 GLY A 60 16.505 -3.298 9.358 1.00 0.00 H new ATOM 0 HA3 GLY A 60 18.094 -3.072 10.061 1.00 0.00 H new ATOM 921 N LYS A 61 16.709 -4.238 12.451 1.00 0.00 N ATOM 922 CA LYS A 61 16.354 -5.294 13.402 1.00 0.00 C ATOM 923 C LYS A 61 14.835 -5.407 13.528 1.00 0.00 C ATOM 924 O LYS A 61 14.096 -4.426 13.370 1.00 0.00 O ATOM 925 CB LYS A 61 16.992 -5.044 14.775 1.00 0.00 C ATOM 926 CG LYS A 61 16.781 -3.626 15.286 1.00 0.00 C ATOM 927 CD LYS A 61 17.370 -3.541 16.687 1.00 0.00 C ATOM 928 CE LYS A 61 17.941 -2.153 16.946 1.00 0.00 C ATOM 929 NZ LYS A 61 19.093 -2.355 17.839 1.00 0.00 N ATOM 0 H LYS A 61 16.845 -3.324 12.884 1.00 0.00 H new ATOM 0 HA LYS A 61 16.745 -6.237 13.020 1.00 0.00 H new ATOM 0 HB2 LYS A 61 16.576 -5.748 15.495 1.00 0.00 H new ATOM 0 HB3 LYS A 61 18.061 -5.246 14.713 1.00 0.00 H new ATOM 0 HG2 LYS A 61 17.264 -2.906 14.625 1.00 0.00 H new ATOM 0 HG3 LYS A 61 15.719 -3.381 15.303 1.00 0.00 H new ATOM 0 HD2 LYS A 61 16.600 -3.767 17.425 1.00 0.00 H new ATOM 0 HD3 LYS A 61 18.153 -4.290 16.804 1.00 0.00 H new ATOM 0 HE2 LYS A 61 18.247 -1.676 16.015 1.00 0.00 H new ATOM 0 HE3 LYS A 61 17.197 -1.504 17.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 19.530 -1.436 18.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 18.774 -2.803 18.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 19.791 -2.969 17.372 1.00 0.00 H new ATOM 943 N LEU A 62 14.423 -6.633 13.762 1.00 0.00 N ATOM 944 CA LEU A 62 13.001 -6.964 13.892 1.00 0.00 C ATOM 945 C LEU A 62 12.670 -7.356 15.354 1.00 0.00 C ATOM 946 O LEU A 62 13.575 -7.780 16.072 1.00 0.00 O ATOM 947 CB LEU A 62 12.711 -8.117 12.927 1.00 0.00 C ATOM 948 CG LEU A 62 12.992 -7.855 11.443 1.00 0.00 C ATOM 949 CD1 LEU A 62 14.043 -8.833 10.945 1.00 0.00 C ATOM 950 CD2 LEU A 62 11.754 -8.177 10.618 1.00 0.00 C ATOM 0 H LEU A 62 15.050 -7.431 13.869 1.00 0.00 H new ATOM 0 HA LEU A 62 12.377 -6.105 13.645 1.00 0.00 H new ATOM 0 HB2 LEU A 62 13.301 -8.979 13.239 1.00 0.00 H new ATOM 0 HB3 LEU A 62 11.662 -8.394 13.032 1.00 0.00 H new ATOM 0 HG LEU A 62 13.301 -6.815 11.343 1.00 0.00 H new ATOM 0 HD11 LEU A 62 14.243 -8.647 9.890 1.00 0.00 H new ATOM 0 HD12 LEU A 62 14.962 -8.702 11.517 1.00 0.00 H new ATOM 0 HD13 LEU A 62 13.680 -9.853 11.071 1.00 0.00 H new ATOM 0 HD21 LEU A 62 11.960 -7.989 9.564 1.00 0.00 H new ATOM 0 HD22 LEU A 62 11.489 -9.225 10.754 1.00 0.00 H new ATOM 0 HD23 LEU A 62 10.926 -7.548 10.944 1.00 0.00 H new ATOM 962 N PRO A 63 11.447 -7.058 15.830 1.00 0.00 N ATOM 963 CA PRO A 63 11.025 -7.317 17.219 1.00 0.00 C ATOM 964 C PRO A 63 10.839 -8.822 17.489 1.00 0.00 C ATOM 965 O PRO A 63 11.326 -9.664 16.744 1.00 0.00 O ATOM 966 CB PRO A 63 9.740 -6.506 17.371 1.00 0.00 C ATOM 967 CG PRO A 63 9.131 -6.480 15.980 1.00 0.00 C ATOM 968 CD PRO A 63 10.358 -6.411 15.076 1.00 0.00 C ATOM 0 HA PRO A 63 11.771 -7.019 17.955 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.064 -6.968 18.090 1.00 0.00 H new ATOM 0 HB3 PRO A 63 9.948 -5.498 17.731 1.00 0.00 H new ATOM 0 HG2 PRO A 63 8.533 -7.370 15.783 1.00 0.00 H new ATOM 0 HG3 PRO A 63 8.477 -5.619 15.841 1.00 0.00 H new ATOM 0 HD2 PRO A 63 10.177 -6.924 14.131 1.00 0.00 H new ATOM 0 HD3 PRO A 63 10.609 -5.378 14.835 1.00 0.00 H new ATOM 976 N LYS A 64 10.161 -9.149 18.576 1.00 0.00 N ATOM 977 CA LYS A 64 9.898 -10.550 18.947 1.00 0.00 C ATOM 978 C LYS A 64 8.697 -11.087 18.148 1.00 0.00 C ATOM 979 O LYS A 64 7.614 -10.502 18.184 1.00 0.00 O ATOM 980 CB LYS A 64 9.651 -10.666 20.454 1.00 0.00 C ATOM 981 CG LYS A 64 9.568 -12.139 20.882 1.00 0.00 C ATOM 982 CD LYS A 64 8.502 -12.296 21.957 1.00 0.00 C ATOM 983 CE LYS A 64 7.725 -13.595 21.740 1.00 0.00 C ATOM 984 NZ LYS A 64 8.094 -14.588 22.760 1.00 0.00 N ATOM 0 H LYS A 64 9.776 -8.466 19.228 1.00 0.00 H new ATOM 0 HA LYS A 64 10.772 -11.153 18.703 1.00 0.00 H new ATOM 0 HB2 LYS A 64 10.455 -10.169 20.998 1.00 0.00 H new ATOM 0 HB3 LYS A 64 8.725 -10.154 20.716 1.00 0.00 H new ATOM 0 HG2 LYS A 64 9.328 -12.765 20.023 1.00 0.00 H new ATOM 0 HG3 LYS A 64 10.534 -12.474 21.261 1.00 0.00 H new ATOM 0 HD2 LYS A 64 8.967 -12.301 22.943 1.00 0.00 H new ATOM 0 HD3 LYS A 64 7.820 -11.446 21.931 1.00 0.00 H new ATOM 0 HE2 LYS A 64 6.654 -13.398 21.786 1.00 0.00 H new ATOM 0 HE3 LYS A 64 7.934 -13.990 20.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 7.559 -15.465 22.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.113 -14.788 22.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 7.872 -14.214 23.705 1.00 0.00 H new ATOM 998 N GLY A 65 8.976 -12.139 17.384 1.00 0.00 N ATOM 999 CA GLY A 65 7.974 -12.826 16.535 1.00 0.00 C ATOM 1000 C GLY A 65 7.610 -11.964 15.321 1.00 0.00 C ATOM 1001 O GLY A 65 6.508 -11.427 15.194 1.00 0.00 O ATOM 0 H GLY A 65 9.907 -12.551 17.327 1.00 0.00 H new ATOM 0 HA2 GLY A 65 8.370 -13.785 16.201 1.00 0.00 H new ATOM 0 HA3 GLY A 65 7.078 -13.037 17.119 1.00 0.00 H new ATOM 1005 N ARG A 66 8.578 -11.870 14.429 1.00 0.00 N ATOM 1006 CA ARG A 66 8.467 -11.107 13.167 1.00 0.00 C ATOM 1007 C ARG A 66 8.402 -12.063 11.964 1.00 0.00 C ATOM 1008 O ARG A 66 8.860 -13.204 12.037 1.00 0.00 O ATOM 1009 CB ARG A 66 9.695 -10.211 13.020 1.00 0.00 C ATOM 1010 CG ARG A 66 11.002 -10.988 12.840 1.00 0.00 C ATOM 1011 CD ARG A 66 11.696 -11.265 14.165 1.00 0.00 C ATOM 1012 NE ARG A 66 13.119 -11.512 13.913 1.00 0.00 N ATOM 1013 CZ ARG A 66 14.071 -11.580 14.843 1.00 0.00 C ATOM 1014 NH1 ARG A 66 13.859 -11.173 16.088 1.00 0.00 N ATOM 1015 NH2 ARG A 66 15.300 -11.939 14.502 1.00 0.00 N ATOM 0 H ARG A 66 9.484 -12.323 14.548 1.00 0.00 H new ATOM 0 HA ARG A 66 7.557 -10.508 13.194 1.00 0.00 H new ATOM 0 HB2 ARG A 66 9.553 -9.552 12.164 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.778 -9.575 13.901 1.00 0.00 H new ATOM 0 HG2 ARG A 66 10.794 -11.932 12.337 1.00 0.00 H new ATOM 0 HG3 ARG A 66 11.672 -10.422 12.193 1.00 0.00 H new ATOM 0 HD2 ARG A 66 11.574 -10.417 14.839 1.00 0.00 H new ATOM 0 HD3 ARG A 66 11.244 -12.128 14.654 1.00 0.00 H new ATOM 0 HE ARG A 66 13.405 -11.643 12.943 1.00 0.00 H new ATOM 0 HH11 ARG A 66 12.949 -10.796 16.353 1.00 0.00 H new ATOM 0 HH12 ARG A 66 14.606 -11.237 16.780 1.00 0.00 H new ATOM 0 HH21 ARG A 66 15.515 -12.162 13.530 1.00 0.00 H new ATOM 0 HH22 ARG A 66 16.031 -11.992 15.211 1.00 0.00 H new ATOM 1029 N THR A 67 8.018 -11.483 10.830 1.00 0.00 N ATOM 1030 CA THR A 67 7.995 -12.209 9.558 1.00 0.00 C ATOM 1031 C THR A 67 8.198 -11.294 8.325 1.00 0.00 C ATOM 1032 O THR A 67 7.238 -10.765 7.753 1.00 0.00 O ATOM 1033 CB THR A 67 6.743 -13.101 9.473 1.00 0.00 C ATOM 1034 OG1 THR A 67 6.862 -13.964 8.349 1.00 0.00 O ATOM 1035 CG2 THR A 67 5.401 -12.358 9.468 1.00 0.00 C ATOM 0 H THR A 67 7.717 -10.511 10.763 1.00 0.00 H new ATOM 0 HA THR A 67 8.862 -12.869 9.536 1.00 0.00 H new ATOM 0 HB THR A 67 6.715 -13.674 10.400 1.00 0.00 H new ATOM 0 HG1 THR A 67 6.068 -14.536 8.290 1.00 0.00 H new ATOM 0 HG21 THR A 67 4.586 -13.079 9.406 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.303 -11.778 10.386 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.359 -11.688 8.609 1.00 0.00 H new ATOM 1043 N PRO A 68 9.466 -10.969 8.024 1.00 0.00 N ATOM 1044 CA PRO A 68 9.797 -10.110 6.870 1.00 0.00 C ATOM 1045 C PRO A 68 9.563 -10.851 5.563 1.00 0.00 C ATOM 1046 O PRO A 68 10.130 -11.915 5.345 1.00 0.00 O ATOM 1047 CB PRO A 68 11.260 -9.698 7.085 1.00 0.00 C ATOM 1048 CG PRO A 68 11.851 -10.820 7.928 1.00 0.00 C ATOM 1049 CD PRO A 68 10.684 -11.338 8.774 1.00 0.00 C ATOM 0 HA PRO A 68 9.163 -9.226 6.801 1.00 0.00 H new ATOM 0 HB2 PRO A 68 11.787 -9.594 6.136 1.00 0.00 H new ATOM 0 HB3 PRO A 68 11.331 -8.738 7.596 1.00 0.00 H new ATOM 0 HG2 PRO A 68 12.264 -11.609 7.300 1.00 0.00 H new ATOM 0 HG3 PRO A 68 12.663 -10.455 8.557 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.748 -12.417 8.914 1.00 0.00 H new ATOM 0 HD3 PRO A 68 10.687 -10.887 9.766 1.00 0.00 H new ATOM 1057 N ILE A 69 8.559 -10.382 4.816 1.00 0.00 N ATOM 1058 CA ILE A 69 8.253 -10.947 3.481 1.00 0.00 C ATOM 1059 C ILE A 69 9.534 -10.983 2.640 1.00 0.00 C ATOM 1060 O ILE A 69 10.040 -9.955 2.206 1.00 0.00 O ATOM 1061 CB ILE A 69 7.073 -10.226 2.782 1.00 0.00 C ATOM 1062 CG1 ILE A 69 5.771 -10.591 3.503 1.00 0.00 C ATOM 1063 CG2 ILE A 69 7.011 -10.524 1.270 1.00 0.00 C ATOM 1064 CD1 ILE A 69 4.511 -9.930 2.954 1.00 0.00 C ATOM 0 H ILE A 69 7.944 -9.620 5.102 1.00 0.00 H new ATOM 0 HA ILE A 69 7.903 -11.972 3.604 1.00 0.00 H new ATOM 0 HB ILE A 69 7.227 -9.149 2.852 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.642 -11.672 3.459 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.871 -10.325 4.555 1.00 0.00 H new ATOM 0 HG21 ILE A 69 6.166 -9.994 0.829 1.00 0.00 H new ATOM 0 HG22 ILE A 69 7.935 -10.193 0.796 1.00 0.00 H new ATOM 0 HG23 ILE A 69 6.888 -11.596 1.115 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.647 -10.255 3.534 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.608 -8.847 3.024 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.375 -10.215 1.911 1.00 0.00 H new ATOM 1076 N LYS A 70 10.046 -12.196 2.493 1.00 0.00 N ATOM 1077 CA LYS A 70 11.269 -12.445 1.723 1.00 0.00 C ATOM 1078 C LYS A 70 10.884 -12.636 0.266 1.00 0.00 C ATOM 1079 O LYS A 70 10.212 -13.597 -0.127 1.00 0.00 O ATOM 1080 CB LYS A 70 11.988 -13.671 2.286 1.00 0.00 C ATOM 1081 CG LYS A 70 13.364 -13.861 1.652 1.00 0.00 C ATOM 1082 CD LYS A 70 14.482 -13.629 2.667 1.00 0.00 C ATOM 1083 CE LYS A 70 15.832 -14.158 2.153 1.00 0.00 C ATOM 1084 NZ LYS A 70 15.794 -15.630 2.088 1.00 0.00 N ATOM 0 H LYS A 70 9.633 -13.035 2.899 1.00 0.00 H new ATOM 0 HA LYS A 70 11.956 -11.602 1.796 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.096 -13.565 3.365 1.00 0.00 H new ATOM 0 HB3 LYS A 70 11.382 -14.560 2.112 1.00 0.00 H new ATOM 0 HG2 LYS A 70 13.443 -14.869 1.246 1.00 0.00 H new ATOM 0 HG3 LYS A 70 13.480 -13.171 0.817 1.00 0.00 H new ATOM 0 HD2 LYS A 70 14.565 -12.563 2.880 1.00 0.00 H new ATOM 0 HD3 LYS A 70 14.230 -14.123 3.606 1.00 0.00 H new ATOM 0 HE2 LYS A 70 16.044 -13.746 1.166 1.00 0.00 H new ATOM 0 HE3 LYS A 70 16.636 -13.834 2.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 16.764 -16.004 2.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 15.262 -16.000 2.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 15.329 -15.927 1.207 1.00 0.00 H new ATOM 1098 N PHE A 71 11.208 -11.605 -0.485 1.00 0.00 N ATOM 1099 CA PHE A 71 10.941 -11.534 -1.932 1.00 0.00 C ATOM 1100 C PHE A 71 11.940 -12.371 -2.744 1.00 0.00 C ATOM 1101 O PHE A 71 11.618 -12.896 -3.805 1.00 0.00 O ATOM 1102 CB PHE A 71 11.004 -10.078 -2.387 1.00 0.00 C ATOM 1103 CG PHE A 71 10.070 -9.149 -1.592 1.00 0.00 C ATOM 1104 CD1 PHE A 71 8.752 -8.934 -2.038 1.00 0.00 C ATOM 1105 CD2 PHE A 71 10.569 -8.494 -0.441 1.00 0.00 C ATOM 1106 CE1 PHE A 71 7.925 -8.043 -1.335 1.00 0.00 C ATOM 1107 CE2 PHE A 71 9.733 -7.606 0.266 1.00 0.00 C ATOM 1108 CZ PHE A 71 8.415 -7.391 -0.180 1.00 0.00 C ATOM 0 H PHE A 71 11.671 -10.774 -0.116 1.00 0.00 H new ATOM 0 HA PHE A 71 9.947 -11.944 -2.109 1.00 0.00 H new ATOM 0 HB2 PHE A 71 12.029 -9.719 -2.291 1.00 0.00 H new ATOM 0 HB3 PHE A 71 10.745 -10.024 -3.444 1.00 0.00 H new ATOM 0 HD1 PHE A 71 8.381 -9.449 -2.912 1.00 0.00 H new ATOM 0 HD2 PHE A 71 11.581 -8.673 -0.107 1.00 0.00 H new ATOM 0 HE1 PHE A 71 6.917 -7.856 -1.676 1.00 0.00 H new ATOM 0 HE2 PHE A 71 10.101 -7.094 1.143 1.00 0.00 H new ATOM 0 HZ PHE A 71 7.770 -6.719 0.367 1.00 0.00 H new ATOM 1118 N GLY A 72 13.168 -12.437 -2.216 1.00 0.00 N ATOM 1119 CA GLY A 72 14.301 -13.155 -2.823 1.00 0.00 C ATOM 1120 C GLY A 72 15.392 -12.225 -3.364 1.00 0.00 C ATOM 1121 O GLY A 72 16.304 -12.642 -4.075 1.00 0.00 O ATOM 0 H GLY A 72 13.410 -11.983 -1.335 1.00 0.00 H new ATOM 0 HA2 GLY A 72 14.738 -13.822 -2.080 1.00 0.00 H new ATOM 0 HA3 GLY A 72 13.932 -13.781 -3.636 1.00 0.00 H new ATOM 1125 N LYS A 73 15.330 -10.960 -2.959 1.00 0.00 N ATOM 1126 CA LYS A 73 16.322 -9.937 -3.308 1.00 0.00 C ATOM 1127 C LYS A 73 16.844 -9.335 -2.005 1.00 0.00 C ATOM 1128 O LYS A 73 16.088 -8.694 -1.278 1.00 0.00 O ATOM 1129 CB LYS A 73 15.694 -8.836 -4.170 1.00 0.00 C ATOM 1130 CG LYS A 73 15.265 -9.297 -5.566 1.00 0.00 C ATOM 1131 CD LYS A 73 16.273 -8.913 -6.654 1.00 0.00 C ATOM 1132 CE LYS A 73 15.525 -8.793 -7.981 1.00 0.00 C ATOM 1133 NZ LYS A 73 16.450 -8.685 -9.114 1.00 0.00 N ATOM 0 H LYS A 73 14.577 -10.607 -2.368 1.00 0.00 H new ATOM 0 HA LYS A 73 17.131 -10.388 -3.883 1.00 0.00 H new ATOM 0 HB2 LYS A 73 14.825 -8.435 -3.649 1.00 0.00 H new ATOM 0 HB3 LYS A 73 16.409 -8.019 -4.273 1.00 0.00 H new ATOM 0 HG2 LYS A 73 15.136 -10.379 -5.562 1.00 0.00 H new ATOM 0 HG3 LYS A 73 14.295 -8.861 -5.805 1.00 0.00 H new ATOM 0 HD2 LYS A 73 16.759 -7.969 -6.405 1.00 0.00 H new ATOM 0 HD3 LYS A 73 17.058 -9.666 -6.727 1.00 0.00 H new ATOM 0 HE2 LYS A 73 14.882 -9.663 -8.117 1.00 0.00 H new ATOM 0 HE3 LYS A 73 14.876 -7.918 -7.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 15.908 -8.605 -9.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 17.046 -7.841 -8.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 17.052 -9.532 -9.152 1.00 0.00 H new ATOM 1147 N SER A 74 18.127 -9.584 -1.746 1.00 0.00 N ATOM 1148 CA SER A 74 18.859 -8.966 -0.618 1.00 0.00 C ATOM 1149 C SER A 74 18.667 -7.449 -0.518 1.00 0.00 C ATOM 1150 O SER A 74 18.734 -6.891 0.566 1.00 0.00 O ATOM 1151 CB SER A 74 20.365 -9.243 -0.654 1.00 0.00 C ATOM 1152 OG SER A 74 20.664 -10.355 0.194 1.00 0.00 O ATOM 0 H SER A 74 18.697 -10.218 -2.306 1.00 0.00 H new ATOM 0 HA SER A 74 18.417 -9.442 0.258 1.00 0.00 H new ATOM 0 HB2 SER A 74 20.683 -9.454 -1.675 1.00 0.00 H new ATOM 0 HB3 SER A 74 20.916 -8.362 -0.325 1.00 0.00 H new ATOM 0 HG SER A 74 21.627 -10.535 0.171 1.00 0.00 H new ATOM 1158 N ASP A 75 18.325 -6.843 -1.646 1.00 0.00 N ATOM 1159 CA ASP A 75 17.927 -5.422 -1.765 1.00 0.00 C ATOM 1160 C ASP A 75 16.634 -5.142 -0.996 1.00 0.00 C ATOM 1161 O ASP A 75 16.643 -4.356 -0.065 1.00 0.00 O ATOM 1162 CB ASP A 75 17.692 -5.021 -3.231 1.00 0.00 C ATOM 1163 CG ASP A 75 18.888 -5.295 -4.143 1.00 0.00 C ATOM 1164 OD1 ASP A 75 19.089 -6.495 -4.438 1.00 0.00 O ATOM 1165 OD2 ASP A 75 19.579 -4.313 -4.493 1.00 0.00 O ATOM 0 H ASP A 75 18.312 -7.332 -2.541 1.00 0.00 H new ATOM 0 HA ASP A 75 18.749 -4.840 -1.348 1.00 0.00 H new ATOM 0 HB2 ASP A 75 16.825 -5.561 -3.612 1.00 0.00 H new ATOM 0 HB3 ASP A 75 17.450 -3.959 -3.274 1.00 0.00 H new ATOM 1170 N CYS A 76 15.537 -5.830 -1.313 1.00 0.00 N ATOM 1171 CA CYS A 76 14.288 -5.666 -0.557 1.00 0.00 C ATOM 1172 C CYS A 76 14.376 -6.191 0.884 1.00 0.00 C ATOM 1173 O CYS A 76 13.690 -5.717 1.782 1.00 0.00 O ATOM 1174 CB CYS A 76 13.171 -6.368 -1.321 1.00 0.00 C ATOM 1175 SG CYS A 76 12.982 -5.708 -3.016 1.00 0.00 S ATOM 0 H CYS A 76 15.484 -6.501 -2.080 1.00 0.00 H new ATOM 0 HA CYS A 76 14.084 -4.599 -0.466 1.00 0.00 H new ATOM 0 HB2 CYS A 76 13.380 -7.437 -1.369 1.00 0.00 H new ATOM 0 HB3 CYS A 76 12.232 -6.251 -0.780 1.00 0.00 H new ATOM 1180 N ASP A 77 15.317 -7.109 1.092 1.00 0.00 N ATOM 1181 CA ASP A 77 15.666 -7.648 2.418 1.00 0.00 C ATOM 1182 C ASP A 77 16.676 -6.748 3.167 1.00 0.00 C ATOM 1183 O ASP A 77 17.061 -7.078 4.282 1.00 0.00 O ATOM 1184 CB ASP A 77 16.235 -9.058 2.255 1.00 0.00 C ATOM 1185 CG ASP A 77 16.363 -9.816 3.579 1.00 0.00 C ATOM 1186 OD1 ASP A 77 15.305 -10.256 4.063 1.00 0.00 O ATOM 1187 OD2 ASP A 77 17.528 -10.037 3.993 1.00 0.00 O ATOM 0 H ASP A 77 15.872 -7.510 0.336 1.00 0.00 H new ATOM 0 HA ASP A 77 14.758 -7.678 3.020 1.00 0.00 H new ATOM 0 HB2 ASP A 77 15.594 -9.625 1.580 1.00 0.00 H new ATOM 0 HB3 ASP A 77 17.216 -8.994 1.784 1.00 0.00 H new ATOM 1192 N ARG A 78 17.197 -5.703 2.517 1.00 0.00 N ATOM 1193 CA ARG A 78 18.190 -4.788 3.103 1.00 0.00 C ATOM 1194 C ARG A 78 17.634 -4.148 4.395 1.00 0.00 C ATOM 1195 O ARG A 78 16.406 -4.027 4.510 1.00 0.00 O ATOM 1196 CB ARG A 78 18.618 -3.679 2.123 1.00 0.00 C ATOM 1197 CG ARG A 78 17.633 -2.509 1.969 1.00 0.00 C ATOM 1198 CD ARG A 78 18.099 -1.466 0.952 1.00 0.00 C ATOM 1199 NE ARG A 78 18.465 -2.135 -0.319 1.00 0.00 N ATOM 1200 CZ ARG A 78 19.292 -1.644 -1.235 1.00 0.00 C ATOM 1201 NH1 ARG A 78 19.860 -0.456 -1.087 1.00 0.00 N ATOM 1202 NH2 ARG A 78 19.619 -2.350 -2.305 1.00 0.00 N ATOM 0 H ARG A 78 16.941 -5.463 1.559 1.00 0.00 H new ATOM 0 HA ARG A 78 19.072 -5.385 3.334 1.00 0.00 H new ATOM 0 HB2 ARG A 78 19.578 -3.281 2.451 1.00 0.00 H new ATOM 0 HB3 ARG A 78 18.777 -4.128 1.142 1.00 0.00 H new ATOM 0 HG2 ARG A 78 16.661 -2.897 1.664 1.00 0.00 H new ATOM 0 HG3 ARG A 78 17.494 -2.028 2.937 1.00 0.00 H new ATOM 0 HD2 ARG A 78 17.308 -0.737 0.776 1.00 0.00 H new ATOM 0 HD3 ARG A 78 18.955 -0.918 1.345 1.00 0.00 H new ATOM 0 HE ARG A 78 18.048 -3.047 -0.505 1.00 0.00 H new ATOM 0 HH11 ARG A 78 19.665 0.102 -0.256 1.00 0.00 H new ATOM 0 HH12 ARG A 78 20.492 -0.100 -1.804 1.00 0.00 H new ATOM 0 HH21 ARG A 78 19.235 -3.286 -2.436 1.00 0.00 H new ATOM 0 HH22 ARG A 78 20.255 -1.959 -2.999 1.00 0.00 H new ATOM 1216 N PRO A 79 18.516 -3.659 5.270 1.00 0.00 N ATOM 1217 CA PRO A 79 18.074 -2.916 6.460 1.00 0.00 C ATOM 1218 C PRO A 79 17.503 -1.549 6.077 1.00 0.00 C ATOM 1219 O PRO A 79 18.181 -0.700 5.496 1.00 0.00 O ATOM 1220 CB PRO A 79 19.306 -2.819 7.359 1.00 0.00 C ATOM 1221 CG PRO A 79 20.470 -2.886 6.380 1.00 0.00 C ATOM 1222 CD PRO A 79 19.981 -3.834 5.290 1.00 0.00 C ATOM 0 HA PRO A 79 17.260 -3.417 6.983 1.00 0.00 H new ATOM 0 HB2 PRO A 79 19.314 -1.890 7.929 1.00 0.00 H new ATOM 0 HB3 PRO A 79 19.341 -3.635 8.080 1.00 0.00 H new ATOM 0 HG2 PRO A 79 20.709 -1.902 5.976 1.00 0.00 H new ATOM 0 HG3 PRO A 79 21.374 -3.262 6.860 1.00 0.00 H new ATOM 0 HD2 PRO A 79 20.422 -3.588 4.324 1.00 0.00 H new ATOM 0 HD3 PRO A 79 20.253 -4.866 5.511 1.00 0.00 H new ATOM 1230 N PRO A 80 16.186 -1.391 6.297 1.00 0.00 N ATOM 1231 CA PRO A 80 15.459 -0.166 5.972 1.00 0.00 C ATOM 1232 C PRO A 80 15.751 0.921 7.016 1.00 0.00 C ATOM 1233 O PRO A 80 15.632 0.699 8.218 1.00 0.00 O ATOM 1234 CB PRO A 80 14.003 -0.637 5.988 1.00 0.00 C ATOM 1235 CG PRO A 80 13.945 -1.683 7.075 1.00 0.00 C ATOM 1236 CD PRO A 80 15.282 -2.397 6.880 1.00 0.00 C ATOM 0 HA PRO A 80 15.734 0.290 5.021 1.00 0.00 H new ATOM 0 HB2 PRO A 80 13.323 0.189 6.198 1.00 0.00 H new ATOM 0 HB3 PRO A 80 13.712 -1.053 5.024 1.00 0.00 H new ATOM 0 HG2 PRO A 80 13.857 -1.240 8.067 1.00 0.00 H new ATOM 0 HG3 PRO A 80 13.098 -2.357 6.951 1.00 0.00 H new ATOM 0 HD2 PRO A 80 15.669 -2.770 7.828 1.00 0.00 H new ATOM 0 HD3 PRO A 80 15.174 -3.257 6.219 1.00 0.00 H new ATOM 1244 N LYS A 81 16.014 2.120 6.511 1.00 0.00 N ATOM 1245 CA LYS A 81 16.330 3.249 7.397 1.00 0.00 C ATOM 1246 C LYS A 81 15.166 4.247 7.426 1.00 0.00 C ATOM 1247 O LYS A 81 15.052 5.159 6.606 1.00 0.00 O ATOM 1248 CB LYS A 81 17.623 3.926 6.933 1.00 0.00 C ATOM 1249 CG LYS A 81 18.412 4.532 8.097 1.00 0.00 C ATOM 1250 CD LYS A 81 19.719 3.756 8.291 1.00 0.00 C ATOM 1251 CE LYS A 81 20.552 4.267 9.480 1.00 0.00 C ATOM 1252 NZ LYS A 81 21.195 5.552 9.186 1.00 0.00 N ATOM 0 H LYS A 81 16.017 2.340 5.515 1.00 0.00 H new ATOM 0 HA LYS A 81 16.478 2.878 8.411 1.00 0.00 H new ATOM 0 HB2 LYS A 81 18.246 3.197 6.415 1.00 0.00 H new ATOM 0 HB3 LYS A 81 17.383 4.709 6.213 1.00 0.00 H new ATOM 0 HG2 LYS A 81 18.627 5.582 7.897 1.00 0.00 H new ATOM 0 HG3 LYS A 81 17.817 4.497 9.010 1.00 0.00 H new ATOM 0 HD2 LYS A 81 19.490 2.701 8.442 1.00 0.00 H new ATOM 0 HD3 LYS A 81 20.315 3.825 7.381 1.00 0.00 H new ATOM 0 HE2 LYS A 81 19.909 4.374 10.354 1.00 0.00 H new ATOM 0 HE3 LYS A 81 21.314 3.530 9.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 21.746 5.861 10.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 21.828 5.444 8.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 20.467 6.263 8.969 1.00 0.00 H new ATOM 1266 N HIS A 82 14.204 3.882 8.269 1.00 0.00 N ATOM 1267 CA HIS A 82 13.024 4.740 8.500 1.00 0.00 C ATOM 1268 C HIS A 82 13.344 5.847 9.496 1.00 0.00 C ATOM 1269 O HIS A 82 13.810 5.600 10.594 1.00 0.00 O ATOM 1270 CB HIS A 82 11.818 3.897 8.937 1.00 0.00 C ATOM 1271 CG HIS A 82 10.614 4.760 9.310 1.00 0.00 C ATOM 1272 ND1 HIS A 82 10.350 5.185 10.531 1.00 0.00 N ATOM 1273 CD2 HIS A 82 9.643 5.196 8.515 1.00 0.00 C ATOM 1274 CE1 HIS A 82 9.212 5.853 10.511 1.00 0.00 C ATOM 1275 NE2 HIS A 82 8.768 5.841 9.264 1.00 0.00 N ATOM 0 H HIS A 82 14.208 3.012 8.801 1.00 0.00 H new ATOM 0 HA HIS A 82 12.756 5.224 7.561 1.00 0.00 H new ATOM 0 HB2 HIS A 82 11.540 3.218 8.131 1.00 0.00 H new ATOM 0 HB3 HIS A 82 12.099 3.280 9.791 1.00 0.00 H new ATOM 0 HD2 HIS A 82 9.581 5.049 7.447 1.00 0.00 H new ATOM 0 HE1 HIS A 82 8.731 6.323 11.356 1.00 0.00 H new ATOM 0 HE2 HIS A 82 7.897 6.259 8.937 1.00 0.00 H new ATOM 1284 N SER A 83 13.080 7.071 9.026 1.00 0.00 N ATOM 1285 CA SER A 83 13.309 8.281 9.839 1.00 0.00 C ATOM 1286 C SER A 83 12.210 8.413 10.923 1.00 0.00 C ATOM 1287 O SER A 83 11.767 7.421 11.481 1.00 0.00 O ATOM 1288 CB SER A 83 13.437 9.493 8.909 1.00 0.00 C ATOM 1289 OG SER A 83 13.814 10.639 9.672 1.00 0.00 O ATOM 0 H SER A 83 12.710 7.255 8.093 1.00 0.00 H new ATOM 0 HA SER A 83 14.248 8.214 10.389 1.00 0.00 H new ATOM 0 HB2 SER A 83 14.181 9.296 8.137 1.00 0.00 H new ATOM 0 HB3 SER A 83 12.491 9.676 8.400 1.00 0.00 H new ATOM 0 HG SER A 83 13.898 11.414 9.078 1.00 0.00 H new ATOM 1295 N LYS A 84 11.793 9.636 11.264 1.00 0.00 N ATOM 1296 CA LYS A 84 10.697 9.858 12.225 1.00 0.00 C ATOM 1297 C LYS A 84 9.324 9.448 11.679 1.00 0.00 C ATOM 1298 O LYS A 84 8.552 8.750 12.334 1.00 0.00 O ATOM 1299 CB LYS A 84 10.664 11.319 12.701 1.00 0.00 C ATOM 1300 CG LYS A 84 11.605 11.628 13.880 1.00 0.00 C ATOM 1301 CD LYS A 84 13.074 11.713 13.473 1.00 0.00 C ATOM 1302 CE LYS A 84 13.895 10.554 14.050 1.00 0.00 C ATOM 1303 NZ LYS A 84 15.120 10.422 13.245 1.00 0.00 N ATOM 0 H LYS A 84 12.197 10.494 10.889 1.00 0.00 H new ATOM 0 HA LYS A 84 10.908 9.209 13.075 1.00 0.00 H new ATOM 0 HB2 LYS A 84 10.926 11.966 11.864 1.00 0.00 H new ATOM 0 HB3 LYS A 84 9.644 11.570 12.991 1.00 0.00 H new ATOM 0 HG2 LYS A 84 11.306 12.572 14.337 1.00 0.00 H new ATOM 0 HG3 LYS A 84 11.490 10.855 14.640 1.00 0.00 H new ATOM 0 HD2 LYS A 84 13.150 11.706 12.386 1.00 0.00 H new ATOM 0 HD3 LYS A 84 13.492 12.660 13.816 1.00 0.00 H new ATOM 0 HE2 LYS A 84 14.143 10.745 15.094 1.00 0.00 H new ATOM 0 HE3 LYS A 84 13.320 9.629 14.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 15.697 9.640 13.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 14.866 10.225 12.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 15.664 11.307 13.293 1.00 0.00 H new ATOM 1317 N ASP A 85 9.079 9.890 10.450 1.00 0.00 N ATOM 1318 CA ASP A 85 7.871 9.524 9.680 1.00 0.00 C ATOM 1319 C ASP A 85 8.179 8.927 8.316 1.00 0.00 C ATOM 1320 O ASP A 85 7.243 8.593 7.597 1.00 0.00 O ATOM 1321 CB ASP A 85 6.959 10.742 9.517 1.00 0.00 C ATOM 1322 CG ASP A 85 5.813 10.729 10.527 1.00 0.00 C ATOM 1323 OD1 ASP A 85 6.102 10.610 11.729 1.00 0.00 O ATOM 1324 OD2 ASP A 85 4.660 10.881 10.068 1.00 0.00 O ATOM 0 H ASP A 85 9.709 10.516 9.948 1.00 0.00 H new ATOM 0 HA ASP A 85 7.366 8.748 10.256 1.00 0.00 H new ATOM 0 HB2 ASP A 85 7.544 11.654 9.642 1.00 0.00 H new ATOM 0 HB3 ASP A 85 6.553 10.760 8.506 1.00 0.00 H new ATOM 1329 N GLY A 86 9.465 8.683 8.049 1.00 0.00 N ATOM 1330 CA GLY A 86 9.959 8.192 6.754 1.00 0.00 C ATOM 1331 C GLY A 86 9.636 9.181 5.637 1.00 0.00 C ATOM 1332 O GLY A 86 8.545 9.708 5.478 1.00 0.00 O ATOM 0 H GLY A 86 10.206 8.822 8.736 1.00 0.00 H new ATOM 0 HA2 GLY A 86 11.037 8.036 6.807 1.00 0.00 H new ATOM 0 HA3 GLY A 86 9.508 7.225 6.531 1.00 0.00 H new ATOM 1336 N ASN A 87 10.678 9.504 4.903 1.00 0.00 N ATOM 1337 CA ASN A 87 10.568 10.545 3.874 1.00 0.00 C ATOM 1338 C ASN A 87 11.280 10.106 2.607 1.00 0.00 C ATOM 1339 O ASN A 87 10.801 9.235 1.890 1.00 0.00 O ATOM 1340 CB ASN A 87 11.002 11.907 4.451 1.00 0.00 C ATOM 1341 CG ASN A 87 12.222 11.843 5.382 1.00 0.00 C ATOM 1342 OD1 ASN A 87 12.216 11.283 6.472 1.00 0.00 O ATOM 1343 ND2 ASN A 87 13.358 12.352 4.960 1.00 0.00 N ATOM 0 H ASN A 87 11.600 9.077 4.987 1.00 0.00 H new ATOM 0 HA ASN A 87 9.531 10.689 3.571 1.00 0.00 H new ATOM 0 HB2 ASN A 87 11.225 12.583 3.625 1.00 0.00 H new ATOM 0 HB3 ASN A 87 10.165 12.339 4.999 1.00 0.00 H new ATOM 0 HD21 ASN A 87 14.197 12.274 5.535 1.00 0.00 H new ATOM 0 HD22 ASN A 87 13.401 12.825 4.058 1.00 0.00 H new ATOM 1350 N GLY A 88 12.556 10.441 2.584 1.00 0.00 N ATOM 1351 CA GLY A 88 13.363 10.209 1.387 1.00 0.00 C ATOM 1352 C GLY A 88 14.734 10.858 1.434 1.00 0.00 C ATOM 1353 O GLY A 88 15.714 10.215 1.083 1.00 0.00 O ATOM 0 H GLY A 88 13.056 10.868 3.364 1.00 0.00 H new ATOM 0 HA2 GLY A 88 13.485 9.135 1.246 1.00 0.00 H new ATOM 0 HA3 GLY A 88 12.823 10.586 0.518 1.00 0.00 H new ATOM 1357 N LYS A 89 14.749 12.077 1.962 1.00 0.00 N ATOM 1358 CA LYS A 89 15.954 12.921 2.109 1.00 0.00 C ATOM 1359 C LYS A 89 17.235 12.116 2.417 1.00 0.00 C ATOM 1360 O LYS A 89 18.284 12.344 1.823 1.00 0.00 O ATOM 1361 CB LYS A 89 15.687 13.985 3.185 1.00 0.00 C ATOM 1362 CG LYS A 89 16.846 14.943 3.453 1.00 0.00 C ATOM 1363 CD LYS A 89 17.189 15.804 2.234 1.00 0.00 C ATOM 1364 CE LYS A 89 18.390 16.729 2.494 1.00 0.00 C ATOM 1365 NZ LYS A 89 18.088 17.682 3.566 1.00 0.00 N ATOM 0 H LYS A 89 13.904 12.528 2.313 1.00 0.00 H new ATOM 0 HA LYS A 89 16.145 13.401 1.149 1.00 0.00 H new ATOM 0 HB2 LYS A 89 14.815 14.568 2.888 1.00 0.00 H new ATOM 0 HB3 LYS A 89 15.431 13.480 4.117 1.00 0.00 H new ATOM 0 HG2 LYS A 89 16.591 15.591 4.291 1.00 0.00 H new ATOM 0 HG3 LYS A 89 17.725 14.371 3.749 1.00 0.00 H new ATOM 0 HD2 LYS A 89 17.408 15.157 1.385 1.00 0.00 H new ATOM 0 HD3 LYS A 89 16.322 16.406 1.961 1.00 0.00 H new ATOM 0 HE2 LYS A 89 19.262 16.134 2.765 1.00 0.00 H new ATOM 0 HE3 LYS A 89 18.644 17.269 1.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 18.829 18.411 3.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 17.168 18.131 3.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 18.052 17.181 4.476 1.00 0.00 H new ATOM 1379 N THR A 90 17.054 11.124 3.294 1.00 0.00 N ATOM 1380 CA THR A 90 18.067 10.158 3.732 1.00 0.00 C ATOM 1381 C THR A 90 17.491 8.758 4.058 1.00 0.00 C ATOM 1382 O THR A 90 18.148 7.934 4.693 1.00 0.00 O ATOM 1383 CB THR A 90 18.779 10.742 4.958 1.00 0.00 C ATOM 1384 OG1 THR A 90 17.797 11.346 5.817 1.00 0.00 O ATOM 1385 CG2 THR A 90 19.854 11.760 4.538 1.00 0.00 C ATOM 0 H THR A 90 16.151 10.965 3.741 1.00 0.00 H new ATOM 0 HA THR A 90 18.761 10.001 2.906 1.00 0.00 H new ATOM 0 HB THR A 90 19.290 9.945 5.498 1.00 0.00 H new ATOM 0 HG1 THR A 90 18.240 11.722 6.606 1.00 0.00 H new ATOM 0 HG21 THR A 90 20.344 12.159 5.426 1.00 0.00 H new ATOM 0 HG22 THR A 90 20.593 11.268 3.906 1.00 0.00 H new ATOM 0 HG23 THR A 90 19.387 12.575 3.984 1.00 0.00 H new ATOM 1393 N ASP A 91 16.299 8.482 3.520 1.00 0.00 N ATOM 1394 CA ASP A 91 15.634 7.168 3.657 1.00 0.00 C ATOM 1395 C ASP A 91 16.156 6.233 2.546 1.00 0.00 C ATOM 1396 O ASP A 91 16.631 6.706 1.522 1.00 0.00 O ATOM 1397 CB ASP A 91 14.102 7.364 3.633 1.00 0.00 C ATOM 1398 CG ASP A 91 13.261 6.537 2.640 1.00 0.00 C ATOM 1399 OD1 ASP A 91 13.278 5.295 2.721 1.00 0.00 O ATOM 1400 OD2 ASP A 91 12.573 7.169 1.818 1.00 0.00 O ATOM 0 H ASP A 91 15.762 9.158 2.976 1.00 0.00 H new ATOM 0 HA ASP A 91 15.869 6.696 4.611 1.00 0.00 H new ATOM 0 HB2 ASP A 91 13.727 7.156 4.635 1.00 0.00 H new ATOM 0 HB3 ASP A 91 13.908 8.418 3.432 1.00 0.00 H new ATOM 1405 N HIS A 92 15.992 4.938 2.765 1.00 0.00 N ATOM 1406 CA HIS A 92 16.237 3.893 1.752 1.00 0.00 C ATOM 1407 C HIS A 92 15.592 2.546 2.140 1.00 0.00 C ATOM 1408 O HIS A 92 16.132 1.456 1.991 1.00 0.00 O ATOM 1409 CB HIS A 92 17.734 3.770 1.450 1.00 0.00 C ATOM 1410 CG HIS A 92 18.555 3.309 2.652 1.00 0.00 C ATOM 1411 ND1 HIS A 92 18.835 2.045 2.918 1.00 0.00 N ATOM 1412 CD2 HIS A 92 19.042 4.057 3.631 1.00 0.00 C ATOM 1413 CE1 HIS A 92 19.512 1.993 4.054 1.00 0.00 C ATOM 1414 NE2 HIS A 92 19.634 3.247 4.493 1.00 0.00 N ATOM 0 H HIS A 92 15.680 4.565 3.662 1.00 0.00 H new ATOM 0 HA HIS A 92 15.747 4.199 0.828 1.00 0.00 H new ATOM 0 HB2 HIS A 92 17.876 3.066 0.630 1.00 0.00 H new ATOM 0 HB3 HIS A 92 18.110 4.735 1.110 1.00 0.00 H new ATOM 0 HD1 HIS A 92 18.573 1.244 2.344 1.00 0.00 H new ATOM 0 HD2 HIS A 92 18.969 5.132 3.711 1.00 0.00 H new ATOM 0 HE1 HIS A 92 19.893 1.104 4.535 1.00 0.00 H new ATOM 1423 N TYR A 93 14.368 2.667 2.638 1.00 0.00 N ATOM 1424 CA TYR A 93 13.581 1.536 3.141 1.00 0.00 C ATOM 1425 C TYR A 93 12.636 0.912 2.120 1.00 0.00 C ATOM 1426 O TYR A 93 12.498 1.412 1.006 1.00 0.00 O ATOM 1427 CB TYR A 93 12.834 1.971 4.404 1.00 0.00 C ATOM 1428 CG TYR A 93 11.947 3.199 4.323 1.00 0.00 C ATOM 1429 CD1 TYR A 93 10.896 3.265 3.379 1.00 0.00 C ATOM 1430 CD2 TYR A 93 12.221 4.231 5.225 1.00 0.00 C ATOM 1431 CE1 TYR A 93 10.110 4.433 3.345 1.00 0.00 C ATOM 1432 CE2 TYR A 93 11.442 5.388 5.196 1.00 0.00 C ATOM 1433 CZ TYR A 93 10.409 5.482 4.237 1.00 0.00 C ATOM 1434 OH TYR A 93 9.850 6.679 3.998 1.00 0.00 O ATOM 0 H TYR A 93 13.883 3.562 2.707 1.00 0.00 H new ATOM 0 HA TYR A 93 14.287 0.738 3.372 1.00 0.00 H new ATOM 0 HB2 TYR A 93 12.216 1.135 4.731 1.00 0.00 H new ATOM 0 HB3 TYR A 93 13.574 2.145 5.185 1.00 0.00 H new ATOM 0 HD1 TYR A 93 10.702 2.444 2.704 1.00 0.00 H new ATOM 0 HD2 TYR A 93 13.027 4.134 5.937 1.00 0.00 H new ATOM 0 HE1 TYR A 93 9.291 4.523 2.647 1.00 0.00 H new ATOM 0 HE2 TYR A 93 11.625 6.194 5.891 1.00 0.00 H new ATOM 0 HH TYR A 93 9.119 6.576 3.354 1.00 0.00 H new ATOM 1444 N LEU A 94 11.890 -0.092 2.579 1.00 0.00 N ATOM 1445 CA LEU A 94 10.790 -0.659 1.799 1.00 0.00 C ATOM 1446 C LEU A 94 9.482 0.024 2.147 1.00 0.00 C ATOM 1447 O LEU A 94 9.010 -0.030 3.292 1.00 0.00 O ATOM 1448 CB LEU A 94 10.636 -2.167 1.991 1.00 0.00 C ATOM 1449 CG LEU A 94 11.340 -2.952 0.878 1.00 0.00 C ATOM 1450 CD1 LEU A 94 10.974 -4.416 1.048 1.00 0.00 C ATOM 1451 CD2 LEU A 94 10.846 -2.567 -0.514 1.00 0.00 C ATOM 0 H LEU A 94 12.028 -0.531 3.489 1.00 0.00 H new ATOM 0 HA LEU A 94 11.039 -0.484 0.752 1.00 0.00 H new ATOM 0 HB2 LEU A 94 11.049 -2.455 2.958 1.00 0.00 H new ATOM 0 HB3 LEU A 94 9.577 -2.426 2.006 1.00 0.00 H new ATOM 0 HG LEU A 94 12.407 -2.744 0.955 1.00 0.00 H new ATOM 0 HD11 LEU A 94 11.459 -5.005 0.270 1.00 0.00 H new ATOM 0 HD12 LEU A 94 11.306 -4.763 2.026 1.00 0.00 H new ATOM 0 HD13 LEU A 94 9.893 -4.532 0.970 1.00 0.00 H new ATOM 0 HD21 LEU A 94 11.378 -3.153 -1.264 1.00 0.00 H new ATOM 0 HD22 LEU A 94 9.777 -2.766 -0.589 1.00 0.00 H new ATOM 0 HD23 LEU A 94 11.030 -1.506 -0.685 1.00 0.00 H new ATOM 1463 N LEU A 95 9.030 0.863 1.235 1.00 0.00 N ATOM 1464 CA LEU A 95 7.725 1.501 1.420 1.00 0.00 C ATOM 1465 C LEU A 95 6.638 0.652 0.737 1.00 0.00 C ATOM 1466 O LEU A 95 6.890 -0.065 -0.234 1.00 0.00 O ATOM 1467 CB LEU A 95 7.770 2.982 1.015 1.00 0.00 C ATOM 1468 CG LEU A 95 7.730 3.236 -0.487 1.00 0.00 C ATOM 1469 CD1 LEU A 95 6.268 3.185 -0.906 1.00 0.00 C ATOM 1470 CD2 LEU A 95 8.236 4.627 -0.822 1.00 0.00 C ATOM 0 H LEU A 95 9.524 1.119 0.380 1.00 0.00 H new ATOM 0 HA LEU A 95 7.454 1.530 2.475 1.00 0.00 H new ATOM 0 HB2 LEU A 95 6.928 3.497 1.479 1.00 0.00 H new ATOM 0 HB3 LEU A 95 8.678 3.427 1.420 1.00 0.00 H new ATOM 0 HG LEU A 95 8.351 2.496 -0.993 1.00 0.00 H new ATOM 0 HD11 LEU A 95 6.191 3.362 -1.979 1.00 0.00 H new ATOM 0 HD12 LEU A 95 5.856 2.204 -0.670 1.00 0.00 H new ATOM 0 HD13 LEU A 95 5.709 3.952 -0.370 1.00 0.00 H new ATOM 0 HD21 LEU A 95 8.196 4.779 -1.901 1.00 0.00 H new ATOM 0 HD22 LEU A 95 7.611 5.370 -0.327 1.00 0.00 H new ATOM 0 HD23 LEU A 95 9.265 4.732 -0.479 1.00 0.00 H new ATOM 1482 N GLU A 96 5.435 0.813 1.255 1.00 0.00 N ATOM 1483 CA GLU A 96 4.229 0.177 0.708 1.00 0.00 C ATOM 1484 C GLU A 96 3.211 1.222 0.219 1.00 0.00 C ATOM 1485 O GLU A 96 3.010 2.270 0.833 1.00 0.00 O ATOM 1486 CB GLU A 96 3.644 -0.734 1.784 1.00 0.00 C ATOM 1487 CG GLU A 96 2.255 -1.258 1.458 1.00 0.00 C ATOM 1488 CD GLU A 96 1.846 -2.497 2.249 1.00 0.00 C ATOM 1489 OE1 GLU A 96 1.399 -2.326 3.403 1.00 0.00 O ATOM 1490 OE2 GLU A 96 1.993 -3.576 1.670 1.00 0.00 O ATOM 0 H GLU A 96 5.255 1.392 2.075 1.00 0.00 H new ATOM 0 HA GLU A 96 4.487 -0.418 -0.168 1.00 0.00 H new ATOM 0 HB2 GLU A 96 4.315 -1.580 1.934 1.00 0.00 H new ATOM 0 HB3 GLU A 96 3.604 -0.188 2.726 1.00 0.00 H new ATOM 0 HG2 GLU A 96 1.529 -0.467 1.645 1.00 0.00 H new ATOM 0 HG3 GLU A 96 2.208 -1.490 0.394 1.00 0.00 H new ATOM 1497 N PHE A 97 2.508 0.826 -0.821 1.00 0.00 N ATOM 1498 CA PHE A 97 1.461 1.642 -1.446 1.00 0.00 C ATOM 1499 C PHE A 97 0.219 0.801 -1.829 1.00 0.00 C ATOM 1500 O PHE A 97 0.411 -0.250 -2.439 1.00 0.00 O ATOM 1501 CB PHE A 97 2.102 2.310 -2.664 1.00 0.00 C ATOM 1502 CG PHE A 97 1.145 3.243 -3.409 1.00 0.00 C ATOM 1503 CD1 PHE A 97 0.882 4.515 -2.865 1.00 0.00 C ATOM 1504 CD2 PHE A 97 0.473 2.768 -4.554 1.00 0.00 C ATOM 1505 CE1 PHE A 97 -0.083 5.335 -3.490 1.00 0.00 C ATOM 1506 CE2 PHE A 97 -0.492 3.588 -5.178 1.00 0.00 C ATOM 1507 CZ PHE A 97 -0.756 4.869 -4.631 1.00 0.00 C ATOM 0 H PHE A 97 2.641 -0.080 -1.269 1.00 0.00 H new ATOM 0 HA PHE A 97 1.088 2.391 -0.748 1.00 0.00 H new ATOM 0 HB2 PHE A 97 2.976 2.877 -2.342 1.00 0.00 H new ATOM 0 HB3 PHE A 97 2.456 1.540 -3.349 1.00 0.00 H new ATOM 0 HD1 PHE A 97 1.408 4.857 -1.986 1.00 0.00 H new ATOM 0 HD2 PHE A 97 0.694 1.788 -4.949 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -0.302 6.315 -3.093 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -1.019 3.246 -6.056 1.00 0.00 H new ATOM 0 HZ PHE A 97 -1.493 5.502 -5.103 1.00 0.00 H new ATOM 1517 N PRO A 98 -0.999 1.301 -1.559 1.00 0.00 N ATOM 1518 CA PRO A 98 -2.256 0.624 -1.934 1.00 0.00 C ATOM 1519 C PRO A 98 -2.509 0.663 -3.442 1.00 0.00 C ATOM 1520 O PRO A 98 -2.951 1.657 -4.023 1.00 0.00 O ATOM 1521 CB PRO A 98 -3.358 1.322 -1.139 1.00 0.00 C ATOM 1522 CG PRO A 98 -2.796 2.728 -0.976 1.00 0.00 C ATOM 1523 CD PRO A 98 -1.302 2.495 -0.751 1.00 0.00 C ATOM 0 HA PRO A 98 -2.216 -0.439 -1.695 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -4.308 1.323 -1.674 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -3.534 0.840 -0.177 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -2.978 3.337 -1.861 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -3.252 3.247 -0.133 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -0.712 3.354 -1.072 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -1.079 2.330 0.303 1.00 0.00 H new ATOM 1531 N THR A 99 -2.012 -0.392 -4.074 1.00 0.00 N ATOM 1532 CA THR A 99 -2.155 -0.563 -5.524 1.00 0.00 C ATOM 1533 C THR A 99 -3.519 -1.175 -5.860 1.00 0.00 C ATOM 1534 O THR A 99 -4.040 -2.034 -5.159 1.00 0.00 O ATOM 1535 CB THR A 99 -1.002 -1.345 -6.156 1.00 0.00 C ATOM 1536 OG1 THR A 99 -1.115 -1.244 -7.578 1.00 0.00 O ATOM 1537 CG2 THR A 99 -0.934 -2.825 -5.756 1.00 0.00 C ATOM 0 H THR A 99 -1.505 -1.146 -3.610 1.00 0.00 H new ATOM 0 HA THR A 99 -2.106 0.431 -5.969 1.00 0.00 H new ATOM 0 HB THR A 99 -0.081 -0.898 -5.782 1.00 0.00 H new ATOM 0 HG1 THR A 99 -0.606 -1.968 -7.999 1.00 0.00 H new ATOM 0 HG21 THR A 99 -0.086 -3.297 -6.252 1.00 0.00 H new ATOM 0 HG22 THR A 99 -0.813 -2.905 -4.676 1.00 0.00 H new ATOM 0 HG23 THR A 99 -1.855 -3.326 -6.056 1.00 0.00 H new ATOM 1545 N PHE A 100 -4.128 -0.577 -6.873 1.00 0.00 N ATOM 1546 CA PHE A 100 -5.473 -0.962 -7.348 1.00 0.00 C ATOM 1547 C PHE A 100 -5.423 -1.850 -8.602 1.00 0.00 C ATOM 1548 O PHE A 100 -4.534 -1.639 -9.437 1.00 0.00 O ATOM 1549 CB PHE A 100 -6.295 0.311 -7.573 1.00 0.00 C ATOM 1550 CG PHE A 100 -6.773 0.897 -6.232 1.00 0.00 C ATOM 1551 CD1 PHE A 100 -5.838 1.395 -5.291 1.00 0.00 C ATOM 1552 CD2 PHE A 100 -8.151 0.965 -5.961 1.00 0.00 C ATOM 1553 CE1 PHE A 100 -6.294 1.952 -4.086 1.00 0.00 C ATOM 1554 CE2 PHE A 100 -8.617 1.582 -4.785 1.00 0.00 C ATOM 1555 CZ PHE A 100 -7.677 2.075 -3.859 1.00 0.00 C ATOM 0 H PHE A 100 -3.713 0.192 -7.398 1.00 0.00 H new ATOM 0 HA PHE A 100 -5.956 -1.573 -6.586 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -5.693 1.049 -8.104 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -7.155 0.087 -8.204 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -4.780 1.346 -5.500 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -8.857 0.541 -6.660 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -5.588 2.284 -3.339 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -9.676 1.676 -4.596 1.00 0.00 H new ATOM 0 HZ PHE A 100 -8.025 2.557 -2.957 1.00 0.00 H new ATOM 1565 N PRO A 101 -6.365 -2.795 -8.756 1.00 0.00 N ATOM 1566 CA PRO A 101 -6.384 -3.729 -9.899 1.00 0.00 C ATOM 1567 C PRO A 101 -6.844 -3.076 -11.208 1.00 0.00 C ATOM 1568 O PRO A 101 -6.164 -3.232 -12.211 1.00 0.00 O ATOM 1569 CB PRO A 101 -7.291 -4.881 -9.463 1.00 0.00 C ATOM 1570 CG PRO A 101 -8.267 -4.227 -8.491 1.00 0.00 C ATOM 1571 CD PRO A 101 -7.473 -3.107 -7.819 1.00 0.00 C ATOM 0 HA PRO A 101 -5.378 -4.078 -10.134 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -7.810 -5.325 -10.312 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -6.723 -5.678 -8.984 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -9.139 -3.833 -9.014 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -8.633 -4.945 -7.757 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -8.099 -2.232 -7.644 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -7.090 -3.424 -6.849 1.00 0.00 H new ATOM 1579 N ASP A 102 -7.859 -2.204 -11.104 1.00 0.00 N ATOM 1580 CA ASP A 102 -8.353 -1.354 -12.212 1.00 0.00 C ATOM 1581 C ASP A 102 -7.195 -0.683 -12.974 1.00 0.00 C ATOM 1582 O ASP A 102 -7.318 -0.371 -14.159 1.00 0.00 O ATOM 1583 CB ASP A 102 -9.234 -0.231 -11.675 1.00 0.00 C ATOM 1584 CG ASP A 102 -10.729 -0.537 -11.767 1.00 0.00 C ATOM 1585 OD1 ASP A 102 -11.308 -0.214 -12.832 1.00 0.00 O ATOM 1586 OD2 ASP A 102 -11.265 -1.000 -10.741 1.00 0.00 O ATOM 0 H ASP A 102 -8.372 -2.063 -10.234 1.00 0.00 H new ATOM 0 HA ASP A 102 -8.911 -2.012 -12.878 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -8.973 -0.040 -10.634 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -9.023 0.683 -12.229 1.00 0.00 H new ATOM 1591 N GLY A 103 -6.169 -0.370 -12.205 1.00 0.00 N ATOM 1592 CA GLY A 103 -4.957 0.257 -12.726 1.00 0.00 C ATOM 1593 C GLY A 103 -4.936 1.770 -12.667 1.00 0.00 C ATOM 1594 O GLY A 103 -4.117 2.436 -13.296 1.00 0.00 O ATOM 0 H GLY A 103 -6.147 -0.541 -11.200 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -4.102 -0.124 -12.168 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -4.825 -0.052 -13.763 1.00 0.00 H new ATOM 1598 N HIS A 104 -5.851 2.259 -11.846 1.00 0.00 N ATOM 1599 CA HIS A 104 -5.941 3.682 -11.556 1.00 0.00 C ATOM 1600 C HIS A 104 -5.015 4.000 -10.378 1.00 0.00 C ATOM 1601 O HIS A 104 -4.746 3.188 -9.486 1.00 0.00 O ATOM 1602 CB HIS A 104 -7.396 4.087 -11.288 1.00 0.00 C ATOM 1603 CG HIS A 104 -8.012 3.484 -10.024 1.00 0.00 C ATOM 1604 ND1 HIS A 104 -8.929 2.523 -9.974 1.00 0.00 N ATOM 1605 CD2 HIS A 104 -7.835 3.931 -8.792 1.00 0.00 C ATOM 1606 CE1 HIS A 104 -9.331 2.385 -8.722 1.00 0.00 C ATOM 1607 NE2 HIS A 104 -8.636 3.243 -7.979 1.00 0.00 N ATOM 0 H HIS A 104 -6.546 1.688 -11.366 1.00 0.00 H new ATOM 0 HA HIS A 104 -5.615 4.267 -12.416 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -7.448 5.173 -11.217 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -8.003 3.794 -12.145 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -7.158 4.718 -8.496 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -10.087 1.700 -8.367 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -8.704 3.354 -6.967 1.00 0.00 H new ATOM 1616 N ASP A 105 -4.722 5.283 -10.347 1.00 0.00 N ATOM 1617 CA ASP A 105 -3.901 5.890 -9.306 1.00 0.00 C ATOM 1618 C ASP A 105 -4.813 6.562 -8.286 1.00 0.00 C ATOM 1619 O ASP A 105 -5.226 7.708 -8.453 1.00 0.00 O ATOM 1620 CB ASP A 105 -2.863 6.857 -9.927 1.00 0.00 C ATOM 1621 CG ASP A 105 -3.326 7.555 -11.212 1.00 0.00 C ATOM 1622 OD1 ASP A 105 -3.237 6.888 -12.267 1.00 0.00 O ATOM 1623 OD2 ASP A 105 -3.904 8.653 -11.110 1.00 0.00 O ATOM 0 H ASP A 105 -5.048 5.946 -11.050 1.00 0.00 H new ATOM 0 HA ASP A 105 -3.324 5.128 -8.782 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -2.607 7.617 -9.189 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -1.950 6.300 -10.141 1.00 0.00 H new ATOM 1628 N TYR A 106 -5.320 5.700 -7.395 1.00 0.00 N ATOM 1629 CA TYR A 106 -6.138 6.122 -6.235 1.00 0.00 C ATOM 1630 C TYR A 106 -5.658 7.483 -5.731 1.00 0.00 C ATOM 1631 O TYR A 106 -4.450 7.713 -5.656 1.00 0.00 O ATOM 1632 CB TYR A 106 -5.942 5.082 -5.126 1.00 0.00 C ATOM 1633 CG TYR A 106 -6.406 5.455 -3.709 1.00 0.00 C ATOM 1634 CD1 TYR A 106 -7.640 6.100 -3.470 1.00 0.00 C ATOM 1635 CD2 TYR A 106 -5.475 5.224 -2.673 1.00 0.00 C ATOM 1636 CE1 TYR A 106 -7.929 6.587 -2.187 1.00 0.00 C ATOM 1637 CE2 TYR A 106 -5.768 5.683 -1.370 1.00 0.00 C ATOM 1638 CZ TYR A 106 -6.982 6.371 -1.156 1.00 0.00 C ATOM 1639 OH TYR A 106 -7.244 6.860 0.065 1.00 0.00 O ATOM 0 H TYR A 106 -5.179 4.691 -7.452 1.00 0.00 H new ATOM 0 HA TYR A 106 -7.187 6.199 -6.520 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -6.465 4.173 -5.422 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -4.881 4.838 -5.078 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -8.356 6.217 -4.270 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -4.551 4.703 -2.874 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -8.851 7.114 -1.990 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -5.079 5.512 -0.556 1.00 0.00 H new ATOM 0 HH TYR A 106 -7.558 6.136 0.647 1.00 0.00 H new ATOM 1649 N LYS A 107 -6.627 8.329 -5.412 1.00 0.00 N ATOM 1650 CA LYS A 107 -6.394 9.646 -4.802 1.00 0.00 C ATOM 1651 C LYS A 107 -5.784 9.507 -3.389 1.00 0.00 C ATOM 1652 O LYS A 107 -6.333 9.925 -2.370 1.00 0.00 O ATOM 1653 CB LYS A 107 -7.678 10.501 -4.828 1.00 0.00 C ATOM 1654 CG LYS A 107 -8.885 9.822 -4.169 1.00 0.00 C ATOM 1655 CD LYS A 107 -10.001 9.477 -5.162 1.00 0.00 C ATOM 1656 CE LYS A 107 -11.198 10.404 -4.990 1.00 0.00 C ATOM 1657 NZ LYS A 107 -11.158 11.523 -5.947 1.00 0.00 N ATOM 0 H LYS A 107 -7.614 8.124 -5.569 1.00 0.00 H new ATOM 0 HA LYS A 107 -5.656 10.181 -5.400 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -7.484 11.447 -4.323 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -7.926 10.737 -5.863 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -8.554 8.910 -3.673 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -9.285 10.478 -3.396 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -9.621 9.554 -6.181 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -10.314 8.443 -5.016 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -12.120 9.839 -5.128 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -11.213 10.795 -3.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -11.987 12.134 -5.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -10.290 12.076 -5.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -11.168 11.150 -6.918 1.00 0.00 H new ATOM 1671 N PHE A 108 -4.537 9.052 -3.409 1.00 0.00 N ATOM 1672 CA PHE A 108 -3.699 8.883 -2.214 1.00 0.00 C ATOM 1673 C PHE A 108 -3.244 10.228 -1.606 1.00 0.00 C ATOM 1674 O PHE A 108 -2.535 10.330 -0.608 1.00 0.00 O ATOM 1675 CB PHE A 108 -2.525 7.933 -2.494 1.00 0.00 C ATOM 1676 CG PHE A 108 -1.496 8.506 -3.461 1.00 0.00 C ATOM 1677 CD1 PHE A 108 -0.632 9.514 -3.005 1.00 0.00 C ATOM 1678 CD2 PHE A 108 -1.546 8.168 -4.836 1.00 0.00 C ATOM 1679 CE1 PHE A 108 0.134 10.250 -3.928 1.00 0.00 C ATOM 1680 CE2 PHE A 108 -0.731 8.852 -5.764 1.00 0.00 C ATOM 1681 CZ PHE A 108 0.094 9.899 -5.288 1.00 0.00 C ATOM 0 H PHE A 108 -4.064 8.783 -4.272 1.00 0.00 H new ATOM 0 HA PHE A 108 -4.320 8.416 -1.449 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -2.032 7.691 -1.553 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -2.913 6.999 -2.900 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -0.555 9.724 -1.948 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -2.209 7.386 -5.175 1.00 0.00 H new ATOM 0 HE1 PHE A 108 0.746 11.075 -3.595 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -0.737 8.583 -6.810 1.00 0.00 H new ATOM 0 HZ PHE A 108 0.710 10.443 -5.989 1.00 0.00 H new ATOM 1691 N ASP A 109 -3.541 11.276 -2.351 1.00 0.00 N ATOM 1692 CA ASP A 109 -3.280 12.669 -1.939 1.00 0.00 C ATOM 1693 C ASP A 109 -4.505 13.317 -1.260 1.00 0.00 C ATOM 1694 O ASP A 109 -4.383 14.412 -0.714 1.00 0.00 O ATOM 1695 CB ASP A 109 -2.797 13.512 -3.124 1.00 0.00 C ATOM 1696 CG ASP A 109 -3.829 13.677 -4.244 1.00 0.00 C ATOM 1697 OD1 ASP A 109 -4.952 14.128 -3.933 1.00 0.00 O ATOM 1698 OD2 ASP A 109 -3.513 13.241 -5.369 1.00 0.00 O ATOM 0 H ASP A 109 -3.975 11.198 -3.271 1.00 0.00 H new ATOM 0 HA ASP A 109 -2.484 12.637 -1.195 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -2.512 14.499 -2.760 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -1.899 13.054 -3.538 1.00 0.00 H new ATOM 1703 N SER A 110 -5.642 12.628 -1.284 1.00 0.00 N ATOM 1704 CA SER A 110 -6.911 13.163 -0.744 1.00 0.00 C ATOM 1705 C SER A 110 -7.065 12.719 0.711 1.00 0.00 C ATOM 1706 O SER A 110 -7.273 11.545 0.992 1.00 0.00 O ATOM 1707 CB SER A 110 -8.093 12.646 -1.561 1.00 0.00 C ATOM 1708 OG SER A 110 -8.991 13.732 -1.806 1.00 0.00 O ATOM 0 H SER A 110 -5.721 11.688 -1.673 1.00 0.00 H new ATOM 0 HA SER A 110 -6.892 14.251 -0.801 1.00 0.00 H new ATOM 0 HB2 SER A 110 -7.745 12.224 -2.504 1.00 0.00 H new ATOM 0 HB3 SER A 110 -8.604 11.847 -1.023 1.00 0.00 H new ATOM 0 HG SER A 110 -9.754 13.413 -2.332 1.00 0.00 H new ATOM 1714 N LYS A 111 -6.648 13.635 1.589 1.00 0.00 N ATOM 1715 CA LYS A 111 -6.694 13.409 3.052 1.00 0.00 C ATOM 1716 C LYS A 111 -8.118 13.168 3.542 1.00 0.00 C ATOM 1717 O LYS A 111 -8.467 12.077 3.991 1.00 0.00 O ATOM 1718 CB LYS A 111 -6.009 14.559 3.805 1.00 0.00 C ATOM 1719 CG LYS A 111 -5.467 14.086 5.163 1.00 0.00 C ATOM 1720 CD LYS A 111 -4.068 14.653 5.422 1.00 0.00 C ATOM 1721 CE LYS A 111 -3.210 13.641 6.196 1.00 0.00 C ATOM 1722 NZ LYS A 111 -2.714 14.211 7.448 1.00 0.00 N ATOM 0 H LYS A 111 -6.273 14.544 1.320 1.00 0.00 H new ATOM 0 HA LYS A 111 -6.135 12.499 3.268 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -5.192 14.957 3.203 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -6.719 15.372 3.957 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -6.144 14.400 5.958 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -5.432 12.997 5.185 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -3.587 14.896 4.475 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -4.145 15.581 5.988 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -3.799 12.749 6.409 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -2.368 13.327 5.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -2.138 13.503 7.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -2.132 15.048 7.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -3.518 14.488 8.046 1.00 0.00 H new ATOM 1736 N LYS A 112 -8.908 14.209 3.367 1.00 0.00 N ATOM 1737 CA LYS A 112 -10.332 14.172 3.711 1.00 0.00 C ATOM 1738 C LYS A 112 -11.198 14.765 2.574 1.00 0.00 C ATOM 1739 O LYS A 112 -10.885 15.854 2.075 1.00 0.00 O ATOM 1740 CB LYS A 112 -10.548 14.763 5.115 1.00 0.00 C ATOM 1741 CG LYS A 112 -10.178 16.236 5.260 1.00 0.00 C ATOM 1742 CD LYS A 112 -11.427 17.068 4.986 1.00 0.00 C ATOM 1743 CE LYS A 112 -11.630 18.076 6.108 1.00 0.00 C ATOM 1744 NZ LYS A 112 -13.079 18.262 6.268 1.00 0.00 N ATOM 0 H LYS A 112 -8.593 15.101 2.986 1.00 0.00 H new ATOM 0 HA LYS A 112 -10.685 13.143 3.785 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -11.596 14.639 5.387 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -9.962 14.185 5.830 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -9.800 16.436 6.262 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -9.384 16.500 4.561 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -11.328 17.586 4.032 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -12.298 16.418 4.907 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -11.184 17.715 7.035 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -11.145 19.022 5.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -13.259 18.947 7.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -13.484 18.618 5.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -13.521 17.352 6.509 1.00 0.00 H new ATOM 1758 N PRO A 113 -12.124 13.957 2.054 1.00 0.00 N ATOM 1759 CA PRO A 113 -12.331 12.541 2.436 1.00 0.00 C ATOM 1760 C PRO A 113 -11.264 11.628 1.802 1.00 0.00 C ATOM 1761 O PRO A 113 -10.365 12.094 1.109 1.00 0.00 O ATOM 1762 CB PRO A 113 -13.756 12.226 1.963 1.00 0.00 C ATOM 1763 CG PRO A 113 -13.925 13.115 0.738 1.00 0.00 C ATOM 1764 CD PRO A 113 -13.130 14.383 1.066 1.00 0.00 C ATOM 0 HA PRO A 113 -12.225 12.368 3.507 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -13.873 11.171 1.713 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -14.494 12.455 2.731 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -13.543 12.629 -0.160 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -14.975 13.342 0.555 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -12.658 14.795 0.174 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -13.777 15.161 1.472 1.00 0.00 H new ATOM 1772 N LYS A 114 -11.372 10.354 2.123 1.00 0.00 N ATOM 1773 CA LYS A 114 -10.399 9.332 1.719 1.00 0.00 C ATOM 1774 C LYS A 114 -11.115 7.972 1.700 1.00 0.00 C ATOM 1775 O LYS A 114 -11.614 7.504 2.727 1.00 0.00 O ATOM 1776 CB LYS A 114 -9.254 9.327 2.728 1.00 0.00 C ATOM 1777 CG LYS A 114 -8.232 8.232 2.421 1.00 0.00 C ATOM 1778 CD LYS A 114 -7.752 7.513 3.681 1.00 0.00 C ATOM 1779 CE LYS A 114 -6.984 6.238 3.329 1.00 0.00 C ATOM 1780 NZ LYS A 114 -7.894 5.105 3.117 1.00 0.00 N ATOM 0 H LYS A 114 -12.144 9.985 2.678 1.00 0.00 H new ATOM 0 HA LYS A 114 -9.993 9.538 0.728 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -8.759 10.298 2.721 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -9.654 9.180 3.731 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -8.675 7.507 1.738 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -7.376 8.671 1.908 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -7.112 8.178 4.261 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -8.607 7.264 4.310 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -6.392 6.405 2.429 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -6.285 6.000 4.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -7.403 4.361 2.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -8.196 4.726 4.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -8.728 5.424 2.583 1.00 0.00 H new ATOM 1794 N GLU A 115 -11.278 7.447 0.491 1.00 0.00 N ATOM 1795 CA GLU A 115 -11.856 6.102 0.292 1.00 0.00 C ATOM 1796 C GLU A 115 -10.933 5.056 0.939 1.00 0.00 C ATOM 1797 O GLU A 115 -9.710 5.175 0.901 1.00 0.00 O ATOM 1798 CB GLU A 115 -12.028 5.812 -1.202 1.00 0.00 C ATOM 1799 CG GLU A 115 -12.769 4.488 -1.457 1.00 0.00 C ATOM 1800 CD GLU A 115 -12.882 4.117 -2.931 1.00 0.00 C ATOM 1801 OE1 GLU A 115 -13.344 4.995 -3.700 1.00 0.00 O ATOM 1802 OE2 GLU A 115 -12.557 2.957 -3.253 1.00 0.00 O ATOM 0 H GLU A 115 -11.021 7.924 -0.373 1.00 0.00 H new ATOM 0 HA GLU A 115 -12.839 6.056 0.761 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -12.578 6.630 -1.668 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -11.048 5.775 -1.678 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -12.252 3.686 -0.929 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -13.770 4.556 -1.032 1.00 0.00 H new ATOM 1809 N ASN A 116 -11.564 3.989 1.425 1.00 0.00 N ATOM 1810 CA ASN A 116 -10.874 2.824 2.016 1.00 0.00 C ATOM 1811 C ASN A 116 -9.810 2.291 1.044 1.00 0.00 C ATOM 1812 O ASN A 116 -10.047 2.297 -0.176 1.00 0.00 O ATOM 1813 CB ASN A 116 -11.915 1.742 2.322 1.00 0.00 C ATOM 1814 CG ASN A 116 -11.488 0.962 3.576 1.00 0.00 C ATOM 1815 OD1 ASN A 116 -11.430 1.494 4.672 1.00 0.00 O ATOM 1816 ND2 ASN A 116 -11.078 -0.267 3.425 1.00 0.00 N ATOM 0 H ASN A 116 -12.580 3.899 1.424 1.00 0.00 H new ATOM 0 HA ASN A 116 -10.372 3.117 2.938 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -12.893 2.197 2.479 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -12.011 1.064 1.474 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -10.709 -0.783 4.224 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -11.127 -0.712 2.508 1.00 0.00 H new ATOM 1823 N PRO A 117 -8.632 1.917 1.547 1.00 0.00 N ATOM 1824 CA PRO A 117 -7.542 1.392 0.702 1.00 0.00 C ATOM 1825 C PRO A 117 -7.874 -0.007 0.165 1.00 0.00 C ATOM 1826 O PRO A 117 -8.991 -0.501 0.310 1.00 0.00 O ATOM 1827 CB PRO A 117 -6.319 1.439 1.619 1.00 0.00 C ATOM 1828 CG PRO A 117 -6.888 1.216 3.017 1.00 0.00 C ATOM 1829 CD PRO A 117 -8.223 1.943 2.968 1.00 0.00 C ATOM 0 HA PRO A 117 -7.371 1.971 -0.205 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -5.595 0.668 1.356 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -5.804 2.397 1.547 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -7.015 0.156 3.236 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -6.235 1.625 3.788 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -8.962 1.450 3.599 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -8.127 2.966 3.331 1.00 0.00 H new ATOM 1837 N GLY A 118 -6.841 -0.675 -0.351 1.00 0.00 N ATOM 1838 CA GLY A 118 -6.933 -2.022 -0.955 1.00 0.00 C ATOM 1839 C GLY A 118 -6.090 -3.049 -0.176 1.00 0.00 C ATOM 1840 O GLY A 118 -5.265 -2.625 0.636 1.00 0.00 O ATOM 0 H GLY A 118 -5.895 -0.295 -0.365 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -7.974 -2.343 -0.973 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -6.594 -1.982 -1.990 1.00 0.00 H new ATOM 1844 N PRO A 119 -6.352 -4.357 -0.348 1.00 0.00 N ATOM 1845 CA PRO A 119 -5.552 -5.424 0.295 1.00 0.00 C ATOM 1846 C PRO A 119 -4.173 -5.553 -0.363 1.00 0.00 C ATOM 1847 O PRO A 119 -3.154 -5.378 0.299 1.00 0.00 O ATOM 1848 CB PRO A 119 -6.399 -6.687 0.196 1.00 0.00 C ATOM 1849 CG PRO A 119 -7.336 -6.443 -0.986 1.00 0.00 C ATOM 1850 CD PRO A 119 -7.505 -4.928 -1.075 1.00 0.00 C ATOM 0 HA PRO A 119 -5.330 -5.208 1.340 1.00 0.00 H new ATOM 0 HB2 PRO A 119 -5.777 -7.567 0.032 1.00 0.00 H new ATOM 0 HB3 PRO A 119 -6.959 -6.859 1.115 1.00 0.00 H new ATOM 0 HG2 PRO A 119 -6.916 -6.845 -1.908 1.00 0.00 H new ATOM 0 HG3 PRO A 119 -8.296 -6.936 -0.832 1.00 0.00 H new ATOM 0 HD2 PRO A 119 -7.518 -4.595 -2.113 1.00 0.00 H new ATOM 0 HD3 PRO A 119 -8.447 -4.611 -0.627 1.00 0.00 H new ATOM 1858 N ALA A 120 -4.168 -5.840 -1.664 1.00 0.00 N ATOM 1859 CA ALA A 120 -2.942 -5.899 -2.466 1.00 0.00 C ATOM 1860 C ALA A 120 -2.271 -4.542 -2.633 1.00 0.00 C ATOM 1861 O ALA A 120 -2.907 -3.530 -2.937 1.00 0.00 O ATOM 1862 CB ALA A 120 -3.215 -6.549 -3.815 1.00 0.00 C ATOM 0 H ALA A 120 -5.016 -6.039 -2.195 1.00 0.00 H new ATOM 0 HA ALA A 120 -2.235 -6.519 -1.914 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -2.293 -6.584 -4.395 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -3.586 -7.563 -3.662 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -3.962 -5.967 -4.355 1.00 0.00 H new ATOM 1868 N ARG A 121 -1.024 -4.557 -2.222 1.00 0.00 N ATOM 1869 CA ARG A 121 -0.175 -3.366 -2.163 1.00 0.00 C ATOM 1870 C ARG A 121 1.193 -3.609 -2.803 1.00 0.00 C ATOM 1871 O ARG A 121 1.810 -4.646 -2.599 1.00 0.00 O ATOM 1872 CB ARG A 121 -0.006 -2.924 -0.717 1.00 0.00 C ATOM 1873 CG ARG A 121 -1.334 -2.568 -0.040 1.00 0.00 C ATOM 1874 CD ARG A 121 -1.164 -1.304 0.806 1.00 0.00 C ATOM 1875 NE ARG A 121 -2.367 -1.071 1.608 1.00 0.00 N ATOM 1876 CZ ARG A 121 -2.532 -1.525 2.846 1.00 0.00 C ATOM 1877 NH1 ARG A 121 -1.599 -2.239 3.452 1.00 0.00 N ATOM 1878 NH2 ARG A 121 -3.659 -1.287 3.500 1.00 0.00 N ATOM 0 H ARG A 121 -0.553 -5.407 -1.912 1.00 0.00 H new ATOM 0 HA ARG A 121 -0.667 -2.577 -2.732 1.00 0.00 H new ATOM 0 HB2 ARG A 121 0.480 -3.721 -0.154 1.00 0.00 H new ATOM 0 HB3 ARG A 121 0.656 -2.059 -0.682 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -2.106 -2.411 -0.793 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -1.665 -3.395 0.588 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -0.297 -1.407 1.458 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -0.976 -0.447 0.160 1.00 0.00 H new ATOM 0 HE ARG A 121 -3.123 -0.528 1.192 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -0.727 -2.454 2.969 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -1.751 -2.575 4.403 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -4.405 -0.753 3.054 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -3.781 -1.638 4.450 1.00 0.00 H new ATOM 1892 N VAL A 122 1.638 -2.595 -3.533 1.00 0.00 N ATOM 1893 CA VAL A 122 2.951 -2.633 -4.216 1.00 0.00 C ATOM 1894 C VAL A 122 4.065 -2.325 -3.206 1.00 0.00 C ATOM 1895 O VAL A 122 3.878 -1.513 -2.299 1.00 0.00 O ATOM 1896 CB VAL A 122 2.965 -1.700 -5.443 1.00 0.00 C ATOM 1897 CG1 VAL A 122 2.809 -0.210 -5.101 1.00 0.00 C ATOM 1898 CG2 VAL A 122 4.235 -1.901 -6.276 1.00 0.00 C ATOM 0 H VAL A 122 1.118 -1.729 -3.675 1.00 0.00 H new ATOM 0 HA VAL A 122 3.134 -3.634 -4.605 1.00 0.00 H new ATOM 0 HB VAL A 122 2.087 -1.985 -6.023 1.00 0.00 H new ATOM 0 HG11 VAL A 122 2.829 0.378 -6.019 1.00 0.00 H new ATOM 0 HG12 VAL A 122 1.860 -0.052 -4.589 1.00 0.00 H new ATOM 0 HG13 VAL A 122 3.627 0.102 -4.452 1.00 0.00 H new ATOM 0 HG21 VAL A 122 4.217 -1.230 -7.135 1.00 0.00 H new ATOM 0 HG22 VAL A 122 5.110 -1.683 -5.664 1.00 0.00 H new ATOM 0 HG23 VAL A 122 4.283 -2.933 -6.623 1.00 0.00 H new ATOM 1908 N ILE A 123 5.170 -3.039 -3.399 1.00 0.00 N ATOM 1909 CA ILE A 123 6.366 -2.920 -2.557 1.00 0.00 C ATOM 1910 C ILE A 123 7.574 -2.635 -3.451 1.00 0.00 C ATOM 1911 O ILE A 123 7.797 -3.315 -4.456 1.00 0.00 O ATOM 1912 CB ILE A 123 6.584 -4.191 -1.719 1.00 0.00 C ATOM 1913 CG1 ILE A 123 5.331 -4.626 -0.947 1.00 0.00 C ATOM 1914 CG2 ILE A 123 7.761 -4.039 -0.754 1.00 0.00 C ATOM 1915 CD1 ILE A 123 4.783 -3.570 0.029 1.00 0.00 C ATOM 0 H ILE A 123 5.266 -3.723 -4.149 1.00 0.00 H new ATOM 0 HA ILE A 123 6.233 -2.096 -1.856 1.00 0.00 H new ATOM 0 HB ILE A 123 6.815 -4.976 -2.439 1.00 0.00 H new ATOM 0 HG12 ILE A 123 4.549 -4.881 -1.663 1.00 0.00 H new ATOM 0 HG13 ILE A 123 5.561 -5.534 -0.389 1.00 0.00 H new ATOM 0 HG21 ILE A 123 7.882 -4.958 -0.180 1.00 0.00 H new ATOM 0 HG22 ILE A 123 8.672 -3.841 -1.319 1.00 0.00 H new ATOM 0 HG23 ILE A 123 7.569 -3.209 -0.074 1.00 0.00 H new ATOM 0 HD11 ILE A 123 3.898 -3.962 0.530 1.00 0.00 H new ATOM 0 HD12 ILE A 123 5.545 -3.331 0.771 1.00 0.00 H new ATOM 0 HD13 ILE A 123 4.517 -2.668 -0.522 1.00 0.00 H new ATOM 1927 N TYR A 124 8.367 -1.691 -2.967 1.00 0.00 N ATOM 1928 CA TYR A 124 9.549 -1.159 -3.679 1.00 0.00 C ATOM 1929 C TYR A 124 10.397 -0.263 -2.768 1.00 0.00 C ATOM 1930 O TYR A 124 9.885 0.384 -1.852 1.00 0.00 O ATOM 1931 CB TYR A 124 9.121 -0.370 -4.930 1.00 0.00 C ATOM 1932 CG TYR A 124 8.109 0.745 -4.613 1.00 0.00 C ATOM 1933 CD1 TYR A 124 6.747 0.407 -4.460 1.00 0.00 C ATOM 1934 CD2 TYR A 124 8.564 2.064 -4.467 1.00 0.00 C ATOM 1935 CE1 TYR A 124 5.824 1.402 -4.114 1.00 0.00 C ATOM 1936 CE2 TYR A 124 7.643 3.076 -4.176 1.00 0.00 C ATOM 1937 CZ TYR A 124 6.277 2.733 -4.010 1.00 0.00 C ATOM 1938 OH TYR A 124 5.382 3.700 -3.697 1.00 0.00 O ATOM 0 H TYR A 124 8.216 -1.258 -2.056 1.00 0.00 H new ATOM 0 HA TYR A 124 10.156 -2.012 -3.983 1.00 0.00 H new ATOM 0 HB2 TYR A 124 10.003 0.068 -5.397 1.00 0.00 H new ATOM 0 HB3 TYR A 124 8.684 -1.056 -5.655 1.00 0.00 H new ATOM 0 HD1 TYR A 124 6.419 -0.611 -4.609 1.00 0.00 H new ATOM 0 HD2 TYR A 124 9.613 2.295 -4.578 1.00 0.00 H new ATOM 0 HE1 TYR A 124 4.789 1.155 -3.931 1.00 0.00 H new ATOM 0 HE2 TYR A 124 7.967 4.102 -4.079 1.00 0.00 H new ATOM 0 HH TYR A 124 5.837 4.567 -3.659 1.00 0.00 H new ATOM 1948 N THR A 125 11.695 -0.444 -2.924 1.00 0.00 N ATOM 1949 CA THR A 125 12.718 0.304 -2.156 1.00 0.00 C ATOM 1950 C THR A 125 12.723 1.778 -2.598 1.00 0.00 C ATOM 1951 O THR A 125 11.837 2.222 -3.335 1.00 0.00 O ATOM 1952 CB THR A 125 14.108 -0.350 -2.275 1.00 0.00 C ATOM 1953 OG1 THR A 125 14.646 -0.108 -3.582 1.00 0.00 O ATOM 1954 CG2 THR A 125 14.121 -1.857 -2.026 1.00 0.00 C ATOM 0 H THR A 125 12.089 -1.113 -3.586 1.00 0.00 H new ATOM 0 HA THR A 125 12.460 0.270 -1.097 1.00 0.00 H new ATOM 0 HB THR A 125 14.712 0.109 -1.492 1.00 0.00 H new ATOM 0 HG1 THR A 125 15.531 -0.524 -3.654 1.00 0.00 H new ATOM 0 HG21 THR A 125 15.138 -2.234 -2.130 1.00 0.00 H new ATOM 0 HG22 THR A 125 13.759 -2.062 -1.019 1.00 0.00 H new ATOM 0 HG23 THR A 125 13.475 -2.351 -2.751 1.00 0.00 H new ATOM 1962 N TYR A 126 13.770 2.516 -2.232 1.00 0.00 N ATOM 1963 CA TYR A 126 13.920 3.947 -2.554 1.00 0.00 C ATOM 1964 C TYR A 126 15.397 4.407 -2.420 1.00 0.00 C ATOM 1965 O TYR A 126 16.100 3.840 -1.594 1.00 0.00 O ATOM 1966 CB TYR A 126 12.963 4.724 -1.626 1.00 0.00 C ATOM 1967 CG TYR A 126 13.318 6.199 -1.461 1.00 0.00 C ATOM 1968 CD1 TYR A 126 12.850 7.163 -2.372 1.00 0.00 C ATOM 1969 CD2 TYR A 126 14.300 6.533 -0.510 1.00 0.00 C ATOM 1970 CE1 TYR A 126 13.365 8.471 -2.368 1.00 0.00 C ATOM 1971 CE2 TYR A 126 14.841 7.827 -0.511 1.00 0.00 C ATOM 1972 CZ TYR A 126 14.361 8.780 -1.430 1.00 0.00 C ATOM 1973 OH TYR A 126 14.791 10.057 -1.337 1.00 0.00 O ATOM 0 H TYR A 126 14.552 2.138 -1.696 1.00 0.00 H new ATOM 0 HA TYR A 126 13.657 4.143 -3.594 1.00 0.00 H new ATOM 0 HB2 TYR A 126 11.950 4.647 -2.020 1.00 0.00 H new ATOM 0 HB3 TYR A 126 12.961 4.250 -0.645 1.00 0.00 H new ATOM 0 HD1 TYR A 126 12.084 6.895 -3.085 1.00 0.00 H new ATOM 0 HD2 TYR A 126 14.633 5.802 0.212 1.00 0.00 H new ATOM 0 HE1 TYR A 126 13.005 9.214 -3.065 1.00 0.00 H new ATOM 0 HE2 TYR A 126 15.621 8.091 0.188 1.00 0.00 H new ATOM 0 HH TYR A 126 15.522 10.110 -0.686 1.00 0.00 H new ATOM 1983 N PRO A 127 15.862 5.328 -3.286 1.00 0.00 N ATOM 1984 CA PRO A 127 15.163 5.842 -4.488 1.00 0.00 C ATOM 1985 C PRO A 127 15.173 4.871 -5.667 1.00 0.00 C ATOM 1986 O PRO A 127 14.428 5.056 -6.619 1.00 0.00 O ATOM 1987 CB PRO A 127 15.854 7.160 -4.826 1.00 0.00 C ATOM 1988 CG PRO A 127 17.275 6.978 -4.292 1.00 0.00 C ATOM 1989 CD PRO A 127 17.115 6.081 -3.056 1.00 0.00 C ATOM 0 HA PRO A 127 14.102 5.977 -4.280 1.00 0.00 H new ATOM 0 HB2 PRO A 127 15.852 7.348 -5.900 1.00 0.00 H new ATOM 0 HB3 PRO A 127 15.355 8.006 -4.353 1.00 0.00 H new ATOM 0 HG2 PRO A 127 17.922 6.514 -5.037 1.00 0.00 H new ATOM 0 HG3 PRO A 127 17.726 7.936 -4.031 1.00 0.00 H new ATOM 0 HD2 PRO A 127 17.965 5.408 -2.945 1.00 0.00 H new ATOM 0 HD3 PRO A 127 17.057 6.674 -2.143 1.00 0.00 H new ATOM 1997 N ASN A 128 15.846 3.749 -5.431 1.00 0.00 N ATOM 1998 CA ASN A 128 15.908 2.613 -6.358 1.00 0.00 C ATOM 1999 C ASN A 128 14.532 2.252 -6.927 1.00 0.00 C ATOM 2000 O ASN A 128 14.433 2.033 -8.132 1.00 0.00 O ATOM 2001 CB ASN A 128 16.499 1.415 -5.612 1.00 0.00 C ATOM 2002 CG ASN A 128 17.734 0.863 -6.324 1.00 0.00 C ATOM 2003 OD1 ASN A 128 18.729 0.499 -5.715 1.00 0.00 O ATOM 2004 ND2 ASN A 128 17.687 0.792 -7.633 1.00 0.00 N ATOM 0 H ASN A 128 16.376 3.596 -4.573 1.00 0.00 H new ATOM 0 HA ASN A 128 16.536 2.890 -7.205 1.00 0.00 H new ATOM 0 HB2 ASN A 128 16.765 1.712 -4.598 1.00 0.00 H new ATOM 0 HB3 ASN A 128 15.746 0.631 -5.527 1.00 0.00 H new ATOM 0 HD21 ASN A 128 18.486 0.430 -8.153 1.00 0.00 H new ATOM 0 HD22 ASN A 128 16.851 1.099 -8.131 1.00 0.00 H new ATOM 2011 N LYS A 129 13.517 2.189 -6.060 1.00 0.00 N ATOM 2012 CA LYS A 129 12.130 1.839 -6.433 1.00 0.00 C ATOM 2013 C LYS A 129 12.040 0.480 -7.134 1.00 0.00 C ATOM 2014 O LYS A 129 11.149 0.224 -7.944 1.00 0.00 O ATOM 2015 CB LYS A 129 11.460 2.913 -7.301 1.00 0.00 C ATOM 2016 CG LYS A 129 11.117 4.154 -6.495 1.00 0.00 C ATOM 2017 CD LYS A 129 10.299 5.116 -7.361 1.00 0.00 C ATOM 2018 CE LYS A 129 8.833 5.118 -6.960 1.00 0.00 C ATOM 2019 NZ LYS A 129 8.191 6.267 -7.606 1.00 0.00 N ATOM 0 H LYS A 129 13.630 2.381 -5.065 1.00 0.00 H new ATOM 0 HA LYS A 129 11.588 1.779 -5.489 1.00 0.00 H new ATOM 0 HB2 LYS A 129 12.124 3.184 -8.122 1.00 0.00 H new ATOM 0 HB3 LYS A 129 10.552 2.506 -7.747 1.00 0.00 H new ATOM 0 HG2 LYS A 129 10.551 3.878 -5.605 1.00 0.00 H new ATOM 0 HG3 LYS A 129 12.030 4.642 -6.153 1.00 0.00 H new ATOM 0 HD2 LYS A 129 10.704 6.124 -7.269 1.00 0.00 H new ATOM 0 HD3 LYS A 129 10.390 4.831 -8.409 1.00 0.00 H new ATOM 0 HE2 LYS A 129 8.352 4.189 -7.268 1.00 0.00 H new ATOM 0 HE3 LYS A 129 8.734 5.185 -5.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 7.166 6.236 -7.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 8.582 7.148 -7.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 8.369 6.234 -8.630 1.00 0.00 H new ATOM 2033 N VAL A 130 12.999 -0.381 -6.760 1.00 0.00 N ATOM 2034 CA VAL A 130 13.119 -1.748 -7.278 1.00 0.00 C ATOM 2035 C VAL A 130 11.889 -2.524 -6.801 1.00 0.00 C ATOM 2036 O VAL A 130 11.773 -2.875 -5.628 1.00 0.00 O ATOM 2037 CB VAL A 130 14.430 -2.418 -6.842 1.00 0.00 C ATOM 2038 CG1 VAL A 130 14.531 -3.876 -7.321 1.00 0.00 C ATOM 2039 CG2 VAL A 130 15.633 -1.687 -7.430 1.00 0.00 C ATOM 0 H VAL A 130 13.721 -0.142 -6.080 1.00 0.00 H new ATOM 0 HA VAL A 130 13.155 -1.735 -8.367 1.00 0.00 H new ATOM 0 HB VAL A 130 14.430 -2.382 -5.753 1.00 0.00 H new ATOM 0 HG11 VAL A 130 15.476 -4.304 -6.987 1.00 0.00 H new ATOM 0 HG12 VAL A 130 13.704 -4.453 -6.907 1.00 0.00 H new ATOM 0 HG13 VAL A 130 14.484 -3.905 -8.410 1.00 0.00 H new ATOM 0 HG21 VAL A 130 16.551 -2.179 -7.108 1.00 0.00 H new ATOM 0 HG22 VAL A 130 15.574 -1.706 -8.518 1.00 0.00 H new ATOM 0 HG23 VAL A 130 15.635 -0.653 -7.085 1.00 0.00 H new ATOM 2049 N PHE A 131 10.915 -2.540 -7.712 1.00 0.00 N ATOM 2050 CA PHE A 131 9.663 -3.275 -7.553 1.00 0.00 C ATOM 2051 C PHE A 131 9.985 -4.728 -7.234 1.00 0.00 C ATOM 2052 O PHE A 131 10.652 -5.428 -7.993 1.00 0.00 O ATOM 2053 CB PHE A 131 8.842 -3.103 -8.851 1.00 0.00 C ATOM 2054 CG PHE A 131 7.702 -4.112 -8.976 1.00 0.00 C ATOM 2055 CD1 PHE A 131 6.454 -3.827 -8.372 1.00 0.00 C ATOM 2056 CD2 PHE A 131 7.972 -5.374 -9.546 1.00 0.00 C ATOM 2057 CE1 PHE A 131 5.467 -4.830 -8.325 1.00 0.00 C ATOM 2058 CE2 PHE A 131 6.988 -6.394 -9.481 1.00 0.00 C ATOM 2059 CZ PHE A 131 5.752 -6.098 -8.869 1.00 0.00 C ATOM 0 H PHE A 131 10.977 -2.034 -8.595 1.00 0.00 H new ATOM 0 HA PHE A 131 9.062 -2.895 -6.727 1.00 0.00 H new ATOM 0 HB2 PHE A 131 8.431 -2.094 -8.883 1.00 0.00 H new ATOM 0 HB3 PHE A 131 9.505 -3.205 -9.710 1.00 0.00 H new ATOM 0 HD1 PHE A 131 6.261 -2.851 -7.952 1.00 0.00 H new ATOM 0 HD2 PHE A 131 8.920 -5.562 -10.028 1.00 0.00 H new ATOM 0 HE1 PHE A 131 4.504 -4.630 -7.878 1.00 0.00 H new ATOM 0 HE2 PHE A 131 7.181 -7.375 -9.891 1.00 0.00 H new ATOM 0 HZ PHE A 131 4.998 -6.870 -8.816 1.00 0.00 H new ATOM 2069 N CYS A 132 9.677 -5.068 -5.997 1.00 0.00 N ATOM 2070 CA CYS A 132 9.886 -6.440 -5.525 1.00 0.00 C ATOM 2071 C CYS A 132 8.677 -7.320 -5.865 1.00 0.00 C ATOM 2072 O CYS A 132 8.796 -8.289 -6.615 1.00 0.00 O ATOM 2073 CB CYS A 132 10.219 -6.446 -4.044 1.00 0.00 C ATOM 2074 SG CYS A 132 11.886 -7.178 -3.893 1.00 0.00 S ATOM 0 H CYS A 132 9.287 -4.430 -5.303 1.00 0.00 H new ATOM 0 HA CYS A 132 10.742 -6.871 -6.045 1.00 0.00 H new ATOM 0 HB2 CYS A 132 10.201 -5.435 -3.638 1.00 0.00 H new ATOM 0 HB3 CYS A 132 9.487 -7.028 -3.484 1.00 0.00 H new ATOM 2079 N GLY A 133 7.524 -6.824 -5.446 1.00 0.00 N ATOM 2080 CA GLY A 133 6.244 -7.475 -5.709 1.00 0.00 C ATOM 2081 C GLY A 133 5.039 -6.710 -5.192 1.00 0.00 C ATOM 2082 O GLY A 133 5.105 -5.526 -4.864 1.00 0.00 O ATOM 0 H GLY A 133 7.446 -5.958 -4.913 1.00 0.00 H new ATOM 0 HA2 GLY A 133 6.136 -7.618 -6.784 1.00 0.00 H new ATOM 0 HA3 GLY A 133 6.253 -8.466 -5.255 1.00 0.00 H new ATOM 2086 N ILE A 134 3.966 -7.482 -5.118 1.00 0.00 N ATOM 2087 CA ILE A 134 2.697 -7.024 -4.536 1.00 0.00 C ATOM 2088 C ILE A 134 2.314 -8.023 -3.440 1.00 0.00 C ATOM 2089 O ILE A 134 2.451 -9.228 -3.584 1.00 0.00 O ATOM 2090 CB ILE A 134 1.606 -6.861 -5.612 1.00 0.00 C ATOM 2091 CG1 ILE A 134 1.919 -5.640 -6.469 1.00 0.00 C ATOM 2092 CG2 ILE A 134 0.200 -6.663 -5.053 1.00 0.00 C ATOM 2093 CD1 ILE A 134 2.318 -6.058 -7.882 1.00 0.00 C ATOM 0 H ILE A 134 3.942 -8.444 -5.457 1.00 0.00 H new ATOM 0 HA ILE A 134 2.806 -6.032 -4.098 1.00 0.00 H new ATOM 0 HB ILE A 134 1.615 -7.792 -6.179 1.00 0.00 H new ATOM 0 HG12 ILE A 134 1.048 -4.986 -6.511 1.00 0.00 H new ATOM 0 HG13 ILE A 134 2.726 -5.067 -6.013 1.00 0.00 H new ATOM 0 HG21 ILE A 134 -0.507 -6.557 -5.876 1.00 0.00 H new ATOM 0 HG22 ILE A 134 -0.076 -7.526 -4.447 1.00 0.00 H new ATOM 0 HG23 ILE A 134 0.177 -5.765 -4.436 1.00 0.00 H new ATOM 0 HD11 ILE A 134 2.537 -5.171 -8.476 1.00 0.00 H new ATOM 0 HD12 ILE A 134 3.203 -6.692 -7.837 1.00 0.00 H new ATOM 0 HD13 ILE A 134 1.499 -6.610 -8.343 1.00 0.00 H new ATOM 2105 N ILE A 135 2.037 -7.451 -2.287 1.00 0.00 N ATOM 2106 CA ILE A 135 1.611 -8.228 -1.109 1.00 0.00 C ATOM 2107 C ILE A 135 0.173 -7.871 -0.744 1.00 0.00 C ATOM 2108 O ILE A 135 -0.214 -6.699 -0.770 1.00 0.00 O ATOM 2109 CB ILE A 135 2.557 -7.980 0.065 1.00 0.00 C ATOM 2110 CG1 ILE A 135 2.624 -6.487 0.387 1.00 0.00 C ATOM 2111 CG2 ILE A 135 3.968 -8.520 -0.241 1.00 0.00 C ATOM 2112 CD1 ILE A 135 3.140 -6.270 1.799 1.00 0.00 C ATOM 0 H ILE A 135 2.095 -6.446 -2.126 1.00 0.00 H new ATOM 0 HA ILE A 135 1.650 -9.291 -1.349 1.00 0.00 H new ATOM 0 HB ILE A 135 2.167 -8.512 0.933 1.00 0.00 H new ATOM 0 HG12 ILE A 135 3.277 -5.984 -0.326 1.00 0.00 H new ATOM 0 HG13 ILE A 135 1.635 -6.042 0.283 1.00 0.00 H new ATOM 0 HG21 ILE A 135 4.622 -8.331 0.610 1.00 0.00 H new ATOM 0 HG22 ILE A 135 3.915 -9.593 -0.427 1.00 0.00 H new ATOM 0 HG23 ILE A 135 4.366 -8.018 -1.123 1.00 0.00 H new ATOM 0 HD11 ILE A 135 3.181 -5.202 2.011 1.00 0.00 H new ATOM 0 HD12 ILE A 135 2.471 -6.756 2.509 1.00 0.00 H new ATOM 0 HD13 ILE A 135 4.139 -6.697 1.891 1.00 0.00 H new ATOM 2124 N ALA A 136 -0.587 -8.898 -0.422 1.00 0.00 N ATOM 2125 CA ALA A 136 -2.007 -8.747 -0.064 1.00 0.00 C ATOM 2126 C ALA A 136 -2.373 -9.535 1.183 1.00 0.00 C ATOM 2127 O ALA A 136 -1.855 -10.628 1.408 1.00 0.00 O ATOM 2128 CB ALA A 136 -2.870 -9.245 -1.209 1.00 0.00 C ATOM 0 H ALA A 136 -0.252 -9.861 -0.397 1.00 0.00 H new ATOM 0 HA ALA A 136 -2.180 -7.689 0.133 1.00 0.00 H new ATOM 0 HB1 ALA A 136 -3.922 -9.134 -0.946 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -2.656 -8.663 -2.105 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -2.652 -10.296 -1.399 1.00 0.00 H new ATOM 2134 N HIS A 137 -3.452 -9.099 1.805 1.00 0.00 N ATOM 2135 CA HIS A 137 -3.951 -9.750 3.015 1.00 0.00 C ATOM 2136 C HIS A 137 -4.914 -10.863 2.639 1.00 0.00 C ATOM 2137 O HIS A 137 -5.984 -10.640 2.066 1.00 0.00 O ATOM 2138 CB HIS A 137 -4.674 -8.727 3.897 1.00 0.00 C ATOM 2139 CG HIS A 137 -3.776 -7.549 4.301 1.00 0.00 C ATOM 2140 ND1 HIS A 137 -3.245 -7.316 5.497 1.00 0.00 N ATOM 2141 CD2 HIS A 137 -3.513 -6.511 3.527 1.00 0.00 C ATOM 2142 CE1 HIS A 137 -2.672 -6.125 5.468 1.00 0.00 C ATOM 2143 NE2 HIS A 137 -2.802 -5.641 4.240 1.00 0.00 N ATOM 0 H HIS A 137 -4.004 -8.298 1.498 1.00 0.00 H new ATOM 0 HA HIS A 137 -3.109 -10.169 3.565 1.00 0.00 H new ATOM 0 HB2 HIS A 137 -5.546 -8.347 3.365 1.00 0.00 H new ATOM 0 HB3 HIS A 137 -5.040 -9.223 4.796 1.00 0.00 H new ATOM 0 HD2 HIS A 137 -3.820 -6.390 2.499 1.00 0.00 H new ATOM 0 HE1 HIS A 137 -2.185 -5.633 6.297 1.00 0.00 H new ATOM 0 HE2 HIS A 137 -2.423 -4.757 3.901 1.00 0.00 H new ATOM 2152 N THR A 138 -4.594 -12.072 3.093 1.00 0.00 N ATOM 2153 CA THR A 138 -5.405 -13.276 2.822 1.00 0.00 C ATOM 2154 C THR A 138 -6.645 -13.402 3.733 1.00 0.00 C ATOM 2155 O THR A 138 -7.118 -14.489 4.031 1.00 0.00 O ATOM 2156 CB THR A 138 -4.521 -14.515 2.937 1.00 0.00 C ATOM 2157 OG1 THR A 138 -3.673 -14.378 4.074 1.00 0.00 O ATOM 2158 CG2 THR A 138 -3.742 -14.743 1.641 1.00 0.00 C ATOM 0 H THR A 138 -3.766 -12.254 3.660 1.00 0.00 H new ATOM 0 HA THR A 138 -5.793 -13.183 1.808 1.00 0.00 H new ATOM 0 HB THR A 138 -5.136 -15.403 3.083 1.00 0.00 H new ATOM 0 HG1 THR A 138 -3.103 -15.171 4.155 1.00 0.00 H new ATOM 0 HG21 THR A 138 -3.118 -15.631 1.743 1.00 0.00 H new ATOM 0 HG22 THR A 138 -4.441 -14.884 0.816 1.00 0.00 H new ATOM 0 HG23 THR A 138 -3.111 -13.877 1.438 1.00 0.00 H new ATOM 2166 N LYS A 139 -7.238 -12.243 4.008 1.00 0.00 N ATOM 2167 CA LYS A 139 -8.424 -12.078 4.868 1.00 0.00 C ATOM 2168 C LYS A 139 -8.866 -10.610 4.877 1.00 0.00 C ATOM 2169 O LYS A 139 -8.440 -9.824 5.735 1.00 0.00 O ATOM 2170 CB LYS A 139 -8.163 -12.607 6.281 1.00 0.00 C ATOM 2171 CG LYS A 139 -9.434 -12.656 7.132 1.00 0.00 C ATOM 2172 CD LYS A 139 -9.106 -12.115 8.520 1.00 0.00 C ATOM 2173 CE LYS A 139 -10.386 -11.594 9.169 1.00 0.00 C ATOM 2174 NZ LYS A 139 -10.068 -10.320 9.828 1.00 0.00 N ATOM 0 H LYS A 139 -6.900 -11.358 3.629 1.00 0.00 H new ATOM 0 HA LYS A 139 -9.240 -12.672 4.457 1.00 0.00 H new ATOM 0 HB2 LYS A 139 -7.733 -13.607 6.218 1.00 0.00 H new ATOM 0 HB3 LYS A 139 -7.425 -11.973 6.772 1.00 0.00 H new ATOM 0 HG2 LYS A 139 -10.223 -12.062 6.670 1.00 0.00 H new ATOM 0 HG3 LYS A 139 -9.805 -13.679 7.202 1.00 0.00 H new ATOM 0 HD2 LYS A 139 -8.665 -12.900 9.135 1.00 0.00 H new ATOM 0 HD3 LYS A 139 -8.369 -11.315 8.447 1.00 0.00 H new ATOM 0 HE2 LYS A 139 -11.164 -11.453 8.419 1.00 0.00 H new ATOM 0 HE3 LYS A 139 -10.768 -12.314 9.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 -10.924 -9.940 10.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 -9.335 -10.476 10.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 -9.720 -9.641 9.121 1.00 0.00 H new ATOM 2188 N GLU A 140 -9.592 -10.252 3.822 1.00 0.00 N ATOM 2189 CA GLU A 140 -10.156 -8.897 3.584 1.00 0.00 C ATOM 2190 C GLU A 140 -9.054 -7.849 3.353 1.00 0.00 C ATOM 2191 O GLU A 140 -8.577 -7.697 2.238 1.00 0.00 O ATOM 2192 CB GLU A 140 -11.141 -8.532 4.698 1.00 0.00 C ATOM 2193 CG GLU A 140 -12.596 -8.698 4.240 1.00 0.00 C ATOM 2194 CD GLU A 140 -13.289 -7.333 4.170 1.00 0.00 C ATOM 2195 OE1 GLU A 140 -12.704 -6.421 3.539 1.00 0.00 O ATOM 2196 OE2 GLU A 140 -14.360 -7.227 4.801 1.00 0.00 O ATOM 0 H GLU A 140 -9.820 -10.908 3.075 1.00 0.00 H new ATOM 0 HA GLU A 140 -10.726 -8.908 2.655 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -10.958 -9.163 5.568 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -10.972 -7.502 5.011 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -12.624 -9.179 3.262 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -13.130 -9.350 4.931 1.00 0.00 H new ATOM 2203 N ASN A 141 -8.586 -7.280 4.457 1.00 0.00 N ATOM 2204 CA ASN A 141 -7.498 -6.284 4.492 1.00 0.00 C ATOM 2205 C ASN A 141 -6.779 -6.260 5.854 1.00 0.00 C ATOM 2206 O ASN A 141 -6.529 -5.224 6.455 1.00 0.00 O ATOM 2207 CB ASN A 141 -8.117 -4.924 4.170 1.00 0.00 C ATOM 2208 CG ASN A 141 -7.151 -4.060 3.359 1.00 0.00 C ATOM 2209 OD1 ASN A 141 -5.945 -4.258 3.310 1.00 0.00 O ATOM 2210 ND2 ASN A 141 -7.705 -3.125 2.630 1.00 0.00 N ATOM 0 H ASN A 141 -8.956 -7.498 5.382 1.00 0.00 H new ATOM 0 HA ASN A 141 -6.735 -6.544 3.758 1.00 0.00 H new ATOM 0 HB2 ASN A 141 -9.042 -5.065 3.611 1.00 0.00 H new ATOM 0 HB3 ASN A 141 -8.379 -4.412 5.096 1.00 0.00 H new ATOM 0 HD21 ASN A 141 -7.130 -2.552 2.012 1.00 0.00 H new ATOM 0 HD22 ASN A 141 -8.712 -2.969 2.679 1.00 0.00 H new ATOM 2217 N GLN A 142 -6.640 -7.469 6.411 1.00 0.00 N ATOM 2218 CA GLN A 142 -6.024 -7.694 7.731 1.00 0.00 C ATOM 2219 C GLN A 142 -5.143 -8.944 7.811 1.00 0.00 C ATOM 2220 O GLN A 142 -4.040 -8.864 8.347 1.00 0.00 O ATOM 2221 CB GLN A 142 -7.071 -7.752 8.840 1.00 0.00 C ATOM 2222 CG GLN A 142 -7.130 -6.399 9.543 1.00 0.00 C ATOM 2223 CD GLN A 142 -8.180 -6.391 10.643 1.00 0.00 C ATOM 2224 OE1 GLN A 142 -8.213 -7.208 11.554 1.00 0.00 O ATOM 2225 NE2 GLN A 142 -9.096 -5.458 10.540 1.00 0.00 N ATOM 0 H GLN A 142 -6.953 -8.327 5.958 1.00 0.00 H new ATOM 0 HA GLN A 142 -5.374 -6.831 7.875 1.00 0.00 H new ATOM 0 HB2 GLN A 142 -8.047 -8.002 8.423 1.00 0.00 H new ATOM 0 HB3 GLN A 142 -6.819 -8.536 9.554 1.00 0.00 H new ATOM 0 HG2 GLN A 142 -6.154 -6.165 9.968 1.00 0.00 H new ATOM 0 HG3 GLN A 142 -7.356 -5.619 8.816 1.00 0.00 H new ATOM 0 HE21 GLN A 142 -9.054 -4.785 9.775 1.00 0.00 H new ATOM 0 HE22 GLN A 142 -9.850 -5.406 11.225 1.00 0.00 H new ATOM 2234 N GLY A 143 -5.652 -10.055 7.272 1.00 0.00 N ATOM 2235 CA GLY A 143 -4.941 -11.347 7.217 1.00 0.00 C ATOM 2236 C GLY A 143 -3.477 -11.177 6.807 1.00 0.00 C ATOM 2237 O GLY A 143 -3.120 -10.185 6.169 1.00 0.00 O ATOM 0 H GLY A 143 -6.582 -10.089 6.854 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -4.991 -11.830 8.193 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -5.442 -12.007 6.509 1.00 0.00 H new ATOM 2241 N GLU A 144 -2.638 -12.110 7.246 1.00 0.00 N ATOM 2242 CA GLU A 144 -1.193 -12.037 6.967 1.00 0.00 C ATOM 2243 C GLU A 144 -0.904 -11.672 5.500 1.00 0.00 C ATOM 2244 O GLU A 144 -1.557 -12.195 4.592 1.00 0.00 O ATOM 2245 CB GLU A 144 -0.466 -13.342 7.309 1.00 0.00 C ATOM 2246 CG GLU A 144 0.068 -13.352 8.745 1.00 0.00 C ATOM 2247 CD GLU A 144 -0.878 -13.965 9.785 1.00 0.00 C ATOM 2248 OE1 GLU A 144 -2.114 -13.775 9.673 1.00 0.00 O ATOM 2249 OE2 GLU A 144 -0.336 -14.645 10.679 1.00 0.00 O ATOM 0 H GLU A 144 -2.923 -12.923 7.793 1.00 0.00 H new ATOM 0 HA GLU A 144 -0.813 -11.245 7.612 1.00 0.00 H new ATOM 0 HB2 GLU A 144 -1.147 -14.182 7.171 1.00 0.00 H new ATOM 0 HB3 GLU A 144 0.362 -13.487 6.615 1.00 0.00 H new ATOM 0 HG2 GLU A 144 1.009 -13.902 8.763 1.00 0.00 H new ATOM 0 HG3 GLU A 144 0.293 -12.327 9.040 1.00 0.00 H new ATOM 2256 N LEU A 145 -0.149 -10.587 5.369 1.00 0.00 N ATOM 2257 CA LEU A 145 0.298 -10.082 4.052 1.00 0.00 C ATOM 2258 C LEU A 145 1.061 -11.176 3.320 1.00 0.00 C ATOM 2259 O LEU A 145 2.146 -11.590 3.727 1.00 0.00 O ATOM 2260 CB LEU A 145 1.190 -8.844 4.226 1.00 0.00 C ATOM 2261 CG LEU A 145 0.334 -7.584 4.368 1.00 0.00 C ATOM 2262 CD1 LEU A 145 1.063 -6.533 5.191 1.00 0.00 C ATOM 2263 CD2 LEU A 145 -0.077 -7.031 2.998 1.00 0.00 C ATOM 0 H LEU A 145 0.175 -10.028 6.159 1.00 0.00 H new ATOM 0 HA LEU A 145 -0.576 -9.797 3.467 1.00 0.00 H new ATOM 0 HB2 LEU A 145 1.821 -8.964 5.107 1.00 0.00 H new ATOM 0 HB3 LEU A 145 1.855 -8.744 3.368 1.00 0.00 H new ATOM 0 HG LEU A 145 -0.580 -7.854 4.896 1.00 0.00 H new ATOM 0 HD11 LEU A 145 0.439 -5.644 5.281 1.00 0.00 H new ATOM 0 HD12 LEU A 145 1.274 -6.930 6.184 1.00 0.00 H new ATOM 0 HD13 LEU A 145 1.999 -6.270 4.699 1.00 0.00 H new ATOM 0 HD21 LEU A 145 -0.684 -6.136 3.134 1.00 0.00 H new ATOM 0 HD22 LEU A 145 0.815 -6.780 2.424 1.00 0.00 H new ATOM 0 HD23 LEU A 145 -0.655 -7.783 2.460 1.00 0.00 H new ATOM 2275 N LYS A 146 0.315 -11.846 2.457 1.00 0.00 N ATOM 2276 CA LYS A 146 0.855 -12.916 1.622 1.00 0.00 C ATOM 2277 C LYS A 146 1.309 -12.292 0.303 1.00 0.00 C ATOM 2278 O LYS A 146 0.556 -11.546 -0.340 1.00 0.00 O ATOM 2279 CB LYS A 146 -0.189 -14.007 1.402 1.00 0.00 C ATOM 2280 CG LYS A 146 0.449 -15.293 0.876 1.00 0.00 C ATOM 2281 CD LYS A 146 0.081 -15.607 -0.582 1.00 0.00 C ATOM 2282 CE LYS A 146 -1.053 -16.631 -0.656 1.00 0.00 C ATOM 2283 NZ LYS A 146 -2.254 -16.042 -1.252 1.00 0.00 N ATOM 0 H LYS A 146 -0.679 -11.667 2.313 1.00 0.00 H new ATOM 0 HA LYS A 146 1.704 -13.394 2.111 1.00 0.00 H new ATOM 0 HB2 LYS A 146 -0.705 -14.213 2.340 1.00 0.00 H new ATOM 0 HB3 LYS A 146 -0.940 -13.656 0.694 1.00 0.00 H new ATOM 0 HG2 LYS A 146 1.533 -15.212 0.960 1.00 0.00 H new ATOM 0 HG3 LYS A 146 0.142 -16.126 1.508 1.00 0.00 H new ATOM 0 HD2 LYS A 146 -0.219 -14.690 -1.090 1.00 0.00 H new ATOM 0 HD3 LYS A 146 0.956 -15.990 -1.107 1.00 0.00 H new ATOM 0 HE2 LYS A 146 -0.734 -17.490 -1.246 1.00 0.00 H new ATOM 0 HE3 LYS A 146 -1.282 -16.998 0.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 -3.038 -16.723 -1.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 -2.510 -15.178 -0.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 -2.068 -15.806 -2.248 1.00 0.00 H new ATOM 2297 N LEU A 147 2.622 -12.379 0.124 1.00 0.00 N ATOM 2298 CA LEU A 147 3.303 -11.964 -1.110 1.00 0.00 C ATOM 2299 C LEU A 147 2.640 -12.669 -2.296 1.00 0.00 C ATOM 2300 O LEU A 147 2.734 -13.881 -2.440 1.00 0.00 O ATOM 2301 CB LEU A 147 4.804 -12.291 -1.026 1.00 0.00 C ATOM 2302 CG LEU A 147 5.572 -12.040 -2.333 1.00 0.00 C ATOM 2303 CD1 LEU A 147 5.659 -10.563 -2.704 1.00 0.00 C ATOM 2304 CD2 LEU A 147 6.972 -12.649 -2.215 1.00 0.00 C ATOM 0 H LEU A 147 3.256 -12.743 0.835 1.00 0.00 H new ATOM 0 HA LEU A 147 3.214 -10.886 -1.245 1.00 0.00 H new ATOM 0 HB2 LEU A 147 5.252 -11.693 -0.233 1.00 0.00 H new ATOM 0 HB3 LEU A 147 4.922 -13.337 -0.742 1.00 0.00 H new ATOM 0 HG LEU A 147 5.017 -12.520 -3.139 1.00 0.00 H new ATOM 0 HD11 LEU A 147 6.213 -10.454 -3.636 1.00 0.00 H new ATOM 0 HD12 LEU A 147 4.654 -10.160 -2.830 1.00 0.00 H new ATOM 0 HD13 LEU A 147 6.172 -10.018 -1.911 1.00 0.00 H new ATOM 0 HD21 LEU A 147 7.524 -12.475 -3.139 1.00 0.00 H new ATOM 0 HD22 LEU A 147 7.502 -12.185 -1.383 1.00 0.00 H new ATOM 0 HD23 LEU A 147 6.889 -13.721 -2.039 1.00 0.00 H new ATOM 2316 N CYS A 148 1.787 -11.892 -2.958 1.00 0.00 N ATOM 2317 CA CYS A 148 1.075 -12.320 -4.175 1.00 0.00 C ATOM 2318 C CYS A 148 2.091 -12.938 -5.138 1.00 0.00 C ATOM 2319 O CYS A 148 3.299 -12.655 -5.098 1.00 0.00 O ATOM 2320 CB CYS A 148 0.402 -11.145 -4.891 1.00 0.00 C ATOM 2321 SG CYS A 148 -0.617 -10.086 -3.810 1.00 0.00 S ATOM 0 H CYS A 148 1.564 -10.940 -2.669 1.00 0.00 H new ATOM 0 HA CYS A 148 0.304 -13.032 -3.880 1.00 0.00 H new ATOM 0 HB2 CYS A 148 1.172 -10.531 -5.359 1.00 0.00 H new ATOM 0 HB3 CYS A 148 -0.225 -11.535 -5.693 1.00 0.00 H new ATOM 2326 N SER A 149 1.570 -13.829 -5.952 1.00 0.00 N ATOM 2327 CA SER A 149 2.411 -14.590 -6.893 1.00 0.00 C ATOM 2328 C SER A 149 1.867 -14.473 -8.302 1.00 0.00 C ATOM 2329 O SER A 149 0.672 -14.256 -8.547 1.00 0.00 O ATOM 2330 CB SER A 149 2.512 -16.053 -6.462 1.00 0.00 C ATOM 2331 OG SER A 149 1.211 -16.633 -6.417 1.00 0.00 O ATOM 0 H SER A 149 0.576 -14.055 -5.993 1.00 0.00 H new ATOM 0 HA SER A 149 3.416 -14.167 -6.882 1.00 0.00 H new ATOM 0 HB2 SER A 149 3.142 -16.605 -7.159 1.00 0.00 H new ATOM 0 HB3 SER A 149 2.985 -16.121 -5.482 1.00 0.00 H new ATOM 0 HG SER A 149 1.280 -17.571 -6.142 1.00 0.00 H new ATOM 2337 N HIS A 150 2.835 -14.429 -9.204 1.00 0.00 N ATOM 2338 CA HIS A 150 2.545 -14.303 -10.637 1.00 0.00 C ATOM 2339 C HIS A 150 2.805 -15.587 -11.451 1.00 0.00 C ATOM 2340 O HIS A 150 1.902 -16.447 -11.446 1.00 0.00 O ATOM 2341 CB HIS A 150 3.285 -13.084 -11.176 1.00 0.00 C ATOM 2342 CG HIS A 150 4.802 -13.111 -10.956 1.00 0.00 C ATOM 2343 ND1 HIS A 150 5.706 -13.509 -11.833 1.00 0.00 N ATOM 2344 CD2 HIS A 150 5.445 -12.554 -9.954 1.00 0.00 C ATOM 2345 CE1 HIS A 150 6.909 -13.193 -11.386 1.00 0.00 C ATOM 2346 NE2 HIS A 150 6.750 -12.596 -10.213 1.00 0.00 N ATOM 2347 OXT HIS A 150 3.907 -15.737 -12.027 1.00 0.00 O ATOM 0 H HIS A 150 3.828 -14.478 -8.977 1.00 0.00 H new ATOM 0 HA HIS A 150 1.472 -14.153 -10.757 1.00 0.00 H new ATOM 0 HB2 HIS A 150 3.087 -12.998 -12.244 1.00 0.00 H new ATOM 0 HB3 HIS A 150 2.878 -12.190 -10.704 1.00 0.00 H new ATOM 0 HD2 HIS A 150 4.991 -12.133 -9.069 1.00 0.00 H new ATOM 0 HE1 HIS A 150 7.848 -13.385 -11.884 1.00 0.00 H new ATOM 0 HE2 HIS A 150 7.494 -12.234 -9.616 1.00 0.00 H new TER 2356 HIS A 150