USER MOD reduce.3.24.130724 H: found=0, std=0, add=1112, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1108 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 48 ASN : amide:sc= -1.92 K(o=-9.6,f=-27!) USER MOD Set 1.2: A 95 GLN : amide:sc= -7.72! C(o=-9.6!,f=-24!) USER MOD Set 2.1: A 89 THR OG1 : rot -75:sc= 0.00592 USER MOD Set 2.2: A 97 CYS SG : rot 120:sc= 0.395 USER MOD Set 3.1: A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 84 LYS NZ :NH3+ -147:sc= -0.156 (180deg=-0.774) USER MOD Set 4.1: A 73 GLN : amide:sc= -3.29! C(o=-14!,f=-13!) USER MOD Set 4.2: A 120 ASN : amide:sc= -10.4! C(o=-14!,f=-24!) USER MOD Set 5.1: A 65 GLN : amide:sc= -0.707 K(o=-2.7,f=-6.9!) USER MOD Set 5.2: A 69 SER OG : rot 180:sc= -2.03! USER MOD Set 6.1: A 28 GLN : amide:sc= -7.48! C(o=-7.9!,f=-8!) USER MOD Set 6.2: A 32 GLN : amide:sc= -0.368 K(o=-7.9,f=-8.4) USER MOD Set 7.1: A 24 ASN : amide:sc= -0.925! C(o=-0.45!,f=-2.4!) USER MOD Set 7.2: A 26 LYS NZ :NH3+ -165:sc= 0.473 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 138:sc= -0.0913 (180deg=-1.28) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 159:sc= -0.521 (180deg=-1.16) USER MOD Single : A 6 THR OG1 : rot 35:sc= 1.05 USER MOD Single : A 8 GLN : amide:sc=-0.00153 X(o=-0.0015,f=0) USER MOD Single : A 10 GLN : amide:sc= -1.81 K(o=-1.8,f=-5.3!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot -150:sc= -0.928 USER MOD Single : A 19 ASN : amide:sc= -2.82! C(o=-2.8!,f=-3.2!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= -2.62 USER MOD Single : A 29 LYS NZ :NH3+ -141:sc= -10.6! (180deg=-13.7!) USER MOD Single : A 30 CYS SG : rot 59:sc= -18.7! USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= -2.88! C(o=-2.9!,f=-2.6!) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.0627 USER MOD Single : A 55 GLN : amide:sc= -0.0434 X(o=-0.043,f=-0.022) USER MOD Single : A 57 GLN : amide:sc= -1.82! C(o=-1.8!,f=-4.4!) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl -137:sc= -5.07! (180deg=-10.8!) USER MOD Single : A 61 THR OG1 : rot 64:sc= 0.558 USER MOD Single : A 62 SER OG : rot 140:sc= -0.529 USER MOD Single : A 63 CYS SG : rot 180:sc= -1.68! USER MOD Single : A 71 GLN : amide:sc= -8.86! C(o=-8.9!,f=-10!) USER MOD Single : A 79 SER OG : rot 120:sc= -4.68! USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 HIS : no HD1:sc= -21.5! C(o=-22!,f=-21!) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl -146:sc= -19.3! (180deg=-25.8!) USER MOD Single : A 96 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0341) USER MOD Single : A 99 GLN : amide:sc= -6.6! K(o=-6.6!,f=-0.8) USER MOD Single : A 104 ASN : amide:sc= -1.48! C(o=-1.5!,f=-7.5!) USER MOD Single : A 106 LYS NZ :NH3+ -123:sc= -1.15! (180deg=-1.87!) USER MOD Single : A 115 ASN : amide:sc= -4.45 K(o=-4.4,f=-7.2!) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 TYR OH : rot 30:sc= -4.05! USER MOD Single : A 131 GLN : amide:sc= -17.5! C(o=-18!,f=-26!) USER MOD Single : A 133 LYS NZ :NH3+ 179:sc= -0.409 (180deg=-0.411) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 19.375 -12.229 14.554 1.00 0.00 N ATOM 2 CA MET A 1 20.287 -11.145 14.880 1.00 0.00 C ATOM 3 C MET A 1 21.365 -10.994 13.805 1.00 0.00 C ATOM 4 O MET A 1 21.624 -11.925 13.045 1.00 0.00 O ATOM 5 CB MET A 1 20.948 -11.423 16.231 1.00 0.00 C ATOM 6 CG MET A 1 21.675 -12.770 16.219 1.00 0.00 C ATOM 7 SD MET A 1 21.076 -13.799 17.549 1.00 0.00 S ATOM 8 CE MET A 1 22.241 -13.361 18.829 1.00 0.00 C ATOM 0 H1 MET A 1 19.166 -12.777 15.413 1.00 0.00 H new ATOM 0 H2 MET A 1 18.492 -11.836 14.171 1.00 0.00 H new ATOM 0 H3 MET A 1 19.814 -12.850 13.845 1.00 0.00 H new ATOM 0 HA MET A 1 19.717 -10.217 14.929 1.00 0.00 H new ATOM 0 HB2 MET A 1 21.654 -10.627 16.465 1.00 0.00 H new ATOM 0 HB3 MET A 1 20.193 -11.420 17.017 1.00 0.00 H new ATOM 0 HG2 MET A 1 21.517 -13.269 15.263 1.00 0.00 H new ATOM 0 HG3 MET A 1 22.749 -12.614 16.324 1.00 0.00 H new ATOM 0 HE1 MET A 1 22.010 -13.918 19.737 1.00 0.00 H new ATOM 0 HE2 MET A 1 23.251 -13.605 18.501 1.00 0.00 H new ATOM 0 HE3 MET A 1 22.174 -12.292 19.032 1.00 0.00 H new ATOM 18 N SER A 2 21.965 -9.813 13.777 1.00 0.00 N ATOM 19 CA SER A 2 23.010 -9.527 12.808 1.00 0.00 C ATOM 20 C SER A 2 22.445 -9.615 11.388 1.00 0.00 C ATOM 21 O SER A 2 22.511 -10.668 10.755 1.00 0.00 O ATOM 22 CB SER A 2 24.189 -10.487 12.971 1.00 0.00 C ATOM 23 OG SER A 2 25.121 -10.028 13.946 1.00 0.00 O ATOM 0 H SER A 2 21.748 -9.043 14.410 1.00 0.00 H new ATOM 0 HA SER A 2 23.374 -8.515 12.985 1.00 0.00 H new ATOM 0 HB2 SER A 2 23.818 -11.471 13.259 1.00 0.00 H new ATOM 0 HB3 SER A 2 24.695 -10.605 12.013 1.00 0.00 H new ATOM 0 HG SER A 2 25.858 -10.670 14.022 1.00 0.00 H new ATOM 29 N PHE A 3 21.904 -8.496 10.930 1.00 0.00 N ATOM 30 CA PHE A 3 21.328 -8.434 9.598 1.00 0.00 C ATOM 31 C PHE A 3 21.295 -6.994 9.081 1.00 0.00 C ATOM 32 O PHE A 3 21.580 -6.057 9.826 1.00 0.00 O ATOM 33 CB PHE A 3 19.895 -8.959 9.704 1.00 0.00 C ATOM 34 CG PHE A 3 19.800 -10.472 9.908 1.00 0.00 C ATOM 35 CD1 PHE A 3 20.221 -11.317 8.929 1.00 0.00 C ATOM 36 CD2 PHE A 3 19.294 -10.972 11.067 1.00 0.00 C ATOM 37 CE1 PHE A 3 20.132 -12.722 9.118 1.00 0.00 C ATOM 38 CE2 PHE A 3 19.205 -12.377 11.255 1.00 0.00 C ATOM 39 CZ PHE A 3 19.627 -13.222 10.277 1.00 0.00 C ATOM 0 H PHE A 3 21.852 -7.625 11.458 1.00 0.00 H new ATOM 0 HA PHE A 3 21.927 -9.026 8.906 1.00 0.00 H new ATOM 0 HB2 PHE A 3 19.396 -8.459 10.534 1.00 0.00 H new ATOM 0 HB3 PHE A 3 19.353 -8.690 8.798 1.00 0.00 H new ATOM 0 HD1 PHE A 3 20.623 -10.920 8.008 1.00 0.00 H new ATOM 0 HD2 PHE A 3 18.960 -10.301 11.844 1.00 0.00 H new ATOM 0 HE1 PHE A 3 20.466 -13.393 8.341 1.00 0.00 H new ATOM 0 HE2 PHE A 3 18.802 -12.774 12.175 1.00 0.00 H new ATOM 0 HZ PHE A 3 19.561 -14.290 10.421 1.00 0.00 H new ATOM 49 N TRP A 4 20.944 -6.863 7.811 1.00 0.00 N ATOM 50 CA TRP A 4 20.870 -5.553 7.186 1.00 0.00 C ATOM 51 C TRP A 4 19.492 -4.961 7.492 1.00 0.00 C ATOM 52 O TRP A 4 19.383 -3.794 7.865 1.00 0.00 O ATOM 53 CB TRP A 4 21.163 -5.643 5.687 1.00 0.00 C ATOM 54 CG TRP A 4 22.508 -6.290 5.354 1.00 0.00 C ATOM 55 CD1 TRP A 4 22.821 -7.593 5.356 1.00 0.00 C ATOM 56 CD2 TRP A 4 23.718 -5.606 4.965 1.00 0.00 C ATOM 57 NE1 TRP A 4 24.138 -7.798 5.000 1.00 0.00 N ATOM 58 CE2 TRP A 4 24.701 -6.551 4.755 1.00 0.00 C ATOM 59 CE3 TRP A 4 23.974 -4.233 4.798 1.00 0.00 C ATOM 60 CZ2 TRP A 4 26.006 -6.227 4.365 1.00 0.00 C ATOM 61 CZ3 TRP A 4 25.283 -3.925 4.408 1.00 0.00 C ATOM 62 CH2 TRP A 4 26.284 -4.865 4.192 1.00 0.00 C ATOM 0 H TRP A 4 20.708 -7.642 7.197 1.00 0.00 H new ATOM 0 HA TRP A 4 21.633 -4.888 7.592 1.00 0.00 H new ATOM 0 HB2 TRP A 4 20.368 -6.213 5.205 1.00 0.00 H new ATOM 0 HB3 TRP A 4 21.139 -4.640 5.262 1.00 0.00 H new ATOM 0 HD1 TRP A 4 22.129 -8.384 5.605 1.00 0.00 H new ATOM 0 HE1 TRP A 4 24.611 -8.699 4.930 1.00 0.00 H new ATOM 0 HE3 TRP A 4 23.220 -3.476 4.958 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 26.758 -6.986 4.206 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 25.532 -2.884 4.265 1.00 0.00 H new ATOM 0 HH2 TRP A 4 27.272 -4.547 3.892 1.00 0.00 H new ATOM 73 N LYS A 5 18.475 -5.793 7.322 1.00 0.00 N ATOM 74 CA LYS A 5 17.110 -5.367 7.575 1.00 0.00 C ATOM 75 C LYS A 5 16.799 -5.522 9.065 1.00 0.00 C ATOM 76 O LYS A 5 15.826 -4.957 9.563 1.00 0.00 O ATOM 77 CB LYS A 5 16.136 -6.116 6.663 1.00 0.00 C ATOM 78 CG LYS A 5 16.502 -5.918 5.191 1.00 0.00 C ATOM 79 CD LYS A 5 16.529 -4.432 4.828 1.00 0.00 C ATOM 80 CE LYS A 5 15.147 -3.799 5.003 1.00 0.00 C ATOM 81 NZ LYS A 5 15.016 -3.204 6.352 1.00 0.00 N ATOM 0 H LYS A 5 18.569 -6.760 7.012 1.00 0.00 H new ATOM 0 HA LYS A 5 16.990 -4.311 7.332 1.00 0.00 H new ATOM 0 HB2 LYS A 5 16.149 -7.179 6.905 1.00 0.00 H new ATOM 0 HB3 LYS A 5 15.121 -5.762 6.840 1.00 0.00 H new ATOM 0 HG2 LYS A 5 17.477 -6.362 4.992 1.00 0.00 H new ATOM 0 HG3 LYS A 5 15.780 -6.437 4.560 1.00 0.00 H new ATOM 0 HD2 LYS A 5 17.253 -3.914 5.457 1.00 0.00 H new ATOM 0 HD3 LYS A 5 16.860 -4.312 3.796 1.00 0.00 H new ATOM 0 HE2 LYS A 5 14.993 -3.032 4.244 1.00 0.00 H new ATOM 0 HE3 LYS A 5 14.374 -4.553 4.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 14.257 -2.493 6.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 14.786 -3.950 7.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 15.913 -2.751 6.620 1.00 0.00 H new ATOM 95 N THR A 6 17.644 -6.291 9.736 1.00 0.00 N ATOM 96 CA THR A 6 17.472 -6.528 11.159 1.00 0.00 C ATOM 97 C THR A 6 15.985 -6.569 11.517 1.00 0.00 C ATOM 98 O THR A 6 15.396 -5.545 11.857 1.00 0.00 O ATOM 99 CB THR A 6 18.249 -5.448 11.915 1.00 0.00 C ATOM 100 OG1 THR A 6 17.613 -4.231 11.535 1.00 0.00 O ATOM 101 CG2 THR A 6 19.684 -5.293 11.406 1.00 0.00 C ATOM 0 H THR A 6 18.450 -6.758 9.320 1.00 0.00 H new ATOM 0 HA THR A 6 17.871 -7.500 11.449 1.00 0.00 H new ATOM 0 HB THR A 6 18.265 -5.691 12.978 1.00 0.00 H new ATOM 0 HG1 THR A 6 16.653 -4.387 11.416 1.00 0.00 H new ATOM 0 HG21 THR A 6 20.190 -4.514 11.976 1.00 0.00 H new ATOM 0 HG22 THR A 6 20.217 -6.236 11.527 1.00 0.00 H new ATOM 0 HG23 THR A 6 19.668 -5.018 10.351 1.00 0.00 H new ATOM 109 N LEU A 7 15.422 -7.765 11.429 1.00 0.00 N ATOM 110 CA LEU A 7 14.015 -7.954 11.739 1.00 0.00 C ATOM 111 C LEU A 7 13.731 -9.447 11.915 1.00 0.00 C ATOM 112 O LEU A 7 14.342 -10.281 11.248 1.00 0.00 O ATOM 113 CB LEU A 7 13.138 -7.282 10.681 1.00 0.00 C ATOM 114 CG LEU A 7 11.804 -7.969 10.380 1.00 0.00 C ATOM 115 CD1 LEU A 7 10.658 -6.955 10.356 1.00 0.00 C ATOM 116 CD2 LEU A 7 11.884 -8.775 9.082 1.00 0.00 C ATOM 0 H LEU A 7 15.915 -8.613 11.148 1.00 0.00 H new ATOM 0 HA LEU A 7 13.765 -7.469 12.682 1.00 0.00 H new ATOM 0 HB2 LEU A 7 12.934 -6.261 11.002 1.00 0.00 H new ATOM 0 HB3 LEU A 7 13.707 -7.216 9.754 1.00 0.00 H new ATOM 0 HG LEU A 7 11.593 -8.674 11.184 1.00 0.00 H new ATOM 0 HD11 LEU A 7 9.722 -7.469 10.140 1.00 0.00 H new ATOM 0 HD12 LEU A 7 10.587 -6.464 11.326 1.00 0.00 H new ATOM 0 HD13 LEU A 7 10.848 -6.209 9.585 1.00 0.00 H new ATOM 0 HD21 LEU A 7 10.923 -9.253 8.891 1.00 0.00 H new ATOM 0 HD22 LEU A 7 12.129 -8.109 8.255 1.00 0.00 H new ATOM 0 HD23 LEU A 7 12.657 -9.538 9.174 1.00 0.00 H new ATOM 128 N GLN A 8 12.805 -9.739 12.815 1.00 0.00 N ATOM 129 CA GLN A 8 12.433 -11.117 13.087 1.00 0.00 C ATOM 130 C GLN A 8 11.222 -11.517 12.241 1.00 0.00 C ATOM 131 O GLN A 8 10.334 -10.702 11.997 1.00 0.00 O ATOM 132 CB GLN A 8 12.154 -11.327 14.576 1.00 0.00 C ATOM 133 CG GLN A 8 12.364 -12.790 14.973 1.00 0.00 C ATOM 134 CD GLN A 8 11.741 -13.082 16.339 1.00 0.00 C ATOM 135 OE1 GLN A 8 12.282 -12.750 17.381 1.00 0.00 O ATOM 136 NE2 GLN A 8 10.576 -13.721 16.277 1.00 0.00 N ATOM 0 H GLN A 8 12.300 -9.045 13.366 1.00 0.00 H new ATOM 0 HA GLN A 8 13.271 -11.759 12.814 1.00 0.00 H new ATOM 0 HB2 GLN A 8 12.811 -10.688 15.166 1.00 0.00 H new ATOM 0 HB3 GLN A 8 11.131 -11.028 14.803 1.00 0.00 H new ATOM 0 HG2 GLN A 8 11.921 -13.442 14.220 1.00 0.00 H new ATOM 0 HG3 GLN A 8 13.430 -13.014 15.000 1.00 0.00 H new ATOM 0 HE21 GLN A 8 10.178 -13.970 15.371 1.00 0.00 H new ATOM 0 HE22 GLN A 8 10.080 -13.962 17.135 1.00 0.00 H new ATOM 145 N ARG A 9 11.226 -12.772 11.816 1.00 0.00 N ATOM 146 CA ARG A 9 10.139 -13.290 11.003 1.00 0.00 C ATOM 147 C ARG A 9 9.979 -12.450 9.734 1.00 0.00 C ATOM 148 O ARG A 9 9.215 -11.486 9.715 1.00 0.00 O ATOM 149 CB ARG A 9 8.820 -13.286 11.779 1.00 0.00 C ATOM 150 CG ARG A 9 8.669 -14.560 12.611 1.00 0.00 C ATOM 151 CD ARG A 9 7.758 -14.323 13.818 1.00 0.00 C ATOM 152 NE ARG A 9 6.473 -15.031 13.628 1.00 0.00 N ATOM 153 CZ ARG A 9 6.348 -16.365 13.592 1.00 0.00 C ATOM 154 NH1 ARG A 9 7.430 -17.143 13.732 1.00 0.00 N ATOM 155 NH2 ARG A 9 5.142 -16.921 13.416 1.00 0.00 N ATOM 0 H ARG A 9 11.965 -13.445 12.019 1.00 0.00 H new ATOM 0 HA ARG A 9 10.386 -14.317 10.735 1.00 0.00 H new ATOM 0 HB2 ARG A 9 8.781 -12.414 12.432 1.00 0.00 H new ATOM 0 HB3 ARG A 9 7.985 -13.201 11.083 1.00 0.00 H new ATOM 0 HG2 ARG A 9 8.257 -15.357 11.991 1.00 0.00 H new ATOM 0 HG3 ARG A 9 9.649 -14.895 12.951 1.00 0.00 H new ATOM 0 HD2 ARG A 9 8.246 -14.675 14.727 1.00 0.00 H new ATOM 0 HD3 ARG A 9 7.579 -13.255 13.945 1.00 0.00 H new ATOM 0 HE ARG A 9 5.629 -14.469 13.517 1.00 0.00 H new ATOM 0 HH11 ARG A 9 8.348 -16.720 13.866 1.00 0.00 H new ATOM 0 HH12 ARG A 9 7.335 -18.158 13.705 1.00 0.00 H new ATOM 0 HH21 ARG A 9 4.318 -16.329 13.309 1.00 0.00 H new ATOM 0 HH22 ARG A 9 5.048 -17.936 13.389 1.00 0.00 H new ATOM 169 N GLN A 10 10.711 -12.847 8.704 1.00 0.00 N ATOM 170 CA GLN A 10 10.661 -12.143 7.434 1.00 0.00 C ATOM 171 C GLN A 10 9.549 -12.717 6.553 1.00 0.00 C ATOM 172 O GLN A 10 9.380 -13.933 6.473 1.00 0.00 O ATOM 173 CB GLN A 10 12.012 -12.203 6.719 1.00 0.00 C ATOM 174 CG GLN A 10 13.165 -12.037 7.712 1.00 0.00 C ATOM 175 CD GLN A 10 14.508 -12.345 7.047 1.00 0.00 C ATOM 176 OE1 GLN A 10 14.582 -12.803 5.919 1.00 0.00 O ATOM 177 NE2 GLN A 10 15.564 -12.069 7.808 1.00 0.00 N ATOM 0 H GLN A 10 11.342 -13.648 8.723 1.00 0.00 H new ATOM 0 HA GLN A 10 10.438 -11.094 7.631 1.00 0.00 H new ATOM 0 HB2 GLN A 10 12.110 -13.155 6.198 1.00 0.00 H new ATOM 0 HB3 GLN A 10 12.063 -11.420 5.963 1.00 0.00 H new ATOM 0 HG2 GLN A 10 13.172 -11.018 8.100 1.00 0.00 H new ATOM 0 HG3 GLN A 10 13.015 -12.701 8.563 1.00 0.00 H new ATOM 0 HE21 GLN A 10 15.432 -11.687 8.744 1.00 0.00 H new ATOM 0 HE22 GLN A 10 16.506 -12.240 7.455 1.00 0.00 H new ATOM 186 N PRO A 11 8.800 -11.791 5.897 1.00 0.00 N ATOM 187 CA PRO A 11 7.709 -12.192 5.025 1.00 0.00 C ATOM 188 C PRO A 11 8.240 -12.750 3.703 1.00 0.00 C ATOM 189 O PRO A 11 9.408 -13.123 3.607 1.00 0.00 O ATOM 190 CB PRO A 11 6.867 -10.939 4.846 1.00 0.00 C ATOM 191 CG PRO A 11 7.762 -9.776 5.239 1.00 0.00 C ATOM 192 CD PRO A 11 8.970 -10.343 5.967 1.00 0.00 C ATOM 0 HA PRO A 11 7.111 -13.001 5.445 1.00 0.00 H new ATOM 0 HB2 PRO A 11 6.528 -10.840 3.815 1.00 0.00 H new ATOM 0 HB3 PRO A 11 5.976 -10.975 5.472 1.00 0.00 H new ATOM 0 HG2 PRO A 11 8.075 -9.220 4.355 1.00 0.00 H new ATOM 0 HG3 PRO A 11 7.223 -9.079 5.880 1.00 0.00 H new ATOM 0 HD2 PRO A 11 9.900 -10.030 5.493 1.00 0.00 H new ATOM 0 HD3 PRO A 11 9.007 -9.998 7.000 1.00 0.00 H new ATOM 200 N ARG A 12 7.357 -12.789 2.716 1.00 0.00 N ATOM 201 CA ARG A 12 7.722 -13.294 1.404 1.00 0.00 C ATOM 202 C ARG A 12 6.944 -12.554 0.314 1.00 0.00 C ATOM 203 O ARG A 12 7.537 -12.015 -0.619 1.00 0.00 O ATOM 204 CB ARG A 12 7.440 -14.794 1.293 1.00 0.00 C ATOM 205 CG ARG A 12 8.384 -15.456 0.287 1.00 0.00 C ATOM 206 CD ARG A 12 8.853 -16.822 0.793 1.00 0.00 C ATOM 207 NE ARG A 12 10.323 -16.934 0.657 1.00 0.00 N ATOM 208 CZ ARG A 12 10.946 -17.324 -0.463 1.00 0.00 C ATOM 209 NH1 ARG A 12 10.232 -17.642 -1.551 1.00 0.00 N ATOM 210 NH2 ARG A 12 12.284 -17.397 -0.495 1.00 0.00 N ATOM 0 H ARG A 12 6.389 -12.479 2.799 1.00 0.00 H new ATOM 0 HA ARG A 12 8.791 -13.126 1.270 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.557 -15.263 2.270 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.406 -14.952 0.985 1.00 0.00 H new ATOM 0 HG2 ARG A 12 7.877 -15.573 -0.671 1.00 0.00 H new ATOM 0 HG3 ARG A 12 9.247 -14.812 0.114 1.00 0.00 H new ATOM 0 HD2 ARG A 12 8.565 -16.951 1.836 1.00 0.00 H new ATOM 0 HD3 ARG A 12 8.365 -17.616 0.227 1.00 0.00 H new ATOM 0 HE ARG A 12 10.897 -16.700 1.467 1.00 0.00 H new ATOM 0 HH11 ARG A 12 9.214 -17.587 -1.527 1.00 0.00 H new ATOM 0 HH12 ARG A 12 10.707 -17.939 -2.404 1.00 0.00 H new ATOM 0 HH21 ARG A 12 12.828 -17.156 0.333 1.00 0.00 H new ATOM 0 HH22 ARG A 12 12.758 -17.694 -1.348 1.00 0.00 H new ATOM 224 N THR A 13 5.628 -12.551 0.469 1.00 0.00 N ATOM 225 CA THR A 13 4.763 -11.886 -0.490 1.00 0.00 C ATOM 226 C THR A 13 4.510 -10.438 -0.065 1.00 0.00 C ATOM 227 O THR A 13 3.892 -10.190 0.969 1.00 0.00 O ATOM 228 CB THR A 13 3.483 -12.713 -0.624 1.00 0.00 C ATOM 229 OG1 THR A 13 3.921 -13.943 -1.194 1.00 0.00 O ATOM 230 CG2 THR A 13 2.523 -12.140 -1.668 1.00 0.00 C ATOM 0 H THR A 13 5.140 -12.999 1.245 1.00 0.00 H new ATOM 0 HA THR A 13 5.232 -11.826 -1.472 1.00 0.00 H new ATOM 0 HB THR A 13 2.981 -12.763 0.342 1.00 0.00 H new ATOM 0 HG1 THR A 13 3.153 -14.540 -1.314 1.00 0.00 H new ATOM 0 HG21 THR A 13 1.631 -12.764 -1.724 1.00 0.00 H new ATOM 0 HG22 THR A 13 2.240 -11.126 -1.384 1.00 0.00 H new ATOM 0 HG23 THR A 13 3.013 -12.121 -2.641 1.00 0.00 H new ATOM 238 N ILE A 14 5.000 -9.520 -0.885 1.00 0.00 N ATOM 239 CA ILE A 14 4.835 -8.104 -0.608 1.00 0.00 C ATOM 240 C ILE A 14 3.709 -7.545 -1.480 1.00 0.00 C ATOM 241 O ILE A 14 3.870 -7.403 -2.692 1.00 0.00 O ATOM 242 CB ILE A 14 6.165 -7.366 -0.774 1.00 0.00 C ATOM 243 CG1 ILE A 14 7.301 -8.122 -0.083 1.00 0.00 C ATOM 244 CG2 ILE A 14 6.056 -5.921 -0.284 1.00 0.00 C ATOM 245 CD1 ILE A 14 6.966 -8.394 1.385 1.00 0.00 C ATOM 0 H ILE A 14 5.512 -9.730 -1.742 1.00 0.00 H new ATOM 0 HA ILE A 14 4.540 -7.952 0.430 1.00 0.00 H new ATOM 0 HB ILE A 14 6.404 -7.327 -1.837 1.00 0.00 H new ATOM 0 HG12 ILE A 14 7.482 -9.065 -0.599 1.00 0.00 H new ATOM 0 HG13 ILE A 14 8.221 -7.541 -0.148 1.00 0.00 H new ATOM 0 HG21 ILE A 14 7.015 -5.420 -0.413 1.00 0.00 H new ATOM 0 HG22 ILE A 14 5.293 -5.398 -0.860 1.00 0.00 H new ATOM 0 HG23 ILE A 14 5.783 -5.914 0.771 1.00 0.00 H new ATOM 0 HD11 ILE A 14 7.790 -8.933 1.853 1.00 0.00 H new ATOM 0 HD12 ILE A 14 6.810 -7.448 1.904 1.00 0.00 H new ATOM 0 HD13 ILE A 14 6.059 -8.995 1.446 1.00 0.00 H new ATOM 257 N SER A 15 2.594 -7.244 -0.831 1.00 0.00 N ATOM 258 CA SER A 15 1.442 -6.704 -1.532 1.00 0.00 C ATOM 259 C SER A 15 1.447 -5.176 -1.450 1.00 0.00 C ATOM 260 O SER A 15 1.170 -4.607 -0.395 1.00 0.00 O ATOM 261 CB SER A 15 0.137 -7.262 -0.960 1.00 0.00 C ATOM 262 OG SER A 15 0.155 -8.685 -0.879 1.00 0.00 O ATOM 0 H SER A 15 2.464 -7.364 0.174 1.00 0.00 H new ATOM 0 HA SER A 15 1.507 -7.005 -2.578 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.032 -6.844 0.033 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.698 -6.945 -1.585 1.00 0.00 H new ATOM 0 HG SER A 15 -0.695 -9.002 -0.508 1.00 0.00 H new ATOM 268 N LEU A 16 1.765 -4.556 -2.577 1.00 0.00 N ATOM 269 CA LEU A 16 1.810 -3.105 -2.645 1.00 0.00 C ATOM 270 C LEU A 16 0.634 -2.602 -3.484 1.00 0.00 C ATOM 271 O LEU A 16 0.391 -3.100 -4.582 1.00 0.00 O ATOM 272 CB LEU A 16 3.174 -2.635 -3.154 1.00 0.00 C ATOM 273 CG LEU A 16 3.499 -1.156 -2.933 1.00 0.00 C ATOM 274 CD1 LEU A 16 2.364 -0.264 -3.440 1.00 0.00 C ATOM 275 CD2 LEU A 16 3.833 -0.881 -1.466 1.00 0.00 C ATOM 0 H LEU A 16 1.994 -5.032 -3.450 1.00 0.00 H new ATOM 0 HA LEU A 16 1.701 -2.673 -1.650 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.946 -3.233 -2.669 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.233 -2.844 -4.222 1.00 0.00 H new ATOM 0 HG LEU A 16 4.387 -0.910 -3.516 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.620 0.782 -3.271 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.217 -0.434 -4.507 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.446 -0.504 -2.904 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.060 0.177 -1.337 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.980 -1.148 -0.842 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.698 -1.476 -1.172 1.00 0.00 H new ATOM 287 N PHE A 17 -0.066 -1.620 -2.934 1.00 0.00 N ATOM 288 CA PHE A 17 -1.211 -1.044 -3.618 1.00 0.00 C ATOM 289 C PHE A 17 -0.850 0.301 -4.254 1.00 0.00 C ATOM 290 O PHE A 17 0.090 0.965 -3.819 1.00 0.00 O ATOM 291 CB PHE A 17 -2.296 -0.821 -2.563 1.00 0.00 C ATOM 292 CG PHE A 17 -3.018 -2.100 -2.133 1.00 0.00 C ATOM 293 CD1 PHE A 17 -2.307 -3.234 -1.894 1.00 0.00 C ATOM 294 CD2 PHE A 17 -4.370 -2.102 -1.990 1.00 0.00 C ATOM 295 CE1 PHE A 17 -2.976 -4.421 -1.495 1.00 0.00 C ATOM 296 CE2 PHE A 17 -5.040 -3.289 -1.591 1.00 0.00 C ATOM 297 CZ PHE A 17 -4.329 -4.423 -1.352 1.00 0.00 C ATOM 0 H PHE A 17 0.138 -1.209 -2.023 1.00 0.00 H new ATOM 0 HA PHE A 17 -1.546 -1.712 -4.411 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.845 -0.358 -1.685 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.029 -0.116 -2.954 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.233 -3.232 -2.008 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -4.934 -1.201 -2.180 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.411 -5.322 -1.305 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -6.114 -3.291 -1.477 1.00 0.00 H new ATOM 0 HZ PHE A 17 -4.838 -5.326 -1.049 1.00 0.00 H new ATOM 307 N THR A 18 -1.617 0.662 -5.272 1.00 0.00 N ATOM 308 CA THR A 18 -1.390 1.915 -5.972 1.00 0.00 C ATOM 309 C THR A 18 -2.435 2.954 -5.557 1.00 0.00 C ATOM 310 O THR A 18 -3.595 2.615 -5.328 1.00 0.00 O ATOM 311 CB THR A 18 -1.385 1.624 -7.474 1.00 0.00 C ATOM 312 OG1 THR A 18 -0.629 0.422 -7.592 1.00 0.00 O ATOM 313 CG2 THR A 18 -0.577 2.652 -8.267 1.00 0.00 C ATOM 0 H THR A 18 -2.396 0.109 -5.629 1.00 0.00 H new ATOM 0 HA THR A 18 -0.425 2.347 -5.708 1.00 0.00 H new ATOM 0 HB THR A 18 -2.410 1.606 -7.843 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.174 0.406 -8.460 1.00 0.00 H new ATOM 0 HG21 THR A 18 -0.606 2.399 -9.327 1.00 0.00 H new ATOM 0 HG22 THR A 18 -1.005 3.644 -8.119 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.457 2.648 -7.921 1.00 0.00 H new ATOM 321 N ASN A 19 -1.985 4.197 -5.474 1.00 0.00 N ATOM 322 CA ASN A 19 -2.866 5.288 -5.092 1.00 0.00 C ATOM 323 C ASN A 19 -2.356 6.591 -5.710 1.00 0.00 C ATOM 324 O ASN A 19 -2.090 7.557 -4.997 1.00 0.00 O ATOM 325 CB ASN A 19 -2.896 5.465 -3.572 1.00 0.00 C ATOM 326 CG ASN A 19 -4.088 4.728 -2.958 1.00 0.00 C ATOM 327 OD1 ASN A 19 -4.431 3.621 -3.339 1.00 0.00 O ATOM 328 ND2 ASN A 19 -4.698 5.403 -1.987 1.00 0.00 N ATOM 0 H ASN A 19 -1.022 4.473 -5.665 1.00 0.00 H new ATOM 0 HA ASN A 19 -3.869 5.052 -5.448 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -1.969 5.088 -3.140 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -2.954 6.525 -3.327 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -5.505 4.997 -1.513 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -4.359 6.326 -1.717 1.00 0.00 H new ATOM 335 N ASP A 20 -2.236 6.575 -7.029 1.00 0.00 N ATOM 336 CA ASP A 20 -1.762 7.744 -7.751 1.00 0.00 C ATOM 337 C ASP A 20 -0.381 8.139 -7.225 1.00 0.00 C ATOM 338 O ASP A 20 -0.012 7.777 -6.108 1.00 0.00 O ATOM 339 CB ASP A 20 -2.702 8.934 -7.550 1.00 0.00 C ATOM 340 CG ASP A 20 -2.431 10.133 -8.461 1.00 0.00 C ATOM 341 OD1 ASP A 20 -1.268 10.590 -8.466 1.00 0.00 O ATOM 342 OD2 ASP A 20 -3.394 10.567 -9.130 1.00 0.00 O ATOM 0 H ASP A 20 -2.459 5.772 -7.617 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.721 7.491 -8.810 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.727 8.599 -7.710 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.632 9.262 -6.513 1.00 0.00 H new ATOM 347 N ILE A 21 0.345 8.875 -8.053 1.00 0.00 N ATOM 348 CA ILE A 21 1.677 9.323 -7.684 1.00 0.00 C ATOM 349 C ILE A 21 2.207 10.272 -8.761 1.00 0.00 C ATOM 350 O ILE A 21 1.943 11.473 -8.720 1.00 0.00 O ATOM 351 CB ILE A 21 2.590 8.124 -7.418 1.00 0.00 C ATOM 352 CG1 ILE A 21 1.916 6.817 -7.838 1.00 0.00 C ATOM 353 CG2 ILE A 21 3.041 8.093 -5.956 1.00 0.00 C ATOM 354 CD1 ILE A 21 2.886 5.924 -8.613 1.00 0.00 C ATOM 0 H ILE A 21 0.036 9.172 -8.978 1.00 0.00 H new ATOM 0 HA ILE A 21 1.646 9.885 -6.750 1.00 0.00 H new ATOM 0 HB ILE A 21 3.486 8.234 -8.029 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.557 6.289 -6.955 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.045 7.035 -8.455 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.689 7.232 -5.793 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.588 9.007 -5.724 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.168 8.018 -5.307 1.00 0.00 H new ATOM 0 HD11 ILE A 21 2.381 5.001 -8.900 1.00 0.00 H new ATOM 0 HD12 ILE A 21 3.225 6.446 -9.508 1.00 0.00 H new ATOM 0 HD13 ILE A 21 3.744 5.688 -7.984 1.00 0.00 H new ATOM 366 N ALA A 22 2.946 9.698 -9.699 1.00 0.00 N ATOM 367 CA ALA A 22 3.516 10.478 -10.784 1.00 0.00 C ATOM 368 C ALA A 22 3.238 9.773 -12.114 1.00 0.00 C ATOM 369 O ALA A 22 2.214 9.111 -12.267 1.00 0.00 O ATOM 370 CB ALA A 22 5.011 10.685 -10.535 1.00 0.00 C ATOM 0 H ALA A 22 3.163 8.702 -9.730 1.00 0.00 H new ATOM 0 HA ALA A 22 3.054 11.464 -10.831 1.00 0.00 H new ATOM 0 HB1 ALA A 22 5.438 11.270 -11.349 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.153 11.216 -9.594 1.00 0.00 H new ATOM 0 HB3 ALA A 22 5.509 9.717 -10.484 1.00 0.00 H new ATOM 376 N SER A 23 4.170 9.941 -13.041 1.00 0.00 N ATOM 377 CA SER A 23 4.038 9.329 -14.352 1.00 0.00 C ATOM 378 C SER A 23 3.234 8.031 -14.246 1.00 0.00 C ATOM 379 O SER A 23 2.025 8.026 -14.469 1.00 0.00 O ATOM 380 CB SER A 23 5.410 9.054 -14.972 1.00 0.00 C ATOM 381 OG SER A 23 5.709 9.961 -16.030 1.00 0.00 O ATOM 0 H SER A 23 5.019 10.492 -12.910 1.00 0.00 H new ATOM 0 HA SER A 23 3.508 10.025 -15.002 1.00 0.00 H new ATOM 0 HB2 SER A 23 6.178 9.130 -14.202 1.00 0.00 H new ATOM 0 HB3 SER A 23 5.438 8.032 -15.351 1.00 0.00 H new ATOM 0 HG SER A 23 6.593 9.754 -16.398 1.00 0.00 H new ATOM 387 N ASN A 24 3.939 6.962 -13.905 1.00 0.00 N ATOM 388 CA ASN A 24 3.306 5.662 -13.767 1.00 0.00 C ATOM 389 C ASN A 24 2.733 5.526 -12.354 1.00 0.00 C ATOM 390 O ASN A 24 3.449 5.162 -11.423 1.00 0.00 O ATOM 391 CB ASN A 24 4.316 4.532 -13.977 1.00 0.00 C ATOM 392 CG ASN A 24 3.928 3.665 -15.177 1.00 0.00 C ATOM 393 OD1 ASN A 24 2.825 3.152 -15.273 1.00 0.00 O ATOM 394 ND2 ASN A 24 4.892 3.531 -16.082 1.00 0.00 N ATOM 0 H ASN A 24 4.942 6.970 -13.720 1.00 0.00 H new ATOM 0 HA ASN A 24 2.520 5.588 -14.519 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.310 4.952 -14.134 1.00 0.00 H new ATOM 0 HB3 ASN A 24 4.368 3.915 -13.080 1.00 0.00 H new ATOM 0 HD21 ASN A 24 4.731 2.971 -16.919 1.00 0.00 H new ATOM 0 HD22 ASN A 24 5.793 3.988 -15.939 1.00 0.00 H new ATOM 401 N ILE A 25 1.448 5.826 -12.241 1.00 0.00 N ATOM 402 CA ILE A 25 0.770 5.742 -10.958 1.00 0.00 C ATOM 403 C ILE A 25 1.083 4.392 -10.308 1.00 0.00 C ATOM 404 O ILE A 25 1.163 4.292 -9.085 1.00 0.00 O ATOM 405 CB ILE A 25 -0.726 6.012 -11.123 1.00 0.00 C ATOM 406 CG1 ILE A 25 -1.019 7.514 -11.094 1.00 0.00 C ATOM 407 CG2 ILE A 25 -1.541 5.249 -10.077 1.00 0.00 C ATOM 408 CD1 ILE A 25 -0.580 8.183 -12.398 1.00 0.00 C ATOM 0 H ILE A 25 0.858 6.128 -13.016 1.00 0.00 H new ATOM 0 HA ILE A 25 1.137 6.515 -10.283 1.00 0.00 H new ATOM 0 HB ILE A 25 -1.033 5.643 -12.102 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -2.085 7.677 -10.938 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.500 7.973 -10.253 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.601 5.459 -10.218 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -1.365 4.179 -10.188 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -1.238 5.564 -9.079 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -0.799 9.250 -12.351 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.491 8.039 -12.538 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.119 7.738 -13.235 1.00 0.00 H new ATOM 420 N LYS A 26 1.252 3.388 -11.156 1.00 0.00 N ATOM 421 CA LYS A 26 1.555 2.049 -10.680 1.00 0.00 C ATOM 422 C LYS A 26 3.063 1.921 -10.455 1.00 0.00 C ATOM 423 O LYS A 26 3.503 1.546 -9.370 1.00 0.00 O ATOM 424 CB LYS A 26 0.983 0.999 -11.635 1.00 0.00 C ATOM 425 CG LYS A 26 -0.423 1.386 -12.097 1.00 0.00 C ATOM 426 CD LYS A 26 -0.445 1.680 -13.598 1.00 0.00 C ATOM 427 CE LYS A 26 -0.870 3.125 -13.868 1.00 0.00 C ATOM 428 NZ LYS A 26 -0.174 3.657 -15.060 1.00 0.00 N ATOM 0 H LYS A 26 1.185 3.475 -12.170 1.00 0.00 H new ATOM 0 HA LYS A 26 1.073 1.868 -9.719 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.638 0.894 -12.500 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.952 0.029 -11.139 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -1.119 0.578 -11.871 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.762 2.263 -11.546 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.544 1.503 -14.021 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -1.132 0.996 -14.096 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -1.949 3.171 -14.019 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -0.643 3.745 -13.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -0.270 4.692 -15.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 0.834 3.403 -15.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -0.596 3.250 -15.919 1.00 0.00 H new ATOM 442 N SER A 27 3.813 2.239 -11.500 1.00 0.00 N ATOM 443 CA SER A 27 5.263 2.164 -11.430 1.00 0.00 C ATOM 444 C SER A 27 5.785 3.122 -10.357 1.00 0.00 C ATOM 445 O SER A 27 6.358 2.688 -9.359 1.00 0.00 O ATOM 446 CB SER A 27 5.896 2.488 -12.785 1.00 0.00 C ATOM 447 OG SER A 27 7.055 1.697 -13.035 1.00 0.00 O ATOM 0 H SER A 27 3.444 2.549 -12.399 1.00 0.00 H new ATOM 0 HA SER A 27 5.541 1.144 -11.164 1.00 0.00 H new ATOM 0 HB2 SER A 27 5.165 2.320 -13.576 1.00 0.00 H new ATOM 0 HB3 SER A 27 6.164 3.544 -12.817 1.00 0.00 H new ATOM 0 HG SER A 27 7.429 1.932 -13.910 1.00 0.00 H new ATOM 453 N GLN A 28 5.569 4.406 -10.600 1.00 0.00 N ATOM 454 CA GLN A 28 6.012 5.428 -9.666 1.00 0.00 C ATOM 455 C GLN A 28 5.666 5.023 -8.232 1.00 0.00 C ATOM 456 O GLN A 28 6.353 5.415 -7.290 1.00 0.00 O ATOM 457 CB GLN A 28 5.403 6.788 -10.014 1.00 0.00 C ATOM 458 CG GLN A 28 5.596 7.784 -8.869 1.00 0.00 C ATOM 459 CD GLN A 28 7.070 8.167 -8.718 1.00 0.00 C ATOM 460 OE1 GLN A 28 7.659 8.818 -9.566 1.00 0.00 O ATOM 461 NE2 GLN A 28 7.631 7.727 -7.596 1.00 0.00 N ATOM 0 H GLN A 28 5.094 4.762 -11.429 1.00 0.00 H new ATOM 0 HA GLN A 28 7.095 5.520 -9.745 1.00 0.00 H new ATOM 0 HB2 GLN A 28 5.866 7.177 -10.921 1.00 0.00 H new ATOM 0 HB3 GLN A 28 4.340 6.671 -10.224 1.00 0.00 H new ATOM 0 HG2 GLN A 28 5.002 8.678 -9.056 1.00 0.00 H new ATOM 0 HG3 GLN A 28 5.233 7.349 -7.938 1.00 0.00 H new ATOM 0 HE21 GLN A 28 7.081 7.187 -6.928 1.00 0.00 H new ATOM 0 HE22 GLN A 28 8.612 7.929 -7.403 1.00 0.00 H new ATOM 470 N LYS A 29 4.602 4.243 -8.112 1.00 0.00 N ATOM 471 CA LYS A 29 4.157 3.780 -6.808 1.00 0.00 C ATOM 472 C LYS A 29 5.280 2.981 -6.145 1.00 0.00 C ATOM 473 O LYS A 29 6.015 3.509 -5.312 1.00 0.00 O ATOM 474 CB LYS A 29 2.842 3.007 -6.934 1.00 0.00 C ATOM 475 CG LYS A 29 2.561 2.194 -5.668 1.00 0.00 C ATOM 476 CD LYS A 29 2.326 3.113 -4.468 1.00 0.00 C ATOM 477 CE LYS A 29 1.070 3.964 -4.666 1.00 0.00 C ATOM 478 NZ LYS A 29 0.012 3.555 -3.715 1.00 0.00 N ATOM 0 H LYS A 29 4.035 3.920 -8.896 1.00 0.00 H new ATOM 0 HA LYS A 29 3.941 4.626 -6.156 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.022 3.703 -7.113 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.889 2.341 -7.796 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.686 1.562 -5.824 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.401 1.530 -5.464 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.225 2.515 -3.562 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.191 3.762 -4.328 1.00 0.00 H new ATOM 0 HE2 LYS A 29 1.310 5.017 -4.521 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.709 3.858 -5.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -0.912 3.582 -4.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.201 2.589 -3.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 0.003 4.207 -2.905 1.00 0.00 H new ATOM 492 N CYS A 30 5.377 1.720 -6.539 1.00 0.00 N ATOM 493 CA CYS A 30 6.399 0.842 -5.994 1.00 0.00 C ATOM 494 C CYS A 30 7.638 0.934 -6.885 1.00 0.00 C ATOM 495 O CYS A 30 8.726 1.258 -6.410 1.00 0.00 O ATOM 496 CB CYS A 30 5.896 -0.598 -5.863 1.00 0.00 C ATOM 497 SG CYS A 30 4.069 -0.633 -5.950 1.00 0.00 S ATOM 0 H CYS A 30 4.765 1.285 -7.229 1.00 0.00 H new ATOM 0 HA CYS A 30 6.655 1.162 -4.984 1.00 0.00 H new ATOM 0 HB2 CYS A 30 6.318 -1.213 -6.658 1.00 0.00 H new ATOM 0 HB3 CYS A 30 6.232 -1.025 -4.918 1.00 0.00 H new ATOM 0 HG CYS A 30 3.679 -0.125 -7.081 1.00 0.00 H new ATOM 503 N LEU A 31 7.433 0.645 -8.162 1.00 0.00 N ATOM 504 CA LEU A 31 8.521 0.692 -9.124 1.00 0.00 C ATOM 505 C LEU A 31 9.504 1.794 -8.723 1.00 0.00 C ATOM 506 O LEU A 31 10.711 1.563 -8.666 1.00 0.00 O ATOM 507 CB LEU A 31 7.973 0.843 -10.545 1.00 0.00 C ATOM 508 CG LEU A 31 7.687 -0.459 -11.295 1.00 0.00 C ATOM 509 CD1 LEU A 31 8.763 -1.507 -11.006 1.00 0.00 C ATOM 510 CD2 LEU A 31 6.283 -0.977 -10.979 1.00 0.00 C ATOM 0 H LEU A 31 6.530 0.377 -8.553 1.00 0.00 H new ATOM 0 HA LEU A 31 9.075 -0.247 -9.119 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.051 1.422 -10.498 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.686 1.426 -11.128 1.00 0.00 H new ATOM 0 HG LEU A 31 7.720 -0.251 -12.364 1.00 0.00 H new ATOM 0 HD11 LEU A 31 8.535 -2.423 -11.552 1.00 0.00 H new ATOM 0 HD12 LEU A 31 9.735 -1.128 -11.323 1.00 0.00 H new ATOM 0 HD13 LEU A 31 8.787 -1.718 -9.937 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.106 -1.903 -11.525 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.197 -1.164 -9.909 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.545 -0.233 -11.278 1.00 0.00 H new ATOM 522 N GLN A 32 8.950 2.967 -8.455 1.00 0.00 N ATOM 523 CA GLN A 32 9.763 4.105 -8.061 1.00 0.00 C ATOM 524 C GLN A 32 10.262 3.930 -6.626 1.00 0.00 C ATOM 525 O GLN A 32 11.381 4.325 -6.301 1.00 0.00 O ATOM 526 CB GLN A 32 8.985 5.414 -8.215 1.00 0.00 C ATOM 527 CG GLN A 32 9.188 6.012 -9.608 1.00 0.00 C ATOM 528 CD GLN A 32 10.631 6.484 -9.798 1.00 0.00 C ATOM 529 OE1 GLN A 32 11.400 5.923 -10.562 1.00 0.00 O ATOM 530 NE2 GLN A 32 10.955 7.543 -9.062 1.00 0.00 N ATOM 0 H GLN A 32 7.948 3.154 -8.503 1.00 0.00 H new ATOM 0 HA GLN A 32 10.628 4.154 -8.722 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.924 5.233 -8.044 1.00 0.00 H new ATOM 0 HB3 GLN A 32 9.312 6.127 -7.458 1.00 0.00 H new ATOM 0 HG2 GLN A 32 8.942 5.268 -10.366 1.00 0.00 H new ATOM 0 HG3 GLN A 32 8.506 6.850 -9.751 1.00 0.00 H new ATOM 0 HE21 GLN A 32 10.263 7.965 -8.443 1.00 0.00 H new ATOM 0 HE22 GLN A 32 11.896 7.934 -9.117 1.00 0.00 H new ATOM 539 N LEU A 33 9.409 3.336 -5.805 1.00 0.00 N ATOM 540 CA LEU A 33 9.749 3.103 -4.412 1.00 0.00 C ATOM 541 C LEU A 33 10.977 2.193 -4.337 1.00 0.00 C ATOM 542 O LEU A 33 11.941 2.502 -3.637 1.00 0.00 O ATOM 543 CB LEU A 33 8.538 2.566 -3.647 1.00 0.00 C ATOM 544 CG LEU A 33 8.656 2.563 -2.121 1.00 0.00 C ATOM 545 CD1 LEU A 33 8.093 1.269 -1.530 1.00 0.00 C ATOM 546 CD2 LEU A 33 10.100 2.813 -1.682 1.00 0.00 C ATOM 0 H LEU A 33 8.482 3.009 -6.078 1.00 0.00 H new ATOM 0 HA LEU A 33 10.015 4.040 -3.923 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.666 3.160 -3.923 1.00 0.00 H new ATOM 0 HB3 LEU A 33 8.347 1.545 -3.979 1.00 0.00 H new ATOM 0 HG LEU A 33 8.054 3.384 -1.730 1.00 0.00 H new ATOM 0 HD11 LEU A 33 8.189 1.293 -0.445 1.00 0.00 H new ATOM 0 HD12 LEU A 33 7.041 1.174 -1.799 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.647 0.417 -1.925 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.156 2.806 -0.593 1.00 0.00 H new ATOM 0 HD22 LEU A 33 10.743 2.030 -2.083 1.00 0.00 H new ATOM 0 HD23 LEU A 33 10.431 3.782 -2.056 1.00 0.00 H new ATOM 558 N LEU A 34 10.902 1.091 -5.067 1.00 0.00 N ATOM 559 CA LEU A 34 11.996 0.134 -5.092 1.00 0.00 C ATOM 560 C LEU A 34 13.167 0.725 -5.880 1.00 0.00 C ATOM 561 O LEU A 34 14.286 0.220 -5.807 1.00 0.00 O ATOM 562 CB LEU A 34 11.514 -1.217 -5.626 1.00 0.00 C ATOM 563 CG LEU A 34 10.071 -1.596 -5.286 1.00 0.00 C ATOM 564 CD1 LEU A 34 9.588 -0.853 -4.039 1.00 0.00 C ATOM 565 CD2 LEU A 34 9.148 -1.367 -6.484 1.00 0.00 C ATOM 0 H LEU A 34 10.101 0.839 -5.646 1.00 0.00 H new ATOM 0 HA LEU A 34 12.357 -0.059 -4.082 1.00 0.00 H new ATOM 0 HB2 LEU A 34 11.623 -1.216 -6.711 1.00 0.00 H new ATOM 0 HB3 LEU A 34 12.174 -1.994 -5.240 1.00 0.00 H new ATOM 0 HG LEU A 34 10.042 -2.661 -5.056 1.00 0.00 H new ATOM 0 HD11 LEU A 34 8.560 -1.141 -3.820 1.00 0.00 H new ATOM 0 HD12 LEU A 34 10.225 -1.110 -3.193 1.00 0.00 H new ATOM 0 HD13 LEU A 34 9.634 0.222 -4.215 1.00 0.00 H new ATOM 0 HD21 LEU A 34 8.128 -1.644 -6.216 1.00 0.00 H new ATOM 0 HD22 LEU A 34 9.175 -0.315 -6.769 1.00 0.00 H new ATOM 0 HD23 LEU A 34 9.482 -1.978 -7.322 1.00 0.00 H new ATOM 577 N LYS A 35 12.868 1.785 -6.615 1.00 0.00 N ATOM 578 CA LYS A 35 13.882 2.450 -7.416 1.00 0.00 C ATOM 579 C LYS A 35 14.963 3.017 -6.494 1.00 0.00 C ATOM 580 O LYS A 35 15.858 3.730 -6.946 1.00 0.00 O ATOM 581 CB LYS A 35 13.242 3.498 -8.330 1.00 0.00 C ATOM 582 CG LYS A 35 14.125 3.778 -9.547 1.00 0.00 C ATOM 583 CD LYS A 35 15.112 4.911 -9.258 1.00 0.00 C ATOM 584 CE LYS A 35 15.242 5.844 -10.463 1.00 0.00 C ATOM 585 NZ LYS A 35 16.101 7.003 -10.131 1.00 0.00 N ATOM 0 H LYS A 35 11.938 2.200 -6.673 1.00 0.00 H new ATOM 0 HA LYS A 35 14.370 1.737 -8.080 1.00 0.00 H new ATOM 0 HB2 LYS A 35 12.263 3.149 -8.659 1.00 0.00 H new ATOM 0 HB3 LYS A 35 13.081 4.421 -7.773 1.00 0.00 H new ATOM 0 HG2 LYS A 35 14.672 2.875 -9.820 1.00 0.00 H new ATOM 0 HG3 LYS A 35 13.501 4.043 -10.401 1.00 0.00 H new ATOM 0 HD2 LYS A 35 14.777 5.478 -8.389 1.00 0.00 H new ATOM 0 HD3 LYS A 35 16.088 4.494 -9.009 1.00 0.00 H new ATOM 0 HE2 LYS A 35 15.665 5.300 -11.307 1.00 0.00 H new ATOM 0 HE3 LYS A 35 14.255 6.191 -10.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 16.179 7.626 -10.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 15.681 7.531 -9.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 17.047 6.667 -9.860 1.00 0.00 H new ATOM 599 N GLY A 36 14.846 2.678 -5.219 1.00 0.00 N ATOM 600 CA GLY A 36 15.802 3.144 -4.230 1.00 0.00 C ATOM 601 C GLY A 36 17.035 2.238 -4.189 1.00 0.00 C ATOM 602 O GLY A 36 17.855 2.259 -5.105 1.00 0.00 O ATOM 0 H GLY A 36 14.103 2.086 -4.848 1.00 0.00 H new ATOM 0 HA2 GLY A 36 16.104 4.165 -4.464 1.00 0.00 H new ATOM 0 HA3 GLY A 36 15.331 3.168 -3.247 1.00 0.00 H new ATOM 606 N ASP A 37 17.126 1.464 -3.118 1.00 0.00 N ATOM 607 CA ASP A 37 18.244 0.553 -2.946 1.00 0.00 C ATOM 608 C ASP A 37 18.268 -0.443 -4.107 1.00 0.00 C ATOM 609 O ASP A 37 17.944 -0.089 -5.240 1.00 0.00 O ATOM 610 CB ASP A 37 18.113 -0.242 -1.645 1.00 0.00 C ATOM 611 CG ASP A 37 19.438 -0.637 -0.992 1.00 0.00 C ATOM 612 OD1 ASP A 37 20.478 -0.132 -1.467 1.00 0.00 O ATOM 613 OD2 ASP A 37 19.382 -1.436 -0.031 1.00 0.00 O ATOM 0 H ASP A 37 16.443 1.449 -2.360 1.00 0.00 H new ATOM 0 HA ASP A 37 19.159 1.145 -2.916 1.00 0.00 H new ATOM 0 HB2 ASP A 37 17.536 0.348 -0.933 1.00 0.00 H new ATOM 0 HB3 ASP A 37 17.540 -1.147 -1.846 1.00 0.00 H new ATOM 618 N VAL A 38 18.656 -1.669 -3.786 1.00 0.00 N ATOM 619 CA VAL A 38 18.726 -2.718 -4.789 1.00 0.00 C ATOM 620 C VAL A 38 17.406 -3.491 -4.805 1.00 0.00 C ATOM 621 O VAL A 38 16.562 -3.304 -3.930 1.00 0.00 O ATOM 622 CB VAL A 38 19.940 -3.612 -4.526 1.00 0.00 C ATOM 623 CG1 VAL A 38 20.655 -3.964 -5.832 1.00 0.00 C ATOM 624 CG2 VAL A 38 20.901 -2.954 -3.535 1.00 0.00 C ATOM 0 H VAL A 38 18.925 -1.959 -2.846 1.00 0.00 H new ATOM 0 HA VAL A 38 18.863 -2.290 -5.782 1.00 0.00 H new ATOM 0 HB VAL A 38 19.582 -4.540 -4.080 1.00 0.00 H new ATOM 0 HG11 VAL A 38 21.514 -4.600 -5.617 1.00 0.00 H new ATOM 0 HG12 VAL A 38 19.968 -4.494 -6.492 1.00 0.00 H new ATOM 0 HG13 VAL A 38 20.994 -3.050 -6.319 1.00 0.00 H new ATOM 0 HG21 VAL A 38 21.755 -3.610 -3.366 1.00 0.00 H new ATOM 0 HG22 VAL A 38 21.248 -2.004 -3.941 1.00 0.00 H new ATOM 0 HG23 VAL A 38 20.386 -2.778 -2.591 1.00 0.00 H new ATOM 634 N SER A 39 17.269 -4.344 -5.810 1.00 0.00 N ATOM 635 CA SER A 39 16.066 -5.146 -5.952 1.00 0.00 C ATOM 636 C SER A 39 16.429 -6.632 -5.985 1.00 0.00 C ATOM 637 O SER A 39 17.245 -7.058 -6.801 1.00 0.00 O ATOM 638 CB SER A 39 15.293 -4.761 -7.214 1.00 0.00 C ATOM 639 OG SER A 39 15.055 -3.358 -7.287 1.00 0.00 O ATOM 0 H SER A 39 17.971 -4.497 -6.534 1.00 0.00 H new ATOM 0 HA SER A 39 15.424 -4.954 -5.093 1.00 0.00 H new ATOM 0 HB2 SER A 39 15.853 -5.080 -8.093 1.00 0.00 H new ATOM 0 HB3 SER A 39 14.341 -5.292 -7.232 1.00 0.00 H new ATOM 0 HG SER A 39 14.561 -3.152 -8.108 1.00 0.00 H new ATOM 645 N HIS A 40 15.805 -7.381 -5.088 1.00 0.00 N ATOM 646 CA HIS A 40 16.053 -8.811 -5.004 1.00 0.00 C ATOM 647 C HIS A 40 15.817 -9.289 -3.570 1.00 0.00 C ATOM 648 O HIS A 40 15.310 -8.539 -2.737 1.00 0.00 O ATOM 649 CB HIS A 40 17.452 -9.151 -5.520 1.00 0.00 C ATOM 650 CG HIS A 40 17.489 -9.552 -6.975 1.00 0.00 C ATOM 651 ND1 HIS A 40 18.633 -9.463 -7.749 1.00 0.00 N ATOM 652 CD2 HIS A 40 16.512 -10.046 -7.789 1.00 0.00 C ATOM 653 CE1 HIS A 40 18.346 -9.886 -8.971 1.00 0.00 C ATOM 654 NE2 HIS A 40 17.030 -10.246 -8.994 1.00 0.00 N ATOM 0 H HIS A 40 15.128 -7.025 -4.413 1.00 0.00 H new ATOM 0 HA HIS A 40 15.353 -9.344 -5.647 1.00 0.00 H new ATOM 0 HB2 HIS A 40 18.101 -8.288 -5.375 1.00 0.00 H new ATOM 0 HB3 HIS A 40 17.862 -9.963 -4.919 1.00 0.00 H new ATOM 0 HD2 HIS A 40 15.490 -10.241 -7.501 1.00 0.00 H new ATOM 0 HE1 HIS A 40 19.033 -9.937 -9.803 1.00 0.00 H new ATOM 0 HE2 HIS A 40 16.527 -10.609 -9.804 1.00 0.00 H new ATOM 662 N ARG A 41 16.197 -10.535 -3.325 1.00 0.00 N ATOM 663 CA ARG A 41 16.033 -11.122 -2.006 1.00 0.00 C ATOM 664 C ARG A 41 14.575 -11.526 -1.782 1.00 0.00 C ATOM 665 O ARG A 41 14.299 -12.612 -1.275 1.00 0.00 O ATOM 666 CB ARG A 41 16.458 -10.142 -0.911 1.00 0.00 C ATOM 667 CG ARG A 41 15.331 -9.930 0.102 1.00 0.00 C ATOM 668 CD ARG A 41 15.159 -11.160 0.996 1.00 0.00 C ATOM 669 NE ARG A 41 13.753 -11.621 0.956 1.00 0.00 N ATOM 670 CZ ARG A 41 13.093 -12.111 2.014 1.00 0.00 C ATOM 671 NH1 ARG A 41 13.707 -12.206 3.201 1.00 0.00 N ATOM 672 NH2 ARG A 41 11.818 -12.505 1.886 1.00 0.00 N ATOM 0 H ARG A 41 16.618 -11.154 -4.018 1.00 0.00 H new ATOM 0 HA ARG A 41 16.670 -12.005 -1.955 1.00 0.00 H new ATOM 0 HB2 ARG A 41 17.343 -10.522 -0.401 1.00 0.00 H new ATOM 0 HB3 ARG A 41 16.733 -9.187 -1.359 1.00 0.00 H new ATOM 0 HG2 ARG A 41 15.549 -9.057 0.717 1.00 0.00 H new ATOM 0 HG3 ARG A 41 14.398 -9.725 -0.424 1.00 0.00 H new ATOM 0 HD2 ARG A 41 15.822 -11.958 0.662 1.00 0.00 H new ATOM 0 HD3 ARG A 41 15.442 -10.918 2.020 1.00 0.00 H new ATOM 0 HE ARG A 41 13.256 -11.562 0.067 1.00 0.00 H new ATOM 0 HH11 ARG A 41 14.677 -11.905 3.299 1.00 0.00 H new ATOM 0 HH12 ARG A 41 13.205 -12.579 4.007 1.00 0.00 H new ATOM 0 HH21 ARG A 41 11.350 -12.432 0.983 1.00 0.00 H new ATOM 0 HH22 ARG A 41 11.316 -12.878 2.692 1.00 0.00 H new ATOM 686 N PHE A 42 13.680 -10.630 -2.172 1.00 0.00 N ATOM 687 CA PHE A 42 12.256 -10.879 -2.020 1.00 0.00 C ATOM 688 C PHE A 42 11.497 -10.523 -3.299 1.00 0.00 C ATOM 689 O PHE A 42 12.053 -9.899 -4.202 1.00 0.00 O ATOM 690 CB PHE A 42 11.764 -9.982 -0.882 1.00 0.00 C ATOM 691 CG PHE A 42 11.349 -8.580 -1.331 1.00 0.00 C ATOM 692 CD1 PHE A 42 12.296 -7.632 -1.563 1.00 0.00 C ATOM 693 CD2 PHE A 42 10.033 -8.281 -1.498 1.00 0.00 C ATOM 694 CE1 PHE A 42 11.911 -6.330 -1.980 1.00 0.00 C ATOM 695 CE2 PHE A 42 9.648 -6.979 -1.915 1.00 0.00 C ATOM 696 CZ PHE A 42 10.595 -6.031 -2.147 1.00 0.00 C ATOM 0 H PHE A 42 13.913 -9.731 -2.593 1.00 0.00 H new ATOM 0 HA PHE A 42 12.084 -11.935 -1.810 1.00 0.00 H new ATOM 0 HB2 PHE A 42 10.915 -10.463 -0.395 1.00 0.00 H new ATOM 0 HB3 PHE A 42 12.553 -9.895 -0.135 1.00 0.00 H new ATOM 0 HD1 PHE A 42 13.341 -7.869 -1.430 1.00 0.00 H new ATOM 0 HD2 PHE A 42 9.281 -9.034 -1.314 1.00 0.00 H new ATOM 0 HE1 PHE A 42 12.663 -5.577 -2.164 1.00 0.00 H new ATOM 0 HE2 PHE A 42 8.603 -6.742 -2.048 1.00 0.00 H new ATOM 0 HZ PHE A 42 10.302 -5.041 -2.464 1.00 0.00 H new ATOM 706 N ASP A 43 10.239 -10.935 -3.337 1.00 0.00 N ATOM 707 CA ASP A 43 9.398 -10.667 -4.491 1.00 0.00 C ATOM 708 C ASP A 43 8.484 -9.478 -4.186 1.00 0.00 C ATOM 709 O ASP A 43 7.711 -9.514 -3.231 1.00 0.00 O ATOM 710 CB ASP A 43 8.513 -11.871 -4.819 1.00 0.00 C ATOM 711 CG ASP A 43 9.268 -13.168 -5.112 1.00 0.00 C ATOM 712 OD1 ASP A 43 10.228 -13.099 -5.910 1.00 0.00 O ATOM 713 OD2 ASP A 43 8.870 -14.201 -4.531 1.00 0.00 O ATOM 0 H ASP A 43 9.781 -11.453 -2.587 1.00 0.00 H new ATOM 0 HA ASP A 43 10.048 -10.455 -5.340 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.836 -12.044 -3.982 1.00 0.00 H new ATOM 0 HB3 ASP A 43 7.896 -11.624 -5.683 1.00 0.00 H new ATOM 718 N VAL A 44 8.604 -8.452 -5.017 1.00 0.00 N ATOM 719 CA VAL A 44 7.799 -7.255 -4.848 1.00 0.00 C ATOM 720 C VAL A 44 6.533 -7.372 -5.700 1.00 0.00 C ATOM 721 O VAL A 44 6.585 -7.845 -6.834 1.00 0.00 O ATOM 722 CB VAL A 44 8.630 -6.014 -5.181 1.00 0.00 C ATOM 723 CG1 VAL A 44 8.098 -4.783 -4.444 1.00 0.00 C ATOM 724 CG2 VAL A 44 10.110 -6.245 -4.865 1.00 0.00 C ATOM 0 H VAL A 44 9.247 -8.426 -5.809 1.00 0.00 H new ATOM 0 HA VAL A 44 7.484 -7.151 -3.810 1.00 0.00 H new ATOM 0 HB VAL A 44 8.540 -5.828 -6.251 1.00 0.00 H new ATOM 0 HG11 VAL A 44 8.707 -3.915 -4.699 1.00 0.00 H new ATOM 0 HG12 VAL A 44 7.065 -4.601 -4.739 1.00 0.00 H new ATOM 0 HG13 VAL A 44 8.143 -4.955 -3.369 1.00 0.00 H new ATOM 0 HG21 VAL A 44 10.679 -5.348 -5.111 1.00 0.00 H new ATOM 0 HG22 VAL A 44 10.225 -6.469 -3.804 1.00 0.00 H new ATOM 0 HG23 VAL A 44 10.481 -7.083 -5.455 1.00 0.00 H new ATOM 734 N GLU A 45 5.426 -6.933 -5.120 1.00 0.00 N ATOM 735 CA GLU A 45 4.149 -6.983 -5.811 1.00 0.00 C ATOM 736 C GLU A 45 3.585 -5.572 -5.988 1.00 0.00 C ATOM 737 O GLU A 45 3.320 -4.878 -5.008 1.00 0.00 O ATOM 738 CB GLU A 45 3.157 -7.880 -5.068 1.00 0.00 C ATOM 739 CG GLU A 45 2.496 -8.876 -6.023 1.00 0.00 C ATOM 740 CD GLU A 45 3.310 -10.167 -6.119 1.00 0.00 C ATOM 741 OE1 GLU A 45 3.095 -11.040 -5.250 1.00 0.00 O ATOM 742 OE2 GLU A 45 4.129 -10.253 -7.059 1.00 0.00 O ATOM 0 H GLU A 45 5.387 -6.541 -4.179 1.00 0.00 H new ATOM 0 HA GLU A 45 4.310 -7.416 -6.798 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.673 -8.420 -4.274 1.00 0.00 H new ATOM 0 HB3 GLU A 45 2.393 -7.266 -4.591 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.488 -9.103 -5.677 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.400 -8.428 -7.012 1.00 0.00 H new ATOM 749 N ILE A 46 3.419 -5.188 -7.245 1.00 0.00 N ATOM 750 CA ILE A 46 2.892 -3.872 -7.563 1.00 0.00 C ATOM 751 C ILE A 46 1.498 -4.020 -8.176 1.00 0.00 C ATOM 752 O ILE A 46 1.358 -4.491 -9.304 1.00 0.00 O ATOM 753 CB ILE A 46 3.874 -3.101 -8.448 1.00 0.00 C ATOM 754 CG1 ILE A 46 5.296 -3.182 -7.889 1.00 0.00 C ATOM 755 CG2 ILE A 46 3.416 -1.655 -8.644 1.00 0.00 C ATOM 756 CD1 ILE A 46 5.884 -4.580 -8.086 1.00 0.00 C ATOM 0 H ILE A 46 3.640 -5.766 -8.056 1.00 0.00 H new ATOM 0 HA ILE A 46 2.781 -3.277 -6.656 1.00 0.00 H new ATOM 0 HB ILE A 46 3.888 -3.570 -9.432 1.00 0.00 H new ATOM 0 HG12 ILE A 46 5.928 -2.445 -8.384 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.288 -2.933 -6.828 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.131 -1.129 -9.277 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.435 -1.645 -9.120 1.00 0.00 H new ATOM 0 HG23 ILE A 46 3.354 -1.158 -7.676 1.00 0.00 H new ATOM 0 HD11 ILE A 46 6.895 -4.610 -7.680 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.263 -5.312 -7.569 1.00 0.00 H new ATOM 0 HD13 ILE A 46 5.913 -4.816 -9.150 1.00 0.00 H new ATOM 768 N ALA A 47 0.502 -3.610 -7.405 1.00 0.00 N ATOM 769 CA ALA A 47 -0.877 -3.691 -7.858 1.00 0.00 C ATOM 770 C ALA A 47 -1.611 -2.403 -7.476 1.00 0.00 C ATOM 771 O ALA A 47 -1.385 -1.851 -6.400 1.00 0.00 O ATOM 772 CB ALA A 47 -1.537 -4.936 -7.263 1.00 0.00 C ATOM 0 H ALA A 47 0.622 -3.221 -6.470 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.920 -3.786 -8.943 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.571 -4.997 -7.602 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.996 -5.825 -7.587 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.515 -4.875 -6.175 1.00 0.00 H new ATOM 778 N ASN A 48 -2.475 -1.963 -8.379 1.00 0.00 N ATOM 779 CA ASN A 48 -3.243 -0.751 -8.150 1.00 0.00 C ATOM 780 C ASN A 48 -4.716 -1.116 -7.950 1.00 0.00 C ATOM 781 O ASN A 48 -5.357 -1.644 -8.857 1.00 0.00 O ATOM 782 CB ASN A 48 -3.150 0.195 -9.349 1.00 0.00 C ATOM 783 CG ASN A 48 -3.651 -0.486 -10.625 1.00 0.00 C ATOM 784 OD1 ASN A 48 -4.829 -0.476 -10.943 1.00 0.00 O ATOM 785 ND2 ASN A 48 -2.693 -1.076 -11.335 1.00 0.00 N ATOM 0 H ASN A 48 -2.660 -2.424 -9.270 1.00 0.00 H new ATOM 0 HA ASN A 48 -2.837 -0.256 -7.268 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -3.739 1.092 -9.156 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -2.117 0.515 -9.485 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -2.925 -1.558 -12.203 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -1.726 -1.046 -11.011 1.00 0.00 H new ATOM 792 N ARG A 49 -5.208 -0.821 -6.756 1.00 0.00 N ATOM 793 CA ARG A 49 -6.593 -1.112 -6.424 1.00 0.00 C ATOM 794 C ARG A 49 -6.981 -0.423 -5.115 1.00 0.00 C ATOM 795 O ARG A 49 -6.118 0.052 -4.380 1.00 0.00 O ATOM 796 CB ARG A 49 -6.822 -2.619 -6.287 1.00 0.00 C ATOM 797 CG ARG A 49 -5.996 -3.196 -5.136 1.00 0.00 C ATOM 798 CD ARG A 49 -5.681 -4.674 -5.375 1.00 0.00 C ATOM 799 NE ARG A 49 -6.370 -5.508 -4.366 1.00 0.00 N ATOM 800 CZ ARG A 49 -7.661 -5.862 -4.438 1.00 0.00 C ATOM 801 NH1 ARG A 49 -8.410 -5.456 -5.473 1.00 0.00 N ATOM 802 NH2 ARG A 49 -8.203 -6.621 -3.476 1.00 0.00 N ATOM 0 H ARG A 49 -4.673 -0.383 -6.006 1.00 0.00 H new ATOM 0 HA ARG A 49 -7.215 -0.734 -7.236 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -7.880 -2.816 -6.114 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -6.553 -3.118 -7.218 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -5.067 -2.635 -5.033 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -6.542 -3.084 -4.199 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -5.998 -4.964 -6.377 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -4.605 -4.838 -5.321 1.00 0.00 H new ATOM 0 HE ARG A 49 -5.829 -5.834 -3.565 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -7.998 -4.878 -6.205 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -9.392 -5.725 -5.528 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -7.633 -6.930 -2.688 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -9.185 -6.890 -3.531 1.00 0.00 H new ATOM 816 N PHE A 50 -8.282 -0.391 -4.864 1.00 0.00 N ATOM 817 CA PHE A 50 -8.795 0.232 -3.656 1.00 0.00 C ATOM 818 C PHE A 50 -8.534 -0.647 -2.431 1.00 0.00 C ATOM 819 O PHE A 50 -8.841 -1.838 -2.441 1.00 0.00 O ATOM 820 CB PHE A 50 -10.306 0.391 -3.841 1.00 0.00 C ATOM 821 CG PHE A 50 -10.966 1.309 -2.811 1.00 0.00 C ATOM 822 CD1 PHE A 50 -10.365 2.476 -2.455 1.00 0.00 C ATOM 823 CD2 PHE A 50 -12.155 0.958 -2.251 1.00 0.00 C ATOM 824 CE1 PHE A 50 -10.979 3.327 -1.498 1.00 0.00 C ATOM 825 CE2 PHE A 50 -12.768 1.809 -1.294 1.00 0.00 C ATOM 826 CZ PHE A 50 -12.167 2.976 -0.938 1.00 0.00 C ATOM 0 H PHE A 50 -8.995 -0.786 -5.476 1.00 0.00 H new ATOM 0 HA PHE A 50 -8.301 1.190 -3.494 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -10.500 0.783 -4.839 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -10.774 -0.592 -3.788 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -9.421 2.755 -2.900 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -12.633 0.032 -2.534 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -10.502 4.254 -1.215 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -13.711 1.530 -0.849 1.00 0.00 H new ATOM 0 HZ PHE A 50 -12.633 3.624 -0.211 1.00 0.00 H new ATOM 836 N PRO A 51 -7.954 -0.010 -1.379 1.00 0.00 N ATOM 837 CA PRO A 51 -7.648 -0.721 -0.150 1.00 0.00 C ATOM 838 C PRO A 51 -8.917 -0.982 0.664 1.00 0.00 C ATOM 839 O PRO A 51 -9.046 -0.505 1.790 1.00 0.00 O ATOM 840 CB PRO A 51 -6.648 0.163 0.578 1.00 0.00 C ATOM 841 CG PRO A 51 -6.784 1.544 -0.043 1.00 0.00 C ATOM 842 CD PRO A 51 -7.576 1.400 -1.332 1.00 0.00 C ATOM 0 HA PRO A 51 -7.228 -1.710 -0.331 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -6.859 0.193 1.647 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -5.633 -0.219 0.464 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -7.291 2.223 0.643 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -5.801 1.970 -0.244 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -8.454 2.046 -1.331 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -6.976 1.678 -2.199 1.00 0.00 H new ATOM 850 N THR A 52 -9.822 -1.740 0.061 1.00 0.00 N ATOM 851 CA THR A 52 -11.077 -2.070 0.715 1.00 0.00 C ATOM 852 C THR A 52 -10.815 -2.801 2.034 1.00 0.00 C ATOM 853 O THR A 52 -9.864 -3.574 2.141 1.00 0.00 O ATOM 854 CB THR A 52 -11.925 -2.878 -0.269 1.00 0.00 C ATOM 855 OG1 THR A 52 -11.005 -3.806 -0.838 1.00 0.00 O ATOM 856 CG2 THR A 52 -12.396 -2.042 -1.460 1.00 0.00 C ATOM 0 H THR A 52 -9.711 -2.135 -0.873 1.00 0.00 H new ATOM 0 HA THR A 52 -11.632 -1.171 0.982 1.00 0.00 H new ATOM 0 HB THR A 52 -12.791 -3.289 0.250 1.00 0.00 H new ATOM 0 HG1 THR A 52 -11.471 -4.372 -1.488 1.00 0.00 H new ATOM 0 HG21 THR A 52 -12.993 -2.663 -2.127 1.00 0.00 H new ATOM 0 HG22 THR A 52 -13.000 -1.208 -1.103 1.00 0.00 H new ATOM 0 HG23 THR A 52 -11.531 -1.658 -2.000 1.00 0.00 H new ATOM 864 N TRP A 53 -11.674 -2.529 3.005 1.00 0.00 N ATOM 865 CA TRP A 53 -11.548 -3.151 4.312 1.00 0.00 C ATOM 866 C TRP A 53 -11.775 -4.655 4.144 1.00 0.00 C ATOM 867 O TRP A 53 -11.321 -5.450 4.965 1.00 0.00 O ATOM 868 CB TRP A 53 -12.505 -2.511 5.319 1.00 0.00 C ATOM 869 CG TRP A 53 -13.311 -3.519 6.140 1.00 0.00 C ATOM 870 CD1 TRP A 53 -14.319 -4.300 5.729 1.00 0.00 C ATOM 871 CD2 TRP A 53 -13.134 -3.825 7.539 1.00 0.00 C ATOM 872 NE1 TRP A 53 -14.803 -5.084 6.756 1.00 0.00 N ATOM 873 CE2 TRP A 53 -14.059 -4.786 7.892 1.00 0.00 C ATOM 874 CE3 TRP A 53 -12.222 -3.307 8.476 1.00 0.00 C ATOM 875 CZ2 TRP A 53 -14.163 -5.312 9.185 1.00 0.00 C ATOM 876 CZ3 TRP A 53 -12.339 -3.843 9.764 1.00 0.00 C ATOM 877 CH2 TRP A 53 -13.265 -4.811 10.135 1.00 0.00 C ATOM 0 H TRP A 53 -12.460 -1.886 2.913 1.00 0.00 H new ATOM 0 HA TRP A 53 -10.549 -2.993 4.719 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -11.932 -1.880 5.999 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -13.196 -1.859 4.784 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -14.704 -4.314 4.720 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -15.566 -5.758 6.693 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -11.489 -2.555 8.222 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -14.896 -6.064 9.436 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -11.662 -3.479 10.523 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -13.292 -5.175 11.151 1.00 0.00 H new ATOM 888 N ASP A 54 -12.479 -4.999 3.075 1.00 0.00 N ATOM 889 CA ASP A 54 -12.772 -6.393 2.789 1.00 0.00 C ATOM 890 C ASP A 54 -11.481 -7.210 2.879 1.00 0.00 C ATOM 891 O ASP A 54 -11.392 -8.152 3.666 1.00 0.00 O ATOM 892 CB ASP A 54 -13.339 -6.559 1.378 1.00 0.00 C ATOM 893 CG ASP A 54 -14.826 -6.912 1.316 1.00 0.00 C ATOM 894 OD1 ASP A 54 -15.628 -6.080 1.794 1.00 0.00 O ATOM 895 OD2 ASP A 54 -15.128 -8.007 0.793 1.00 0.00 O ATOM 0 H ASP A 54 -12.855 -4.336 2.397 1.00 0.00 H new ATOM 0 HA ASP A 54 -13.507 -6.739 3.516 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -13.178 -5.633 0.827 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -12.774 -7.338 0.865 1.00 0.00 H new ATOM 900 N GLN A 55 -10.514 -6.820 2.062 1.00 0.00 N ATOM 901 CA GLN A 55 -9.232 -7.505 2.040 1.00 0.00 C ATOM 902 C GLN A 55 -8.326 -6.971 3.151 1.00 0.00 C ATOM 903 O GLN A 55 -7.522 -7.714 3.711 1.00 0.00 O ATOM 904 CB GLN A 55 -8.561 -7.367 0.671 1.00 0.00 C ATOM 905 CG GLN A 55 -8.347 -8.737 0.026 1.00 0.00 C ATOM 906 CD GLN A 55 -9.683 -9.387 -0.340 1.00 0.00 C ATOM 907 OE1 GLN A 55 -10.390 -8.952 -1.234 1.00 0.00 O ATOM 908 NE2 GLN A 55 -9.989 -10.448 0.400 1.00 0.00 N ATOM 0 H GLN A 55 -10.592 -6.039 1.411 1.00 0.00 H new ATOM 0 HA GLN A 55 -9.405 -8.566 2.218 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -9.178 -6.747 0.020 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -7.603 -6.859 0.781 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -7.734 -8.630 -0.869 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -7.800 -9.384 0.712 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -9.352 -10.759 1.133 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -10.861 -10.951 0.235 1.00 0.00 H new ATOM 917 N LEU A 56 -8.486 -5.688 3.437 1.00 0.00 N ATOM 918 CA LEU A 56 -7.693 -5.046 4.471 1.00 0.00 C ATOM 919 C LEU A 56 -8.086 -5.615 5.836 1.00 0.00 C ATOM 920 O LEU A 56 -7.317 -5.530 6.792 1.00 0.00 O ATOM 921 CB LEU A 56 -7.821 -3.524 4.379 1.00 0.00 C ATOM 922 CG LEU A 56 -7.644 -2.755 5.689 1.00 0.00 C ATOM 923 CD1 LEU A 56 -7.087 -1.354 5.432 1.00 0.00 C ATOM 924 CD2 LEU A 56 -8.952 -2.716 6.483 1.00 0.00 C ATOM 0 H LEU A 56 -9.154 -5.075 2.970 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.634 -5.262 4.328 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.083 -3.160 3.665 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.803 -3.286 3.971 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.913 -3.284 6.300 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.971 -0.829 6.380 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.118 -1.432 4.940 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.775 -0.801 4.793 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.799 -2.163 7.410 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -9.723 -2.224 5.890 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -9.267 -3.733 6.715 1.00 0.00 H new ATOM 936 N GLN A 57 -9.283 -6.181 5.883 1.00 0.00 N ATOM 937 CA GLN A 57 -9.788 -6.763 7.115 1.00 0.00 C ATOM 938 C GLN A 57 -8.658 -7.462 7.873 1.00 0.00 C ATOM 939 O GLN A 57 -8.651 -7.482 9.103 1.00 0.00 O ATOM 940 CB GLN A 57 -10.939 -7.731 6.832 1.00 0.00 C ATOM 941 CG GLN A 57 -10.413 -9.136 6.535 1.00 0.00 C ATOM 942 CD GLN A 57 -10.252 -9.946 7.823 1.00 0.00 C ATOM 943 OE1 GLN A 57 -10.427 -9.450 8.924 1.00 0.00 O ATOM 944 NE2 GLN A 57 -9.909 -11.215 7.625 1.00 0.00 N ATOM 0 H GLN A 57 -9.918 -6.249 5.088 1.00 0.00 H new ATOM 0 HA GLN A 57 -10.177 -5.960 7.741 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -11.610 -7.764 7.690 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -11.522 -7.370 5.985 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -11.099 -9.650 5.862 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -9.454 -9.068 6.022 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -9.778 -11.566 6.676 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -9.776 -11.838 8.422 1.00 0.00 H new ATOM 953 N TYR A 58 -7.730 -8.019 7.109 1.00 0.00 N ATOM 954 CA TYR A 58 -6.598 -8.717 7.693 1.00 0.00 C ATOM 955 C TYR A 58 -5.580 -7.728 8.264 1.00 0.00 C ATOM 956 O TYR A 58 -5.088 -7.910 9.377 1.00 0.00 O ATOM 957 CB TYR A 58 -5.947 -9.497 6.550 1.00 0.00 C ATOM 958 CG TYR A 58 -6.712 -10.758 6.143 1.00 0.00 C ATOM 959 CD1 TYR A 58 -6.679 -11.876 6.952 1.00 0.00 C ATOM 960 CD2 TYR A 58 -7.434 -10.778 4.968 1.00 0.00 C ATOM 961 CE1 TYR A 58 -7.398 -13.063 6.569 1.00 0.00 C ATOM 962 CE2 TYR A 58 -8.154 -11.966 4.585 1.00 0.00 C ATOM 963 CZ TYR A 58 -8.100 -13.050 5.405 1.00 0.00 C ATOM 964 OH TYR A 58 -8.780 -14.171 5.043 1.00 0.00 O ATOM 0 H TYR A 58 -7.739 -8.001 6.089 1.00 0.00 H new ATOM 0 HA TYR A 58 -6.925 -9.364 8.507 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -5.857 -8.843 5.683 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -4.936 -9.777 6.845 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -6.114 -11.860 7.872 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -7.460 -9.903 4.335 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -7.380 -13.944 7.193 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -8.724 -11.995 3.668 1.00 0.00 H new ATOM 0 HH TYR A 58 -9.236 -14.016 4.190 1.00 0.00 H new ATOM 974 N MET A 59 -5.293 -6.701 7.477 1.00 0.00 N ATOM 975 CA MET A 59 -4.343 -5.683 7.890 1.00 0.00 C ATOM 976 C MET A 59 -4.948 -4.769 8.957 1.00 0.00 C ATOM 977 O MET A 59 -4.236 -4.265 9.824 1.00 0.00 O ATOM 978 CB MET A 59 -3.929 -4.848 6.676 1.00 0.00 C ATOM 979 CG MET A 59 -3.724 -5.734 5.446 1.00 0.00 C ATOM 980 SD MET A 59 -2.712 -7.142 5.868 1.00 0.00 S ATOM 981 CE MET A 59 -1.673 -7.223 4.419 1.00 0.00 C ATOM 0 H MET A 59 -5.703 -6.553 6.555 1.00 0.00 H new ATOM 0 HA MET A 59 -3.470 -6.178 8.316 1.00 0.00 H new ATOM 0 HB2 MET A 59 -4.694 -4.100 6.467 1.00 0.00 H new ATOM 0 HB3 MET A 59 -3.008 -4.309 6.898 1.00 0.00 H new ATOM 0 HG2 MET A 59 -4.688 -6.070 5.065 1.00 0.00 H new ATOM 0 HG3 MET A 59 -3.249 -5.160 4.650 1.00 0.00 H new ATOM 0 HE1 MET A 59 -1.569 -8.261 4.103 1.00 0.00 H new ATOM 0 HE2 MET A 59 -2.125 -6.642 3.615 1.00 0.00 H new ATOM 0 HE3 MET A 59 -0.690 -6.815 4.653 1.00 0.00 H new ATOM 991 N ARG A 60 -6.256 -4.582 8.858 1.00 0.00 N ATOM 992 CA ARG A 60 -6.964 -3.736 9.804 1.00 0.00 C ATOM 993 C ARG A 60 -6.653 -4.168 11.238 1.00 0.00 C ATOM 994 O ARG A 60 -6.649 -3.344 12.151 1.00 0.00 O ATOM 995 CB ARG A 60 -8.476 -3.802 9.575 1.00 0.00 C ATOM 996 CG ARG A 60 -9.174 -4.520 10.732 1.00 0.00 C ATOM 997 CD ARG A 60 -9.275 -3.612 11.960 1.00 0.00 C ATOM 998 NE ARG A 60 -8.742 -4.311 13.151 1.00 0.00 N ATOM 999 CZ ARG A 60 -8.257 -3.688 14.233 1.00 0.00 C ATOM 1000 NH1 ARG A 60 -8.234 -2.349 14.281 1.00 0.00 N ATOM 1001 NH2 ARG A 60 -7.795 -4.403 15.268 1.00 0.00 N ATOM 0 H ARG A 60 -6.844 -5.002 8.138 1.00 0.00 H new ATOM 0 HA ARG A 60 -6.628 -2.711 9.649 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -8.877 -2.793 9.473 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -8.684 -4.323 8.640 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -10.172 -4.831 10.423 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -8.623 -5.425 10.989 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -8.717 -2.691 11.789 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -10.314 -3.329 12.129 1.00 0.00 H new ATOM 0 HE ARG A 60 -8.744 -5.331 13.147 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -8.586 -1.804 13.494 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -7.865 -1.874 15.105 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -7.813 -5.422 15.232 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -7.426 -3.928 16.092 1.00 0.00 H new ATOM 1015 N THR A 61 -6.399 -5.459 11.392 1.00 0.00 N ATOM 1016 CA THR A 61 -6.087 -6.010 12.700 1.00 0.00 C ATOM 1017 C THR A 61 -4.603 -5.819 13.018 1.00 0.00 C ATOM 1018 O THR A 61 -4.250 -5.390 14.116 1.00 0.00 O ATOM 1019 CB THR A 61 -6.528 -7.475 12.713 1.00 0.00 C ATOM 1020 OG1 THR A 61 -6.402 -7.888 11.355 1.00 0.00 O ATOM 1021 CG2 THR A 61 -8.019 -7.635 13.015 1.00 0.00 C ATOM 0 H THR A 61 -6.403 -6.140 10.632 1.00 0.00 H new ATOM 0 HA THR A 61 -6.626 -5.486 13.489 1.00 0.00 H new ATOM 0 HB THR A 61 -5.947 -8.022 13.455 1.00 0.00 H new ATOM 0 HG1 THR A 61 -5.460 -7.851 11.088 1.00 0.00 H new ATOM 0 HG21 THR A 61 -8.279 -8.693 13.012 1.00 0.00 H new ATOM 0 HG22 THR A 61 -8.240 -7.210 13.994 1.00 0.00 H new ATOM 0 HG23 THR A 61 -8.602 -7.116 12.254 1.00 0.00 H new ATOM 1029 N SER A 62 -3.773 -6.148 12.039 1.00 0.00 N ATOM 1030 CA SER A 62 -2.335 -6.018 12.201 1.00 0.00 C ATOM 1031 C SER A 62 -1.900 -4.585 11.888 1.00 0.00 C ATOM 1032 O SER A 62 -0.963 -4.371 11.120 1.00 0.00 O ATOM 1033 CB SER A 62 -1.588 -7.008 11.305 1.00 0.00 C ATOM 1034 OG SER A 62 -2.045 -8.345 11.489 1.00 0.00 O ATOM 0 H SER A 62 -4.069 -6.505 11.130 1.00 0.00 H new ATOM 0 HA SER A 62 -2.086 -6.248 13.237 1.00 0.00 H new ATOM 0 HB2 SER A 62 -1.717 -6.721 10.261 1.00 0.00 H new ATOM 0 HB3 SER A 62 -0.521 -6.957 11.520 1.00 0.00 H new ATOM 0 HG SER A 62 -2.093 -8.797 10.621 1.00 0.00 H new ATOM 1040 N CYS A 63 -2.601 -3.641 12.498 1.00 0.00 N ATOM 1041 CA CYS A 63 -2.299 -2.235 12.294 1.00 0.00 C ATOM 1042 C CYS A 63 -3.179 -1.412 13.236 1.00 0.00 C ATOM 1043 O CYS A 63 -4.329 -1.770 13.488 1.00 0.00 O ATOM 1044 CB CYS A 63 -2.486 -1.822 10.832 1.00 0.00 C ATOM 1045 SG CYS A 63 -1.044 -0.849 10.266 1.00 0.00 S ATOM 0 H CYS A 63 -3.378 -3.822 13.134 1.00 0.00 H new ATOM 0 HA CYS A 63 -1.250 -2.050 12.524 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -2.605 -2.708 10.208 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -3.397 -1.233 10.726 1.00 0.00 H new ATOM 0 HG CYS A 63 -1.213 -0.506 9.023 1.00 0.00 H new ATOM 1051 N PRO A 64 -2.591 -0.296 13.745 1.00 0.00 N ATOM 1052 CA PRO A 64 -3.310 0.580 14.654 1.00 0.00 C ATOM 1053 C PRO A 64 -4.341 1.424 13.902 1.00 0.00 C ATOM 1054 O PRO A 64 -5.426 1.690 14.417 1.00 0.00 O ATOM 1055 CB PRO A 64 -2.234 1.417 15.327 1.00 0.00 C ATOM 1056 CG PRO A 64 -1.005 1.307 14.439 1.00 0.00 C ATOM 1057 CD PRO A 64 -1.232 0.159 13.469 1.00 0.00 C ATOM 0 HA PRO A 64 -3.891 0.031 15.395 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -2.552 2.455 15.427 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -2.024 1.049 16.332 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -0.841 2.238 13.897 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -0.114 1.128 15.041 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -1.127 0.488 12.435 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -0.507 -0.640 13.625 1.00 0.00 H new ATOM 1065 N GLN A 65 -3.966 1.822 12.695 1.00 0.00 N ATOM 1066 CA GLN A 65 -4.844 2.631 11.867 1.00 0.00 C ATOM 1067 C GLN A 65 -5.651 1.739 10.921 1.00 0.00 C ATOM 1068 O GLN A 65 -6.658 2.172 10.364 1.00 0.00 O ATOM 1069 CB GLN A 65 -4.049 3.680 11.087 1.00 0.00 C ATOM 1070 CG GLN A 65 -4.349 5.089 11.602 1.00 0.00 C ATOM 1071 CD GLN A 65 -3.951 6.146 10.570 1.00 0.00 C ATOM 1072 OE1 GLN A 65 -4.779 6.738 9.897 1.00 0.00 O ATOM 1073 NE2 GLN A 65 -2.640 6.350 10.483 1.00 0.00 N ATOM 0 H GLN A 65 -3.066 1.599 12.271 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.540 3.161 12.518 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -2.982 3.475 11.178 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.297 3.616 10.027 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.411 5.179 11.829 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -3.809 5.263 12.533 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.001 5.820 11.076 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -2.273 7.036 9.823 1.00 0.00 H new ATOM 1082 N GLY A 66 -5.178 0.511 10.770 1.00 0.00 N ATOM 1083 CA GLY A 66 -5.843 -0.445 9.901 1.00 0.00 C ATOM 1084 C GLY A 66 -6.362 0.235 8.633 1.00 0.00 C ATOM 1085 O GLY A 66 -5.582 0.580 7.746 1.00 0.00 O ATOM 0 H GLY A 66 -4.342 0.156 11.235 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -5.149 -1.242 9.633 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -6.672 -0.910 10.434 1.00 0.00 H new ATOM 1089 N PRO A 67 -7.709 0.412 8.585 1.00 0.00 N ATOM 1090 CA PRO A 67 -8.341 1.044 7.440 1.00 0.00 C ATOM 1091 C PRO A 67 -8.108 2.556 7.451 1.00 0.00 C ATOM 1092 O PRO A 67 -7.896 3.163 6.402 1.00 0.00 O ATOM 1093 CB PRO A 67 -9.810 0.669 7.544 1.00 0.00 C ATOM 1094 CG PRO A 67 -10.028 0.234 8.984 1.00 0.00 C ATOM 1095 CD PRO A 67 -8.663 0.016 9.617 1.00 0.00 C ATOM 0 HA PRO A 67 -7.924 0.707 6.491 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -10.448 1.516 7.291 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -10.058 -0.135 6.851 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -10.586 0.993 9.532 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -10.617 -0.683 9.021 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -8.544 0.617 10.518 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -8.523 -1.025 9.908 1.00 0.00 H new ATOM 1103 N VAL A 68 -8.156 3.122 8.648 1.00 0.00 N ATOM 1104 CA VAL A 68 -7.953 4.551 8.810 1.00 0.00 C ATOM 1105 C VAL A 68 -6.705 4.975 8.035 1.00 0.00 C ATOM 1106 O VAL A 68 -6.670 6.057 7.450 1.00 0.00 O ATOM 1107 CB VAL A 68 -7.883 4.905 10.297 1.00 0.00 C ATOM 1108 CG1 VAL A 68 -8.031 6.413 10.509 1.00 0.00 C ATOM 1109 CG2 VAL A 68 -8.935 4.133 11.095 1.00 0.00 C ATOM 0 H VAL A 68 -8.333 2.616 9.516 1.00 0.00 H new ATOM 0 HA VAL A 68 -8.796 5.106 8.398 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.901 4.610 10.666 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.978 6.638 11.574 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.228 6.934 9.988 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.993 6.743 10.116 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.863 4.403 12.149 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.929 4.382 10.723 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -8.764 3.062 10.983 1.00 0.00 H new ATOM 1119 N SER A 69 -5.709 4.101 8.054 1.00 0.00 N ATOM 1120 CA SER A 69 -4.462 4.371 7.360 1.00 0.00 C ATOM 1121 C SER A 69 -4.712 4.470 5.854 1.00 0.00 C ATOM 1122 O SER A 69 -4.087 5.279 5.169 1.00 0.00 O ATOM 1123 CB SER A 69 -3.421 3.289 7.656 1.00 0.00 C ATOM 1124 OG SER A 69 -2.574 3.646 8.744 1.00 0.00 O ATOM 0 H SER A 69 -5.741 3.205 8.540 1.00 0.00 H new ATOM 0 HA SER A 69 -4.070 5.322 7.720 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.928 2.351 7.884 1.00 0.00 H new ATOM 0 HB3 SER A 69 -2.815 3.116 6.767 1.00 0.00 H new ATOM 0 HG SER A 69 -1.925 2.929 8.902 1.00 0.00 H new ATOM 1130 N LEU A 70 -5.626 3.636 5.382 1.00 0.00 N ATOM 1131 CA LEU A 70 -5.966 3.620 3.970 1.00 0.00 C ATOM 1132 C LEU A 70 -6.807 4.854 3.637 1.00 0.00 C ATOM 1133 O LEU A 70 -6.408 5.679 2.817 1.00 0.00 O ATOM 1134 CB LEU A 70 -6.641 2.298 3.596 1.00 0.00 C ATOM 1135 CG LEU A 70 -5.780 1.041 3.744 1.00 0.00 C ATOM 1136 CD1 LEU A 70 -4.553 1.107 2.833 1.00 0.00 C ATOM 1137 CD2 LEU A 70 -5.398 0.808 5.207 1.00 0.00 C ATOM 0 H LEU A 70 -6.142 2.966 5.953 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.063 3.675 3.361 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.531 2.180 4.214 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -6.978 2.364 2.561 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.370 0.182 3.425 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -3.958 0.202 2.957 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.875 1.190 1.795 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.950 1.976 3.097 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.787 -0.091 5.285 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.833 1.664 5.576 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.302 0.685 5.804 1.00 0.00 H new ATOM 1149 N GLN A 71 -7.956 4.942 4.292 1.00 0.00 N ATOM 1150 CA GLN A 71 -8.856 6.062 4.076 1.00 0.00 C ATOM 1151 C GLN A 71 -8.122 7.385 4.304 1.00 0.00 C ATOM 1152 O GLN A 71 -8.417 8.383 3.649 1.00 0.00 O ATOM 1153 CB GLN A 71 -10.088 5.956 4.977 1.00 0.00 C ATOM 1154 CG GLN A 71 -9.713 5.414 6.358 1.00 0.00 C ATOM 1155 CD GLN A 71 -10.349 4.044 6.600 1.00 0.00 C ATOM 1156 OE1 GLN A 71 -10.328 3.163 5.756 1.00 0.00 O ATOM 1157 NE2 GLN A 71 -10.913 3.913 7.798 1.00 0.00 N ATOM 0 H GLN A 71 -8.284 4.256 4.972 1.00 0.00 H new ATOM 0 HA GLN A 71 -9.199 6.033 3.042 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -10.552 6.937 5.081 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.826 5.301 4.514 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -8.629 5.335 6.440 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -10.041 6.112 7.128 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -10.895 4.691 8.458 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -11.363 3.035 8.056 1.00 0.00 H new ATOM 1166 N ARG A 72 -7.180 7.349 5.236 1.00 0.00 N ATOM 1167 CA ARG A 72 -6.402 8.533 5.558 1.00 0.00 C ATOM 1168 C ARG A 72 -5.311 8.753 4.508 1.00 0.00 C ATOM 1169 O ARG A 72 -4.798 9.862 4.363 1.00 0.00 O ATOM 1170 CB ARG A 72 -5.754 8.407 6.938 1.00 0.00 C ATOM 1171 CG ARG A 72 -6.808 8.461 8.046 1.00 0.00 C ATOM 1172 CD ARG A 72 -6.885 9.860 8.661 1.00 0.00 C ATOM 1173 NE ARG A 72 -6.840 9.766 10.138 1.00 0.00 N ATOM 1174 CZ ARG A 72 -6.594 10.804 10.949 1.00 0.00 C ATOM 1175 NH1 ARG A 72 -6.368 12.020 10.432 1.00 0.00 N ATOM 1176 NH2 ARG A 72 -6.573 10.626 12.277 1.00 0.00 N ATOM 0 H ARG A 72 -6.939 6.519 5.778 1.00 0.00 H new ATOM 0 HA ARG A 72 -7.082 9.385 5.565 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -5.203 7.469 7.001 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -5.031 9.211 7.079 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -7.781 8.184 7.641 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -6.565 7.732 8.820 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -6.057 10.470 8.302 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -7.805 10.354 8.347 1.00 0.00 H new ATOM 0 HE ARG A 72 -7.007 8.855 10.565 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -6.383 12.155 9.421 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -6.181 12.810 11.050 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -6.744 9.701 12.670 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -6.386 11.416 12.895 1.00 0.00 H new ATOM 1190 N GLN A 73 -4.988 7.679 3.803 1.00 0.00 N ATOM 1191 CA GLN A 73 -3.967 7.741 2.770 1.00 0.00 C ATOM 1192 C GLN A 73 -4.451 8.593 1.595 1.00 0.00 C ATOM 1193 O GLN A 73 -3.690 9.384 1.042 1.00 0.00 O ATOM 1194 CB GLN A 73 -3.572 6.338 2.305 1.00 0.00 C ATOM 1195 CG GLN A 73 -2.351 6.389 1.385 1.00 0.00 C ATOM 1196 CD GLN A 73 -1.072 6.046 2.151 1.00 0.00 C ATOM 1197 OE1 GLN A 73 -0.456 6.884 2.789 1.00 0.00 O ATOM 1198 NE2 GLN A 73 -0.708 4.771 2.053 1.00 0.00 N ATOM 0 H GLN A 73 -5.415 6.761 3.926 1.00 0.00 H new ATOM 0 HA GLN A 73 -3.079 8.211 3.192 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -3.354 5.712 3.170 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -4.408 5.876 1.780 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -2.484 5.689 0.560 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -2.262 7.384 0.948 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -1.269 4.121 1.502 1.00 0.00 H new ATOM 0 HE22 GLN A 73 0.132 4.443 2.529 1.00 0.00 H new ATOM 1207 N ILE A 74 -5.716 8.401 1.248 1.00 0.00 N ATOM 1208 CA ILE A 74 -6.311 9.141 0.149 1.00 0.00 C ATOM 1209 C ILE A 74 -6.820 10.489 0.664 1.00 0.00 C ATOM 1210 O ILE A 74 -7.035 10.658 1.864 1.00 0.00 O ATOM 1211 CB ILE A 74 -7.386 8.301 -0.543 1.00 0.00 C ATOM 1212 CG1 ILE A 74 -7.136 8.223 -2.050 1.00 0.00 C ATOM 1213 CG2 ILE A 74 -8.786 8.829 -0.221 1.00 0.00 C ATOM 1214 CD1 ILE A 74 -8.430 8.452 -2.834 1.00 0.00 C ATOM 0 H ILE A 74 -6.345 7.743 1.709 1.00 0.00 H new ATOM 0 HA ILE A 74 -5.564 9.353 -0.616 1.00 0.00 H new ATOM 0 HB ILE A 74 -7.327 7.284 -0.154 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -6.395 8.969 -2.338 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -6.721 7.247 -2.303 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -9.532 8.214 -0.725 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -8.951 8.789 0.856 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -8.874 9.860 -0.564 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -8.224 8.391 -3.903 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -9.160 7.690 -2.562 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -8.829 9.438 -2.597 1.00 0.00 H new ATOM 1226 N PRO A 75 -7.004 11.438 -0.293 1.00 0.00 N ATOM 1227 CA PRO A 75 -7.484 12.765 0.052 1.00 0.00 C ATOM 1228 C PRO A 75 -8.981 12.743 0.366 1.00 0.00 C ATOM 1229 O PRO A 75 -9.722 11.931 -0.187 1.00 0.00 O ATOM 1230 CB PRO A 75 -7.141 13.632 -1.149 1.00 0.00 C ATOM 1231 CG PRO A 75 -6.906 12.670 -2.303 1.00 0.00 C ATOM 1232 CD PRO A 75 -6.760 11.273 -1.723 1.00 0.00 C ATOM 0 HA PRO A 75 -7.019 13.158 0.956 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -7.952 14.324 -1.376 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -6.253 14.234 -0.955 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -7.738 12.706 -3.006 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -6.009 12.949 -2.856 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -7.475 10.582 -2.170 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -5.766 10.868 -1.911 1.00 0.00 H new ATOM 1240 N LYS A 76 -9.381 13.643 1.251 1.00 0.00 N ATOM 1241 CA LYS A 76 -10.777 13.737 1.645 1.00 0.00 C ATOM 1242 C LYS A 76 -11.152 12.506 2.473 1.00 0.00 C ATOM 1243 O LYS A 76 -12.228 11.938 2.294 1.00 0.00 O ATOM 1244 CB LYS A 76 -11.667 13.947 0.418 1.00 0.00 C ATOM 1245 CG LYS A 76 -12.564 15.174 0.596 1.00 0.00 C ATOM 1246 CD LYS A 76 -13.445 15.392 -0.636 1.00 0.00 C ATOM 1247 CE LYS A 76 -14.260 16.680 -0.506 1.00 0.00 C ATOM 1248 NZ LYS A 76 -15.178 16.831 -1.657 1.00 0.00 N ATOM 0 H LYS A 76 -8.763 14.314 1.707 1.00 0.00 H new ATOM 0 HA LYS A 76 -10.936 14.609 2.279 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -11.046 14.071 -0.469 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -12.283 13.062 0.255 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -13.191 15.046 1.478 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -11.949 16.057 0.768 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -12.822 15.440 -1.529 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -14.117 14.543 -0.762 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -14.831 16.664 0.422 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -13.590 17.538 -0.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -15.724 17.710 -1.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -14.627 16.868 -2.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -15.830 16.021 -1.690 1.00 0.00 H new ATOM 1262 N LEU A 77 -10.244 12.131 3.362 1.00 0.00 N ATOM 1263 CA LEU A 77 -10.466 10.979 4.219 1.00 0.00 C ATOM 1264 C LEU A 77 -11.883 11.042 4.794 1.00 0.00 C ATOM 1265 O LEU A 77 -12.694 10.149 4.555 1.00 0.00 O ATOM 1266 CB LEU A 77 -9.373 10.884 5.285 1.00 0.00 C ATOM 1267 CG LEU A 77 -8.406 12.068 5.360 1.00 0.00 C ATOM 1268 CD1 LEU A 77 -7.863 12.242 6.780 1.00 0.00 C ATOM 1269 CD2 LEU A 77 -7.283 11.925 4.331 1.00 0.00 C ATOM 0 H LEU A 77 -9.353 12.605 3.507 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.396 10.057 3.642 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -9.851 10.768 6.258 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -8.794 9.978 5.104 1.00 0.00 H new ATOM 0 HG LEU A 77 -8.957 12.975 5.111 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -7.178 13.090 6.806 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.690 12.422 7.466 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -7.333 11.338 7.080 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -6.610 12.779 4.406 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.727 11.007 4.524 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -7.710 11.886 3.329 1.00 0.00 H new ATOM 1281 N ASP A 78 -12.136 12.106 5.541 1.00 0.00 N ATOM 1282 CA ASP A 78 -13.441 12.297 6.153 1.00 0.00 C ATOM 1283 C ASP A 78 -14.529 11.880 5.163 1.00 0.00 C ATOM 1284 O ASP A 78 -15.613 11.460 5.567 1.00 0.00 O ATOM 1285 CB ASP A 78 -13.669 13.766 6.515 1.00 0.00 C ATOM 1286 CG ASP A 78 -15.031 14.074 7.140 1.00 0.00 C ATOM 1287 OD1 ASP A 78 -15.305 13.498 8.215 1.00 0.00 O ATOM 1288 OD2 ASP A 78 -15.767 14.878 6.529 1.00 0.00 O ATOM 0 H ASP A 78 -11.461 12.845 5.737 1.00 0.00 H new ATOM 0 HA ASP A 78 -13.481 11.692 7.059 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -12.889 14.079 7.209 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -13.555 14.369 5.614 1.00 0.00 H new ATOM 1293 N SER A 79 -14.204 12.009 3.885 1.00 0.00 N ATOM 1294 CA SER A 79 -15.141 11.650 2.834 1.00 0.00 C ATOM 1295 C SER A 79 -15.193 10.129 2.676 1.00 0.00 C ATOM 1296 O SER A 79 -16.245 9.518 2.858 1.00 0.00 O ATOM 1297 CB SER A 79 -14.759 12.308 1.507 1.00 0.00 C ATOM 1298 OG SER A 79 -15.833 13.067 0.959 1.00 0.00 O ATOM 0 H SER A 79 -13.304 12.357 3.553 1.00 0.00 H new ATOM 0 HA SER A 79 -16.129 12.014 3.118 1.00 0.00 H new ATOM 0 HB2 SER A 79 -13.897 12.957 1.659 1.00 0.00 H new ATOM 0 HB3 SER A 79 -14.458 11.540 0.795 1.00 0.00 H new ATOM 0 HG SER A 79 -15.559 14.004 0.869 1.00 0.00 H new ATOM 1304 N VAL A 80 -14.044 9.561 2.340 1.00 0.00 N ATOM 1305 CA VAL A 80 -13.945 8.123 2.156 1.00 0.00 C ATOM 1306 C VAL A 80 -13.867 7.442 3.524 1.00 0.00 C ATOM 1307 O VAL A 80 -14.359 6.328 3.696 1.00 0.00 O ATOM 1308 CB VAL A 80 -12.754 7.792 1.254 1.00 0.00 C ATOM 1309 CG1 VAL A 80 -11.467 8.420 1.793 1.00 0.00 C ATOM 1310 CG2 VAL A 80 -12.598 6.279 1.086 1.00 0.00 C ATOM 0 H VAL A 80 -13.173 10.071 2.190 1.00 0.00 H new ATOM 0 HA VAL A 80 -14.833 7.740 1.653 1.00 0.00 H new ATOM 0 HB VAL A 80 -12.949 8.220 0.271 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -10.636 8.169 1.134 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -11.581 9.503 1.837 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -11.265 8.035 2.793 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -11.745 6.071 0.441 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -12.436 5.819 2.061 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -13.502 5.868 0.636 1.00 0.00 H new ATOM 1320 N LEU A 81 -13.244 8.140 4.462 1.00 0.00 N ATOM 1321 CA LEU A 81 -13.095 7.617 5.809 1.00 0.00 C ATOM 1322 C LEU A 81 -14.478 7.323 6.394 1.00 0.00 C ATOM 1323 O LEU A 81 -14.591 6.691 7.443 1.00 0.00 O ATOM 1324 CB LEU A 81 -12.256 8.569 6.664 1.00 0.00 C ATOM 1325 CG LEU A 81 -12.298 8.328 8.175 1.00 0.00 C ATOM 1326 CD1 LEU A 81 -13.646 8.755 8.760 1.00 0.00 C ATOM 1327 CD2 LEU A 81 -11.964 6.873 8.507 1.00 0.00 C ATOM 0 H LEU A 81 -12.837 9.064 4.316 1.00 0.00 H new ATOM 0 HA LEU A 81 -12.548 6.674 5.793 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -11.219 8.503 6.334 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -12.588 9.589 6.469 1.00 0.00 H new ATOM 0 HG LEU A 81 -11.533 8.948 8.642 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -13.650 8.573 9.835 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -13.805 9.817 8.571 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -14.445 8.179 8.292 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -12.001 6.729 9.587 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -12.689 6.215 8.028 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.964 6.637 8.143 1.00 0.00 H new ATOM 1339 N LYS A 82 -15.496 7.796 5.689 1.00 0.00 N ATOM 1340 CA LYS A 82 -16.867 7.592 6.124 1.00 0.00 C ATOM 1341 C LYS A 82 -17.620 6.789 5.062 1.00 0.00 C ATOM 1342 O LYS A 82 -17.475 5.570 4.981 1.00 0.00 O ATOM 1343 CB LYS A 82 -17.525 8.930 6.466 1.00 0.00 C ATOM 1344 CG LYS A 82 -18.136 8.898 7.869 1.00 0.00 C ATOM 1345 CD LYS A 82 -17.056 9.049 8.941 1.00 0.00 C ATOM 1346 CE LYS A 82 -17.027 10.476 9.492 1.00 0.00 C ATOM 1347 NZ LYS A 82 -16.768 10.464 10.949 1.00 0.00 N ATOM 0 H LYS A 82 -15.398 8.320 4.819 1.00 0.00 H new ATOM 0 HA LYS A 82 -16.892 7.007 7.043 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -16.786 9.729 6.406 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -18.300 9.156 5.733 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -18.867 9.700 7.969 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -18.670 7.959 8.016 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -17.243 8.346 9.752 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -16.083 8.798 8.520 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -16.254 11.053 8.984 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -17.978 10.970 9.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -16.752 11.440 11.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -17.520 9.931 11.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -15.850 10.012 11.135 1.00 0.00 H new ATOM 1361 N TYR A 83 -18.409 7.505 4.274 1.00 0.00 N ATOM 1362 CA TYR A 83 -19.186 6.874 3.221 1.00 0.00 C ATOM 1363 C TYR A 83 -19.184 7.729 1.952 1.00 0.00 C ATOM 1364 O TYR A 83 -19.812 7.370 0.956 1.00 0.00 O ATOM 1365 CB TYR A 83 -20.617 6.776 3.753 1.00 0.00 C ATOM 1366 CG TYR A 83 -20.812 7.404 5.135 1.00 0.00 C ATOM 1367 CD1 TYR A 83 -20.785 8.776 5.279 1.00 0.00 C ATOM 1368 CD2 TYR A 83 -21.014 6.598 6.236 1.00 0.00 C ATOM 1369 CE1 TYR A 83 -20.968 9.367 6.580 1.00 0.00 C ATOM 1370 CE2 TYR A 83 -21.197 7.188 7.537 1.00 0.00 C ATOM 1371 CZ TYR A 83 -21.165 8.543 7.644 1.00 0.00 C ATOM 1372 OH TYR A 83 -21.338 9.101 8.873 1.00 0.00 O ATOM 0 H TYR A 83 -18.527 8.516 4.344 1.00 0.00 H new ATOM 0 HA TYR A 83 -18.768 5.900 2.966 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -21.290 7.261 3.046 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -20.906 5.726 3.798 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -20.627 9.407 4.417 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -21.035 5.524 6.122 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -20.949 10.439 6.707 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -21.356 6.569 8.407 1.00 0.00 H new ATOM 0 HH TYR A 83 -21.469 8.393 9.538 1.00 0.00 H new ATOM 1382 N LYS A 84 -18.472 8.843 2.028 1.00 0.00 N ATOM 1383 CA LYS A 84 -18.380 9.752 0.898 1.00 0.00 C ATOM 1384 C LYS A 84 -17.720 9.031 -0.278 1.00 0.00 C ATOM 1385 O LYS A 84 -17.996 7.858 -0.526 1.00 0.00 O ATOM 1386 CB LYS A 84 -17.667 11.043 1.306 1.00 0.00 C ATOM 1387 CG LYS A 84 -18.444 12.272 0.828 1.00 0.00 C ATOM 1388 CD LYS A 84 -18.662 12.229 -0.685 1.00 0.00 C ATOM 1389 CE LYS A 84 -17.693 13.169 -1.405 1.00 0.00 C ATOM 1390 NZ LYS A 84 -17.924 14.570 -0.989 1.00 0.00 N ATOM 0 H LYS A 84 -17.953 9.137 2.855 1.00 0.00 H new ATOM 0 HA LYS A 84 -19.375 10.054 0.570 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -17.558 11.076 2.390 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -16.662 11.057 0.884 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -19.407 12.318 1.336 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -17.899 13.177 1.095 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -18.523 11.210 -1.047 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -19.689 12.512 -0.916 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -16.665 12.882 -1.182 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -17.822 13.078 -2.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -17.727 15.206 -1.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -18.914 14.685 -0.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -17.294 14.805 -0.196 1.00 0.00 H new ATOM 1404 N HIS A 85 -16.860 9.762 -0.973 1.00 0.00 N ATOM 1405 CA HIS A 85 -16.159 9.206 -2.118 1.00 0.00 C ATOM 1406 C HIS A 85 -16.016 7.692 -1.947 1.00 0.00 C ATOM 1407 O HIS A 85 -16.065 6.947 -2.924 1.00 0.00 O ATOM 1408 CB HIS A 85 -14.815 9.908 -2.324 1.00 0.00 C ATOM 1409 CG HIS A 85 -14.936 11.358 -2.729 1.00 0.00 C ATOM 1410 ND1 HIS A 85 -13.953 12.295 -2.461 1.00 0.00 N ATOM 1411 CD2 HIS A 85 -15.932 12.021 -3.384 1.00 0.00 C ATOM 1412 CE1 HIS A 85 -14.351 13.466 -2.937 1.00 0.00 C ATOM 1413 NE2 HIS A 85 -15.577 13.294 -3.509 1.00 0.00 N ATOM 0 H HIS A 85 -16.633 10.734 -0.765 1.00 0.00 H new ATOM 0 HA HIS A 85 -16.739 9.381 -3.024 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -14.239 9.846 -1.401 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -14.251 9.374 -3.088 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -16.853 11.584 -3.740 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -13.801 14.394 -2.882 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -16.130 14.023 -3.959 1.00 0.00 H new ATOM 1421 N THR A 86 -15.844 7.283 -0.699 1.00 0.00 N ATOM 1422 CA THR A 86 -15.695 5.872 -0.388 1.00 0.00 C ATOM 1423 C THR A 86 -16.771 5.052 -1.101 1.00 0.00 C ATOM 1424 O THR A 86 -16.565 3.876 -1.400 1.00 0.00 O ATOM 1425 CB THR A 86 -15.722 5.718 1.134 1.00 0.00 C ATOM 1426 OG1 THR A 86 -16.044 4.345 1.338 1.00 0.00 O ATOM 1427 CG2 THR A 86 -16.886 6.473 1.779 1.00 0.00 C ATOM 0 H THR A 86 -15.804 7.904 0.109 1.00 0.00 H new ATOM 0 HA THR A 86 -14.743 5.485 -0.751 1.00 0.00 H new ATOM 0 HB THR A 86 -14.781 6.077 1.551 1.00 0.00 H new ATOM 0 HG1 THR A 86 -16.081 4.157 2.299 1.00 0.00 H new ATOM 0 HG21 THR A 86 -16.858 6.330 2.859 1.00 0.00 H new ATOM 0 HG22 THR A 86 -16.801 7.536 1.551 1.00 0.00 H new ATOM 0 HG23 THR A 86 -17.829 6.092 1.387 1.00 0.00 H new ATOM 1435 N ASP A 87 -17.897 5.704 -1.353 1.00 0.00 N ATOM 1436 CA ASP A 87 -19.006 5.049 -2.025 1.00 0.00 C ATOM 1437 C ASP A 87 -18.463 4.137 -3.127 1.00 0.00 C ATOM 1438 O ASP A 87 -17.305 3.726 -3.082 1.00 0.00 O ATOM 1439 CB ASP A 87 -19.937 6.074 -2.676 1.00 0.00 C ATOM 1440 CG ASP A 87 -21.421 5.901 -2.347 1.00 0.00 C ATOM 1441 OD1 ASP A 87 -21.703 5.195 -1.355 1.00 0.00 O ATOM 1442 OD2 ASP A 87 -22.240 6.479 -3.094 1.00 0.00 O ATOM 0 H ASP A 87 -18.065 6.679 -1.104 1.00 0.00 H new ATOM 0 HA ASP A 87 -19.561 4.478 -1.281 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -19.626 7.072 -2.368 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -19.812 6.021 -3.757 1.00 0.00 H new ATOM 1447 N PRO A 88 -19.348 3.840 -4.116 1.00 0.00 N ATOM 1448 CA PRO A 88 -18.969 2.985 -5.227 1.00 0.00 C ATOM 1449 C PRO A 88 -18.067 3.732 -6.212 1.00 0.00 C ATOM 1450 O PRO A 88 -17.930 3.326 -7.365 1.00 0.00 O ATOM 1451 CB PRO A 88 -20.284 2.539 -5.847 1.00 0.00 C ATOM 1452 CG PRO A 88 -21.331 3.525 -5.355 1.00 0.00 C ATOM 1453 CD PRO A 88 -20.728 4.310 -4.202 1.00 0.00 C ATOM 0 HA PRO A 88 -18.380 2.124 -4.912 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -20.224 2.543 -6.935 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -20.533 1.522 -5.545 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -21.630 4.197 -6.159 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -22.228 2.998 -5.030 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -20.770 5.383 -4.389 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -21.268 4.127 -3.273 1.00 0.00 H new ATOM 1461 N THR A 89 -17.474 4.810 -5.720 1.00 0.00 N ATOM 1462 CA THR A 89 -16.588 5.617 -6.542 1.00 0.00 C ATOM 1463 C THR A 89 -15.145 5.126 -6.413 1.00 0.00 C ATOM 1464 O THR A 89 -14.428 5.025 -7.408 1.00 0.00 O ATOM 1465 CB THR A 89 -16.770 7.081 -6.136 1.00 0.00 C ATOM 1466 OG1 THR A 89 -16.810 7.783 -7.376 1.00 0.00 O ATOM 1467 CG2 THR A 89 -15.540 7.649 -5.426 1.00 0.00 C ATOM 0 H THR A 89 -17.590 5.143 -4.763 1.00 0.00 H new ATOM 0 HA THR A 89 -16.836 5.524 -7.599 1.00 0.00 H new ATOM 0 HB THR A 89 -17.639 7.171 -5.484 1.00 0.00 H new ATOM 0 HG1 THR A 89 -15.906 7.838 -7.750 1.00 0.00 H new ATOM 0 HG21 THR A 89 -15.722 8.690 -5.160 1.00 0.00 H new ATOM 0 HG22 THR A 89 -15.343 7.072 -4.522 1.00 0.00 H new ATOM 0 HG23 THR A 89 -14.677 7.590 -6.089 1.00 0.00 H new ATOM 1475 N PHE A 90 -14.762 4.832 -5.179 1.00 0.00 N ATOM 1476 CA PHE A 90 -13.417 4.354 -4.907 1.00 0.00 C ATOM 1477 C PHE A 90 -13.425 2.863 -4.564 1.00 0.00 C ATOM 1478 O PHE A 90 -12.417 2.178 -4.735 1.00 0.00 O ATOM 1479 CB PHE A 90 -12.898 5.140 -3.701 1.00 0.00 C ATOM 1480 CG PHE A 90 -12.143 6.418 -4.069 1.00 0.00 C ATOM 1481 CD1 PHE A 90 -11.286 6.421 -5.125 1.00 0.00 C ATOM 1482 CD2 PHE A 90 -12.329 7.551 -3.341 1.00 0.00 C ATOM 1483 CE1 PHE A 90 -10.585 7.608 -5.467 1.00 0.00 C ATOM 1484 CE2 PHE A 90 -11.628 8.738 -3.682 1.00 0.00 C ATOM 1485 CZ PHE A 90 -10.770 8.741 -4.738 1.00 0.00 C ATOM 0 H PHE A 90 -15.360 4.916 -4.357 1.00 0.00 H new ATOM 0 HA PHE A 90 -12.787 4.494 -5.785 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -13.740 5.400 -3.060 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -12.240 4.497 -3.117 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -11.138 5.521 -5.703 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -13.010 7.548 -2.503 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -9.905 7.611 -6.306 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -11.776 9.638 -3.103 1.00 0.00 H new ATOM 0 HZ PHE A 90 -10.236 9.643 -4.997 1.00 0.00 H new ATOM 1495 N GLY A 91 -14.572 2.404 -4.087 1.00 0.00 N ATOM 1496 CA GLY A 91 -14.724 1.006 -3.719 1.00 0.00 C ATOM 1497 C GLY A 91 -13.967 0.098 -4.690 1.00 0.00 C ATOM 1498 O GLY A 91 -12.742 0.007 -4.634 1.00 0.00 O ATOM 0 H GLY A 91 -15.405 2.975 -3.947 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -14.353 0.851 -2.706 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -15.781 0.740 -3.716 1.00 0.00 H new ATOM 1502 N MET A 92 -14.729 -0.551 -5.559 1.00 0.00 N ATOM 1503 CA MET A 92 -14.145 -1.449 -6.541 1.00 0.00 C ATOM 1504 C MET A 92 -12.713 -1.033 -6.882 1.00 0.00 C ATOM 1505 O MET A 92 -11.777 -1.364 -6.156 1.00 0.00 O ATOM 1506 CB MET A 92 -14.997 -1.438 -7.812 1.00 0.00 C ATOM 1507 CG MET A 92 -15.393 -0.010 -8.194 1.00 0.00 C ATOM 1508 SD MET A 92 -16.783 0.522 -7.208 1.00 0.00 S ATOM 1509 CE MET A 92 -16.055 1.924 -6.377 1.00 0.00 C ATOM 0 H MET A 92 -15.745 -0.473 -5.603 1.00 0.00 H new ATOM 0 HA MET A 92 -14.120 -2.453 -6.118 1.00 0.00 H new ATOM 0 HB2 MET A 92 -14.442 -1.897 -8.630 1.00 0.00 H new ATOM 0 HB3 MET A 92 -15.893 -2.039 -7.659 1.00 0.00 H new ATOM 0 HG2 MET A 92 -14.549 0.663 -8.042 1.00 0.00 H new ATOM 0 HG3 MET A 92 -15.649 0.034 -9.253 1.00 0.00 H new ATOM 0 HE1 MET A 92 -16.469 2.007 -5.372 1.00 0.00 H new ATOM 0 HE2 MET A 92 -14.975 1.790 -6.315 1.00 0.00 H new ATOM 0 HE3 MET A 92 -16.276 2.833 -6.936 1.00 0.00 H new ATOM 1519 N ASP A 93 -12.587 -0.312 -7.987 1.00 0.00 N ATOM 1520 CA ASP A 93 -11.285 0.153 -8.433 1.00 0.00 C ATOM 1521 C ASP A 93 -11.142 1.642 -8.111 1.00 0.00 C ATOM 1522 O ASP A 93 -11.725 2.486 -8.790 1.00 0.00 O ATOM 1523 CB ASP A 93 -11.126 -0.021 -9.944 1.00 0.00 C ATOM 1524 CG ASP A 93 -11.002 -1.470 -10.419 1.00 0.00 C ATOM 1525 OD1 ASP A 93 -10.453 -2.278 -9.639 1.00 0.00 O ATOM 1526 OD2 ASP A 93 -11.460 -1.738 -11.551 1.00 0.00 O ATOM 0 H ASP A 93 -13.366 -0.039 -8.586 1.00 0.00 H new ATOM 0 HA ASP A 93 -10.524 -0.435 -7.920 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -11.983 0.436 -10.439 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -10.241 0.528 -10.267 1.00 0.00 H new ATOM 1531 N LEU A 94 -10.364 1.919 -7.075 1.00 0.00 N ATOM 1532 CA LEU A 94 -10.137 3.291 -6.654 1.00 0.00 C ATOM 1533 C LEU A 94 -9.183 3.970 -7.639 1.00 0.00 C ATOM 1534 O LEU A 94 -9.152 5.196 -7.734 1.00 0.00 O ATOM 1535 CB LEU A 94 -9.656 3.334 -5.203 1.00 0.00 C ATOM 1536 CG LEU A 94 -8.142 3.421 -5.000 1.00 0.00 C ATOM 1537 CD1 LEU A 94 -7.405 2.486 -5.962 1.00 0.00 C ATOM 1538 CD2 LEU A 94 -7.655 4.866 -5.120 1.00 0.00 C ATOM 0 H LEU A 94 -9.883 1.216 -6.514 1.00 0.00 H new ATOM 0 HA LEU A 94 -11.070 3.855 -6.672 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -10.118 4.191 -4.713 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -10.020 2.442 -4.694 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.913 3.087 -3.988 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.331 2.567 -5.797 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -7.723 1.458 -5.785 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.636 2.766 -6.990 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -6.576 4.900 -4.972 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.897 5.250 -6.111 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.145 5.479 -4.363 1.00 0.00 H new ATOM 1550 N GLN A 95 -8.427 3.144 -8.347 1.00 0.00 N ATOM 1551 CA GLN A 95 -7.475 3.649 -9.321 1.00 0.00 C ATOM 1552 C GLN A 95 -8.198 4.461 -10.399 1.00 0.00 C ATOM 1553 O GLN A 95 -7.616 5.366 -10.993 1.00 0.00 O ATOM 1554 CB GLN A 95 -6.668 2.508 -9.943 1.00 0.00 C ATOM 1555 CG GLN A 95 -6.606 1.304 -9.001 1.00 0.00 C ATOM 1556 CD GLN A 95 -7.713 0.298 -9.324 1.00 0.00 C ATOM 1557 OE1 GLN A 95 -8.722 0.206 -8.644 1.00 0.00 O ATOM 1558 NE2 GLN A 95 -7.469 -0.450 -10.396 1.00 0.00 N ATOM 0 H GLN A 95 -8.455 2.128 -8.265 1.00 0.00 H new ATOM 0 HA GLN A 95 -6.774 4.307 -8.807 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -7.121 2.211 -10.889 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -5.658 2.852 -10.167 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -5.633 0.820 -9.087 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -6.705 1.640 -7.969 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -6.604 -0.322 -10.921 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -8.147 -1.152 -10.693 1.00 0.00 H new ATOM 1567 N LYS A 96 -9.455 4.106 -10.617 1.00 0.00 N ATOM 1568 CA LYS A 96 -10.263 4.790 -11.613 1.00 0.00 C ATOM 1569 C LYS A 96 -10.474 6.243 -11.181 1.00 0.00 C ATOM 1570 O LYS A 96 -10.661 7.122 -12.021 1.00 0.00 O ATOM 1571 CB LYS A 96 -11.566 4.027 -11.861 1.00 0.00 C ATOM 1572 CG LYS A 96 -11.293 2.542 -12.109 1.00 0.00 C ATOM 1573 CD LYS A 96 -10.086 2.352 -13.029 1.00 0.00 C ATOM 1574 CE LYS A 96 -10.086 0.955 -13.653 1.00 0.00 C ATOM 1575 NZ LYS A 96 -11.062 0.884 -14.764 1.00 0.00 N ATOM 0 H LYS A 96 -9.934 3.354 -10.122 1.00 0.00 H new ATOM 0 HA LYS A 96 -9.747 4.814 -12.573 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -12.227 4.140 -11.002 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -12.084 4.454 -12.720 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -11.114 2.038 -11.159 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -12.172 2.077 -12.556 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -10.102 3.106 -13.816 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -9.166 2.501 -12.464 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -9.089 0.715 -14.021 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -10.334 0.212 -12.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -10.932 -0.007 -15.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -12.028 0.924 -14.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -10.912 1.686 -15.409 1.00 0.00 H new ATOM 1589 N CYS A 97 -10.438 6.449 -9.873 1.00 0.00 N ATOM 1590 CA CYS A 97 -10.623 7.781 -9.321 1.00 0.00 C ATOM 1591 C CYS A 97 -9.246 8.358 -8.987 1.00 0.00 C ATOM 1592 O CYS A 97 -8.944 9.496 -9.341 1.00 0.00 O ATOM 1593 CB CYS A 97 -11.545 7.763 -8.100 1.00 0.00 C ATOM 1594 SG CYS A 97 -13.292 7.881 -8.634 1.00 0.00 S ATOM 0 H CYS A 97 -10.284 5.717 -9.180 1.00 0.00 H new ATOM 0 HA CYS A 97 -11.114 8.418 -10.057 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -11.391 6.846 -7.531 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -11.302 8.594 -7.438 1.00 0.00 H new ATOM 0 HG CYS A 97 -13.938 6.823 -8.243 1.00 0.00 H new ATOM 1600 N VAL A 98 -8.447 7.546 -8.310 1.00 0.00 N ATOM 1601 CA VAL A 98 -7.110 7.962 -7.925 1.00 0.00 C ATOM 1602 C VAL A 98 -6.263 8.169 -9.182 1.00 0.00 C ATOM 1603 O VAL A 98 -5.329 8.969 -9.181 1.00 0.00 O ATOM 1604 CB VAL A 98 -6.504 6.944 -6.956 1.00 0.00 C ATOM 1605 CG1 VAL A 98 -5.003 6.776 -7.206 1.00 0.00 C ATOM 1606 CG2 VAL A 98 -6.777 7.338 -5.504 1.00 0.00 C ATOM 0 H VAL A 98 -8.701 6.602 -8.018 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.144 8.914 -7.396 1.00 0.00 H new ATOM 0 HB VAL A 98 -6.984 5.982 -7.137 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -4.597 6.047 -6.504 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -4.841 6.427 -8.226 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -4.501 7.734 -7.066 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -6.335 6.598 -4.837 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -6.338 8.315 -5.303 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -7.853 7.383 -5.335 1.00 0.00 H new ATOM 1616 N GLN A 99 -6.619 7.433 -10.225 1.00 0.00 N ATOM 1617 CA GLN A 99 -5.904 7.526 -11.486 1.00 0.00 C ATOM 1618 C GLN A 99 -5.538 8.981 -11.783 1.00 0.00 C ATOM 1619 O GLN A 99 -4.572 9.249 -12.496 1.00 0.00 O ATOM 1620 CB GLN A 99 -6.725 6.923 -12.628 1.00 0.00 C ATOM 1621 CG GLN A 99 -8.208 7.268 -12.479 1.00 0.00 C ATOM 1622 CD GLN A 99 -8.655 8.245 -13.568 1.00 0.00 C ATOM 1623 OE1 GLN A 99 -9.463 7.931 -14.426 1.00 0.00 O ATOM 1624 NE2 GLN A 99 -8.085 9.444 -13.487 1.00 0.00 N ATOM 0 H GLN A 99 -7.394 6.769 -10.222 1.00 0.00 H new ATOM 0 HA GLN A 99 -4.982 6.950 -11.402 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -6.355 7.296 -13.583 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -6.599 5.840 -12.639 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -8.804 6.357 -12.535 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -8.386 7.706 -11.497 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -7.416 9.641 -12.743 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -8.317 10.166 -14.169 1.00 0.00 H new ATOM 1633 N ARG A 100 -6.328 9.883 -11.220 1.00 0.00 N ATOM 1634 CA ARG A 100 -6.100 11.305 -11.416 1.00 0.00 C ATOM 1635 C ARG A 100 -7.396 12.087 -11.194 1.00 0.00 C ATOM 1636 O ARG A 100 -7.367 13.299 -10.989 1.00 0.00 O ATOM 1637 CB ARG A 100 -5.575 11.590 -12.824 1.00 0.00 C ATOM 1638 CG ARG A 100 -5.711 13.074 -13.170 1.00 0.00 C ATOM 1639 CD ARG A 100 -7.022 13.347 -13.909 1.00 0.00 C ATOM 1640 NE ARG A 100 -7.804 14.377 -13.189 1.00 0.00 N ATOM 1641 CZ ARG A 100 -8.764 15.122 -13.753 1.00 0.00 C ATOM 1642 NH1 ARG A 100 -9.067 14.957 -15.048 1.00 0.00 N ATOM 1643 NH2 ARG A 100 -9.422 16.033 -13.022 1.00 0.00 N ATOM 0 H ARG A 100 -7.127 9.657 -10.628 1.00 0.00 H new ATOM 0 HA ARG A 100 -5.351 11.623 -10.690 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -4.529 11.291 -12.893 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -6.126 10.992 -13.550 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -5.673 13.669 -12.257 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -4.869 13.385 -13.788 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -6.813 13.681 -14.925 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -7.602 12.428 -13.989 1.00 0.00 H new ATOM 0 HE ARG A 100 -7.599 14.529 -12.201 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -8.567 14.264 -15.605 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -9.798 15.524 -15.477 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -9.192 16.159 -12.036 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -10.153 16.600 -13.451 1.00 0.00 H new ATOM 1657 N GLY A 101 -8.503 11.360 -11.242 1.00 0.00 N ATOM 1658 CA GLY A 101 -9.808 11.970 -11.049 1.00 0.00 C ATOM 1659 C GLY A 101 -9.903 12.637 -9.675 1.00 0.00 C ATOM 1660 O GLY A 101 -8.987 13.346 -9.260 1.00 0.00 O ATOM 0 H GLY A 101 -8.523 10.354 -11.412 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -9.987 12.710 -11.829 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -10.585 11.212 -11.144 1.00 0.00 H new ATOM 1664 N LEU A 102 -11.019 12.386 -9.007 1.00 0.00 N ATOM 1665 CA LEU A 102 -11.246 12.953 -7.689 1.00 0.00 C ATOM 1666 C LEU A 102 -10.046 13.816 -7.296 1.00 0.00 C ATOM 1667 O LEU A 102 -10.108 15.042 -7.369 1.00 0.00 O ATOM 1668 CB LEU A 102 -11.567 11.849 -6.679 1.00 0.00 C ATOM 1669 CG LEU A 102 -12.474 12.249 -5.514 1.00 0.00 C ATOM 1670 CD1 LEU A 102 -13.691 11.325 -5.424 1.00 0.00 C ATOM 1671 CD2 LEU A 102 -11.692 12.295 -4.200 1.00 0.00 C ATOM 0 H LEU A 102 -11.776 11.797 -9.354 1.00 0.00 H new ATOM 0 HA LEU A 102 -12.118 13.606 -7.700 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -12.037 11.022 -7.212 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -10.629 11.473 -6.271 1.00 0.00 H new ATOM 0 HG LEU A 102 -12.847 13.256 -5.702 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -14.319 11.631 -4.588 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -14.264 11.386 -6.349 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -13.358 10.299 -5.271 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -12.361 12.582 -3.388 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -11.271 11.311 -3.993 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -10.886 13.025 -4.281 1.00 0.00 H new ATOM 1683 N TRP A 103 -8.981 13.142 -6.887 1.00 0.00 N ATOM 1684 CA TRP A 103 -7.768 13.832 -6.483 1.00 0.00 C ATOM 1685 C TRP A 103 -6.573 13.027 -6.996 1.00 0.00 C ATOM 1686 O TRP A 103 -6.700 11.840 -7.293 1.00 0.00 O ATOM 1687 CB TRP A 103 -7.738 14.046 -4.968 1.00 0.00 C ATOM 1688 CG TRP A 103 -7.635 15.514 -4.549 1.00 0.00 C ATOM 1689 CD1 TRP A 103 -6.741 16.427 -4.953 1.00 0.00 C ATOM 1690 CD2 TRP A 103 -8.499 16.206 -3.622 1.00 0.00 C ATOM 1691 NE1 TRP A 103 -6.964 17.651 -4.357 1.00 0.00 N ATOM 1692 CE2 TRP A 103 -8.066 17.513 -3.522 1.00 0.00 C ATOM 1693 CE3 TRP A 103 -9.608 15.743 -2.893 1.00 0.00 C ATOM 1694 CZ2 TRP A 103 -8.685 18.464 -2.702 1.00 0.00 C ATOM 1695 CZ3 TRP A 103 -10.215 16.706 -2.078 1.00 0.00 C ATOM 1696 CH2 TRP A 103 -9.793 18.026 -1.966 1.00 0.00 C ATOM 0 H TRP A 103 -8.933 12.125 -6.827 1.00 0.00 H new ATOM 0 HA TRP A 103 -7.729 14.830 -6.919 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -8.641 13.617 -4.533 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -6.892 13.499 -4.551 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -5.946 16.229 -5.657 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -6.420 18.501 -4.503 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -9.964 14.725 -2.957 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -8.327 19.481 -2.640 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -11.072 16.402 -1.495 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -10.317 18.710 -1.315 1.00 0.00 H new ATOM 1707 N ASN A 104 -5.438 13.705 -7.085 1.00 0.00 N ATOM 1708 CA ASN A 104 -4.220 13.068 -7.558 1.00 0.00 C ATOM 1709 C ASN A 104 -3.273 12.848 -6.376 1.00 0.00 C ATOM 1710 O ASN A 104 -2.390 13.666 -6.123 1.00 0.00 O ATOM 1711 CB ASN A 104 -3.501 13.947 -8.583 1.00 0.00 C ATOM 1712 CG ASN A 104 -3.114 15.296 -7.974 1.00 0.00 C ATOM 1713 OD1 ASN A 104 -3.507 15.645 -6.873 1.00 0.00 O ATOM 1714 ND2 ASN A 104 -2.323 16.032 -8.749 1.00 0.00 N ATOM 0 H ASN A 104 -5.336 14.689 -6.838 1.00 0.00 H new ATOM 0 HA ASN A 104 -4.493 12.121 -8.024 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -2.607 13.436 -8.942 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -4.146 14.106 -9.447 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -2.008 16.949 -8.432 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -2.031 15.680 -9.661 1.00 0.00 H new ATOM 1721 N PRO A 105 -3.495 11.710 -5.666 1.00 0.00 N ATOM 1722 CA PRO A 105 -2.672 11.372 -4.517 1.00 0.00 C ATOM 1723 C PRO A 105 -1.295 10.870 -4.958 1.00 0.00 C ATOM 1724 O PRO A 105 -1.048 10.691 -6.150 1.00 0.00 O ATOM 1725 CB PRO A 105 -3.469 10.326 -3.756 1.00 0.00 C ATOM 1726 CG PRO A 105 -4.488 9.779 -4.742 1.00 0.00 C ATOM 1727 CD PRO A 105 -4.532 10.718 -5.936 1.00 0.00 C ATOM 0 HA PRO A 105 -2.462 12.233 -3.882 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -2.819 9.533 -3.386 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -3.962 10.765 -2.889 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -4.212 8.773 -5.058 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -5.471 9.708 -4.276 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -4.337 10.185 -6.866 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -5.511 11.186 -6.036 1.00 0.00 H new ATOM 1735 N LYS A 106 -0.435 10.656 -3.973 1.00 0.00 N ATOM 1736 CA LYS A 106 0.910 10.179 -4.244 1.00 0.00 C ATOM 1737 C LYS A 106 1.418 9.386 -3.038 1.00 0.00 C ATOM 1738 O LYS A 106 2.537 9.600 -2.577 1.00 0.00 O ATOM 1739 CB LYS A 106 1.821 11.341 -4.644 1.00 0.00 C ATOM 1740 CG LYS A 106 1.007 12.607 -4.917 1.00 0.00 C ATOM 1741 CD LYS A 106 0.371 13.138 -3.630 1.00 0.00 C ATOM 1742 CE LYS A 106 1.192 12.731 -2.405 1.00 0.00 C ATOM 1743 NZ LYS A 106 2.540 13.339 -2.460 1.00 0.00 N ATOM 0 H LYS A 106 -0.644 10.804 -2.986 1.00 0.00 H new ATOM 0 HA LYS A 106 0.908 9.499 -5.096 1.00 0.00 H new ATOM 0 HB2 LYS A 106 2.542 11.532 -3.849 1.00 0.00 H new ATOM 0 HB3 LYS A 106 2.391 11.072 -5.533 1.00 0.00 H new ATOM 0 HG2 LYS A 106 1.651 13.372 -5.351 1.00 0.00 H new ATOM 0 HG3 LYS A 106 0.229 12.393 -5.650 1.00 0.00 H new ATOM 0 HD2 LYS A 106 0.297 14.224 -3.678 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -0.644 12.753 -3.536 1.00 0.00 H new ATOM 0 HE2 LYS A 106 0.681 13.047 -1.496 1.00 0.00 H new ATOM 0 HE3 LYS A 106 1.278 11.645 -2.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 3.261 12.590 -2.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 2.646 13.869 -3.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 2.662 13.986 -1.655 1.00 0.00 H new ATOM 1757 N GLU A 107 0.569 8.486 -2.562 1.00 0.00 N ATOM 1758 CA GLU A 107 0.918 7.660 -1.419 1.00 0.00 C ATOM 1759 C GLU A 107 1.047 6.196 -1.841 1.00 0.00 C ATOM 1760 O GLU A 107 0.330 5.737 -2.729 1.00 0.00 O ATOM 1761 CB GLU A 107 -0.108 7.818 -0.295 1.00 0.00 C ATOM 1762 CG GLU A 107 -0.466 9.291 -0.082 1.00 0.00 C ATOM 1763 CD GLU A 107 0.525 9.963 0.871 1.00 0.00 C ATOM 1764 OE1 GLU A 107 0.300 9.850 2.095 1.00 0.00 O ATOM 1765 OE2 GLU A 107 1.484 10.575 0.353 1.00 0.00 O ATOM 0 H GLU A 107 -0.359 8.311 -2.947 1.00 0.00 H new ATOM 0 HA GLU A 107 1.883 7.993 -1.036 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -1.008 7.253 -0.537 1.00 0.00 H new ATOM 0 HB3 GLU A 107 0.292 7.400 0.629 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -0.465 9.811 -1.040 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -1.475 9.369 0.322 1.00 0.00 H new ATOM 1772 N ALA A 108 1.966 5.502 -1.186 1.00 0.00 N ATOM 1773 CA ALA A 108 2.199 4.099 -1.482 1.00 0.00 C ATOM 1774 C ALA A 108 1.765 3.251 -0.285 1.00 0.00 C ATOM 1775 O ALA A 108 2.216 3.477 0.836 1.00 0.00 O ATOM 1776 CB ALA A 108 3.671 3.890 -1.842 1.00 0.00 C ATOM 0 H ALA A 108 2.559 5.886 -0.450 1.00 0.00 H new ATOM 0 HA ALA A 108 1.606 3.785 -2.341 1.00 0.00 H new ATOM 0 HB1 ALA A 108 3.845 2.837 -2.064 1.00 0.00 H new ATOM 0 HB2 ALA A 108 3.921 4.491 -2.716 1.00 0.00 H new ATOM 0 HB3 ALA A 108 4.297 4.192 -1.003 1.00 0.00 H new ATOM 1782 N LEU A 109 0.894 2.292 -0.565 1.00 0.00 N ATOM 1783 CA LEU A 109 0.395 1.408 0.475 1.00 0.00 C ATOM 1784 C LEU A 109 1.130 0.069 0.397 1.00 0.00 C ATOM 1785 O LEU A 109 1.032 -0.640 -0.603 1.00 0.00 O ATOM 1786 CB LEU A 109 -1.127 1.280 0.383 1.00 0.00 C ATOM 1787 CG LEU A 109 -1.848 2.384 -0.393 1.00 0.00 C ATOM 1788 CD1 LEU A 109 -1.917 2.050 -1.884 1.00 0.00 C ATOM 1789 CD2 LEU A 109 -3.233 2.656 0.198 1.00 0.00 C ATOM 0 H LEU A 109 0.521 2.108 -1.497 1.00 0.00 H new ATOM 0 HA LEU A 109 0.599 1.826 1.461 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -1.364 0.323 -0.082 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -1.531 1.252 1.395 1.00 0.00 H new ATOM 0 HG LEU A 109 -1.270 3.303 -0.295 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -2.434 2.851 -2.413 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -0.907 1.946 -2.281 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -2.459 1.114 -2.023 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -3.723 3.445 -0.372 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -3.833 1.747 0.151 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -3.130 2.970 1.237 1.00 0.00 H new ATOM 1801 N TRP A 110 1.851 -0.237 1.466 1.00 0.00 N ATOM 1802 CA TRP A 110 2.603 -1.478 1.532 1.00 0.00 C ATOM 1803 C TRP A 110 1.991 -2.344 2.635 1.00 0.00 C ATOM 1804 O TRP A 110 1.953 -1.940 3.796 1.00 0.00 O ATOM 1805 CB TRP A 110 4.094 -1.206 1.743 1.00 0.00 C ATOM 1806 CG TRP A 110 4.800 -2.249 2.611 1.00 0.00 C ATOM 1807 CD1 TRP A 110 5.617 -2.040 3.652 1.00 0.00 C ATOM 1808 CD2 TRP A 110 4.719 -3.683 2.468 1.00 0.00 C ATOM 1809 NE1 TRP A 110 6.066 -3.229 4.190 1.00 0.00 N ATOM 1810 CE2 TRP A 110 5.503 -4.260 3.447 1.00 0.00 C ATOM 1811 CE3 TRP A 110 4.006 -4.467 1.544 1.00 0.00 C ATOM 1812 CZ2 TRP A 110 5.649 -5.645 3.594 1.00 0.00 C ATOM 1813 CZ3 TRP A 110 4.163 -5.849 1.704 1.00 0.00 C ATOM 1814 CH2 TRP A 110 4.948 -6.445 2.684 1.00 0.00 C ATOM 0 H TRP A 110 1.930 0.354 2.294 1.00 0.00 H new ATOM 0 HA TRP A 110 2.537 -2.019 0.588 1.00 0.00 H new ATOM 0 HB2 TRP A 110 4.586 -1.164 0.771 1.00 0.00 H new ATOM 0 HB3 TRP A 110 4.212 -0.225 2.203 1.00 0.00 H new ATOM 0 HD1 TRP A 110 5.890 -1.063 4.024 1.00 0.00 H new ATOM 0 HE1 TRP A 110 6.695 -3.332 4.986 1.00 0.00 H new ATOM 0 HE3 TRP A 110 3.386 -4.037 0.771 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 6.269 -6.073 4.368 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 3.638 -6.497 1.018 1.00 0.00 H new ATOM 0 HH2 TRP A 110 5.017 -7.521 2.743 1.00 0.00 H new ATOM 1825 N VAL A 111 1.528 -3.518 2.233 1.00 0.00 N ATOM 1826 CA VAL A 111 0.920 -4.444 3.173 1.00 0.00 C ATOM 1827 C VAL A 111 1.531 -5.834 2.982 1.00 0.00 C ATOM 1828 O VAL A 111 1.685 -6.297 1.853 1.00 0.00 O ATOM 1829 CB VAL A 111 -0.602 -4.432 3.010 1.00 0.00 C ATOM 1830 CG1 VAL A 111 -1.152 -3.008 3.104 1.00 0.00 C ATOM 1831 CG2 VAL A 111 -1.017 -5.095 1.695 1.00 0.00 C ATOM 0 H VAL A 111 1.562 -3.849 1.269 1.00 0.00 H new ATOM 0 HA VAL A 111 1.126 -4.137 4.198 1.00 0.00 H new ATOM 0 HB VAL A 111 -1.032 -5.011 3.827 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -2.235 -3.028 2.985 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -0.902 -2.585 4.077 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -0.712 -2.395 2.317 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -2.103 -5.073 1.604 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -0.572 -4.556 0.859 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -0.672 -6.129 1.684 1.00 0.00 H new ATOM 1841 N ASP A 112 1.862 -6.459 4.102 1.00 0.00 N ATOM 1842 CA ASP A 112 2.453 -7.786 4.071 1.00 0.00 C ATOM 1843 C ASP A 112 1.434 -8.805 4.586 1.00 0.00 C ATOM 1844 O ASP A 112 0.869 -8.633 5.665 1.00 0.00 O ATOM 1845 CB ASP A 112 3.690 -7.859 4.969 1.00 0.00 C ATOM 1846 CG ASP A 112 4.320 -9.248 5.090 1.00 0.00 C ATOM 1847 OD1 ASP A 112 4.454 -9.904 4.034 1.00 0.00 O ATOM 1848 OD2 ASP A 112 4.654 -9.622 6.234 1.00 0.00 O ATOM 0 H ASP A 112 1.732 -6.071 5.036 1.00 0.00 H new ATOM 0 HA ASP A 112 2.741 -8.003 3.042 1.00 0.00 H new ATOM 0 HB2 ASP A 112 4.441 -7.168 4.585 1.00 0.00 H new ATOM 0 HB3 ASP A 112 3.418 -7.512 5.966 1.00 0.00 H new ATOM 1853 N TRP A 113 1.230 -9.844 3.789 1.00 0.00 N ATOM 1854 CA TRP A 113 0.289 -10.891 4.151 1.00 0.00 C ATOM 1855 C TRP A 113 1.092 -12.136 4.534 1.00 0.00 C ATOM 1856 O TRP A 113 0.518 -13.195 4.788 1.00 0.00 O ATOM 1857 CB TRP A 113 -0.708 -11.147 3.019 1.00 0.00 C ATOM 1858 CG TRP A 113 -2.126 -11.460 3.498 1.00 0.00 C ATOM 1859 CD1 TRP A 113 -3.144 -10.606 3.678 1.00 0.00 C ATOM 1860 CD2 TRP A 113 -2.647 -12.758 3.854 1.00 0.00 C ATOM 1861 NE1 TRP A 113 -4.277 -11.257 4.122 1.00 0.00 N ATOM 1862 CE2 TRP A 113 -3.965 -12.607 4.232 1.00 0.00 C ATOM 1863 CE3 TRP A 113 -2.024 -14.019 3.856 1.00 0.00 C ATOM 1864 CZ2 TRP A 113 -4.773 -13.675 4.640 1.00 0.00 C ATOM 1865 CZ3 TRP A 113 -2.845 -15.076 4.267 1.00 0.00 C ATOM 1866 CH2 TRP A 113 -4.174 -14.940 4.651 1.00 0.00 C ATOM 0 H TRP A 113 1.700 -9.983 2.894 1.00 0.00 H new ATOM 0 HA TRP A 113 -0.314 -10.589 5.007 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -0.739 -10.271 2.371 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -0.348 -11.979 2.413 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -3.085 -9.543 3.498 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -5.178 -10.827 4.331 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -0.994 -14.161 3.564 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -5.803 -13.531 4.931 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -2.416 -16.067 4.287 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -4.742 -15.806 4.956 1.00 0.00 H new ATOM 1877 N GLU A 114 2.406 -11.969 4.563 1.00 0.00 N ATOM 1878 CA GLU A 114 3.293 -13.066 4.911 1.00 0.00 C ATOM 1879 C GLU A 114 3.614 -13.035 6.406 1.00 0.00 C ATOM 1880 O GLU A 114 3.586 -14.069 7.072 1.00 0.00 O ATOM 1881 CB GLU A 114 4.572 -13.023 4.073 1.00 0.00 C ATOM 1882 CG GLU A 114 4.821 -14.365 3.382 1.00 0.00 C ATOM 1883 CD GLU A 114 3.576 -14.830 2.624 1.00 0.00 C ATOM 1884 OE1 GLU A 114 2.678 -13.982 2.434 1.00 0.00 O ATOM 1885 OE2 GLU A 114 3.551 -16.023 2.251 1.00 0.00 O ATOM 0 H GLU A 114 2.878 -11.090 4.351 1.00 0.00 H new ATOM 0 HA GLU A 114 2.784 -14.004 4.689 1.00 0.00 H new ATOM 0 HB2 GLU A 114 4.494 -12.234 3.325 1.00 0.00 H new ATOM 0 HB3 GLU A 114 5.421 -12.775 4.711 1.00 0.00 H new ATOM 0 HG2 GLU A 114 5.659 -14.272 2.691 1.00 0.00 H new ATOM 0 HG3 GLU A 114 5.101 -15.114 4.123 1.00 0.00 H new ATOM 1892 N ASN A 115 3.912 -11.838 6.890 1.00 0.00 N ATOM 1893 CA ASN A 115 4.239 -11.659 8.295 1.00 0.00 C ATOM 1894 C ASN A 115 3.140 -10.835 8.968 1.00 0.00 C ATOM 1895 O ASN A 115 3.179 -10.613 10.178 1.00 0.00 O ATOM 1896 CB ASN A 115 5.562 -10.909 8.461 1.00 0.00 C ATOM 1897 CG ASN A 115 6.494 -11.648 9.424 1.00 0.00 C ATOM 1898 OD1 ASN A 115 6.867 -12.790 9.214 1.00 0.00 O ATOM 1899 ND2 ASN A 115 6.847 -10.934 10.489 1.00 0.00 N ATOM 0 H ASN A 115 3.934 -10.983 6.335 1.00 0.00 H new ATOM 0 HA ASN A 115 4.325 -12.646 8.750 1.00 0.00 H new ATOM 0 HB2 ASN A 115 6.047 -10.801 7.491 1.00 0.00 H new ATOM 0 HB3 ASN A 115 5.370 -9.903 8.835 1.00 0.00 H new ATOM 0 HD21 ASN A 115 7.467 -11.338 11.191 1.00 0.00 H new ATOM 0 HD22 ASN A 115 6.498 -9.982 10.603 1.00 0.00 H new ATOM 1906 N LYS A 116 2.187 -10.404 8.156 1.00 0.00 N ATOM 1907 CA LYS A 116 1.079 -9.609 8.659 1.00 0.00 C ATOM 1908 C LYS A 116 1.584 -8.211 9.022 1.00 0.00 C ATOM 1909 O LYS A 116 1.157 -7.633 10.021 1.00 0.00 O ATOM 1910 CB LYS A 116 0.382 -10.330 9.814 1.00 0.00 C ATOM 1911 CG LYS A 116 0.852 -9.785 11.164 1.00 0.00 C ATOM 1912 CD LYS A 116 0.915 -10.898 12.213 1.00 0.00 C ATOM 1913 CE LYS A 116 -0.287 -10.831 13.156 1.00 0.00 C ATOM 1914 NZ LYS A 116 -0.095 -11.741 14.307 1.00 0.00 N ATOM 0 H LYS A 116 2.158 -10.590 7.153 1.00 0.00 H new ATOM 0 HA LYS A 116 0.319 -9.484 7.888 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -0.698 -10.208 9.725 1.00 0.00 H new ATOM 0 HB3 LYS A 116 0.588 -11.399 9.758 1.00 0.00 H new ATOM 0 HG2 LYS A 116 1.836 -9.329 11.053 1.00 0.00 H new ATOM 0 HG3 LYS A 116 0.173 -9.001 11.500 1.00 0.00 H new ATOM 0 HD2 LYS A 116 0.939 -11.869 11.718 1.00 0.00 H new ATOM 0 HD3 LYS A 116 1.837 -10.810 12.787 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -0.421 -9.809 13.511 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -1.195 -11.103 12.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -0.920 -11.683 14.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 0.011 -12.717 13.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 0.760 -11.463 14.830 1.00 0.00 H new ATOM 1928 N LEU A 117 2.485 -7.707 8.191 1.00 0.00 N ATOM 1929 CA LEU A 117 3.052 -6.388 8.413 1.00 0.00 C ATOM 1930 C LEU A 117 2.506 -5.420 7.361 1.00 0.00 C ATOM 1931 O LEU A 117 2.735 -5.603 6.166 1.00 0.00 O ATOM 1932 CB LEU A 117 4.580 -6.461 8.447 1.00 0.00 C ATOM 1933 CG LEU A 117 5.239 -6.092 9.778 1.00 0.00 C ATOM 1934 CD1 LEU A 117 6.602 -6.772 9.922 1.00 0.00 C ATOM 1935 CD2 LEU A 117 5.335 -4.574 9.941 1.00 0.00 C ATOM 0 H LEU A 117 2.836 -8.188 7.363 1.00 0.00 H new ATOM 0 HA LEU A 117 2.752 -6.003 9.388 1.00 0.00 H new ATOM 0 HB2 LEU A 117 4.882 -7.475 8.184 1.00 0.00 H new ATOM 0 HB3 LEU A 117 4.973 -5.800 7.674 1.00 0.00 H new ATOM 0 HG LEU A 117 4.608 -6.462 10.586 1.00 0.00 H new ATOM 0 HD11 LEU A 117 7.049 -6.493 10.876 1.00 0.00 H new ATOM 0 HD12 LEU A 117 6.475 -7.854 9.883 1.00 0.00 H new ATOM 0 HD13 LEU A 117 7.255 -6.454 9.109 1.00 0.00 H new ATOM 0 HD21 LEU A 117 5.807 -4.340 10.895 1.00 0.00 H new ATOM 0 HD22 LEU A 117 5.931 -4.158 9.129 1.00 0.00 H new ATOM 0 HD23 LEU A 117 4.335 -4.141 9.915 1.00 0.00 H new ATOM 1947 N VAL A 118 1.795 -4.411 7.843 1.00 0.00 N ATOM 1948 CA VAL A 118 1.215 -3.415 6.960 1.00 0.00 C ATOM 1949 C VAL A 118 1.637 -2.019 7.425 1.00 0.00 C ATOM 1950 O VAL A 118 1.959 -1.823 8.596 1.00 0.00 O ATOM 1951 CB VAL A 118 -0.303 -3.590 6.898 1.00 0.00 C ATOM 1952 CG1 VAL A 118 -0.970 -2.375 6.250 1.00 0.00 C ATOM 1953 CG2 VAL A 118 -0.676 -4.878 6.160 1.00 0.00 C ATOM 0 H VAL A 118 1.608 -4.262 8.835 1.00 0.00 H new ATOM 0 HA VAL A 118 1.585 -3.545 5.943 1.00 0.00 H new ATOM 0 HB VAL A 118 -0.673 -3.669 7.920 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -2.049 -2.526 6.219 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -0.745 -1.482 6.834 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -0.592 -2.250 5.235 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -1.761 -4.979 6.130 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -0.287 -4.840 5.143 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -0.246 -5.733 6.681 1.00 0.00 H new ATOM 1963 N GLY A 119 1.622 -1.087 6.484 1.00 0.00 N ATOM 1964 CA GLY A 119 1.999 0.284 6.783 1.00 0.00 C ATOM 1965 C GLY A 119 1.763 1.194 5.576 1.00 0.00 C ATOM 1966 O GLY A 119 2.417 1.046 4.545 1.00 0.00 O ATOM 0 H GLY A 119 1.355 -1.254 5.514 1.00 0.00 H new ATOM 0 HA2 GLY A 119 1.422 0.646 7.634 1.00 0.00 H new ATOM 0 HA3 GLY A 119 3.050 0.321 7.071 1.00 0.00 H new ATOM 1970 N ASN A 120 0.825 2.115 5.744 1.00 0.00 N ATOM 1971 CA ASN A 120 0.494 3.048 4.680 1.00 0.00 C ATOM 1972 C ASN A 120 1.657 4.023 4.483 1.00 0.00 C ATOM 1973 O ASN A 120 1.706 5.074 5.120 1.00 0.00 O ATOM 1974 CB ASN A 120 -0.752 3.864 5.031 1.00 0.00 C ATOM 1975 CG ASN A 120 -2.022 3.154 4.561 1.00 0.00 C ATOM 1976 OD1 ASN A 120 -2.862 3.717 3.878 1.00 0.00 O ATOM 1977 ND2 ASN A 120 -2.116 1.889 4.962 1.00 0.00 N ATOM 0 H ASN A 120 0.284 2.235 6.600 1.00 0.00 H new ATOM 0 HA ASN A 120 0.305 2.473 3.774 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -0.797 4.021 6.109 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -0.689 4.849 4.568 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -2.927 1.330 4.699 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -1.377 1.479 5.532 1.00 0.00 H new ATOM 1984 N GLU A 121 2.566 3.639 3.598 1.00 0.00 N ATOM 1985 CA GLU A 121 3.725 4.466 3.309 1.00 0.00 C ATOM 1986 C GLU A 121 4.750 3.676 2.493 1.00 0.00 C ATOM 1987 O GLU A 121 4.869 2.461 2.648 1.00 0.00 O ATOM 1988 CB GLU A 121 4.348 5.006 4.598 1.00 0.00 C ATOM 1989 CG GLU A 121 4.392 6.536 4.586 1.00 0.00 C ATOM 1990 CD GLU A 121 5.728 7.050 5.126 1.00 0.00 C ATOM 1991 OE1 GLU A 121 6.663 7.170 4.305 1.00 0.00 O ATOM 1992 OE2 GLU A 121 5.784 7.311 6.346 1.00 0.00 O ATOM 0 H GLU A 121 2.523 2.766 3.072 1.00 0.00 H new ATOM 0 HA GLU A 121 3.399 5.321 2.716 1.00 0.00 H new ATOM 0 HB2 GLU A 121 3.772 4.662 5.457 1.00 0.00 H new ATOM 0 HB3 GLU A 121 5.357 4.610 4.712 1.00 0.00 H new ATOM 0 HG2 GLU A 121 4.242 6.900 3.569 1.00 0.00 H new ATOM 0 HG3 GLU A 121 3.575 6.932 5.190 1.00 0.00 H new ATOM 1999 N PRO A 122 5.484 4.416 1.620 1.00 0.00 N ATOM 2000 CA PRO A 122 6.496 3.798 0.780 1.00 0.00 C ATOM 2001 C PRO A 122 7.746 3.452 1.591 1.00 0.00 C ATOM 2002 O PRO A 122 8.517 2.575 1.207 1.00 0.00 O ATOM 2003 CB PRO A 122 6.763 4.809 -0.323 1.00 0.00 C ATOM 2004 CG PRO A 122 6.240 6.139 0.196 1.00 0.00 C ATOM 2005 CD PRO A 122 5.371 5.856 1.410 1.00 0.00 C ATOM 0 HA PRO A 122 6.170 2.847 0.359 1.00 0.00 H new ATOM 0 HB2 PRO A 122 7.828 4.869 -0.549 1.00 0.00 H new ATOM 0 HB3 PRO A 122 6.257 4.523 -1.245 1.00 0.00 H new ATOM 0 HG2 PRO A 122 7.067 6.796 0.464 1.00 0.00 H new ATOM 0 HG3 PRO A 122 5.664 6.650 -0.575 1.00 0.00 H new ATOM 0 HD2 PRO A 122 5.716 6.411 2.282 1.00 0.00 H new ATOM 0 HD3 PRO A 122 4.336 6.150 1.234 1.00 0.00 H new ATOM 2013 N ALA A 123 7.908 4.161 2.699 1.00 0.00 N ATOM 2014 CA ALA A 123 9.052 3.941 3.568 1.00 0.00 C ATOM 2015 C ALA A 123 8.841 2.651 4.364 1.00 0.00 C ATOM 2016 O ALA A 123 9.804 2.005 4.772 1.00 0.00 O ATOM 2017 CB ALA A 123 9.248 5.159 4.472 1.00 0.00 C ATOM 0 H ALA A 123 7.266 4.888 3.015 1.00 0.00 H new ATOM 0 HA ALA A 123 9.963 3.821 2.981 1.00 0.00 H new ATOM 0 HB1 ALA A 123 10.106 4.994 5.124 1.00 0.00 H new ATOM 0 HB2 ALA A 123 9.423 6.043 3.859 1.00 0.00 H new ATOM 0 HB3 ALA A 123 8.355 5.309 5.079 1.00 0.00 H new ATOM 2023 N ASP A 124 7.574 2.315 4.561 1.00 0.00 N ATOM 2024 CA ASP A 124 7.224 1.115 5.301 1.00 0.00 C ATOM 2025 C ASP A 124 7.929 -0.089 4.673 1.00 0.00 C ATOM 2026 O ASP A 124 8.298 -1.032 5.372 1.00 0.00 O ATOM 2027 CB ASP A 124 5.717 0.858 5.253 1.00 0.00 C ATOM 2028 CG ASP A 124 4.863 1.879 6.007 1.00 0.00 C ATOM 2029 OD1 ASP A 124 5.028 1.955 7.244 1.00 0.00 O ATOM 2030 OD2 ASP A 124 4.064 2.562 5.330 1.00 0.00 O ATOM 0 H ASP A 124 6.777 2.853 4.221 1.00 0.00 H new ATOM 0 HA ASP A 124 7.533 1.255 6.337 1.00 0.00 H new ATOM 0 HB2 ASP A 124 5.400 0.840 4.210 1.00 0.00 H new ATOM 0 HB3 ASP A 124 5.519 -0.132 5.663 1.00 0.00 H new ATOM 2035 N ILE A 125 8.095 -0.019 3.360 1.00 0.00 N ATOM 2036 CA ILE A 125 8.749 -1.092 2.630 1.00 0.00 C ATOM 2037 C ILE A 125 10.251 -1.062 2.924 1.00 0.00 C ATOM 2038 O ILE A 125 10.805 -2.031 3.441 1.00 0.00 O ATOM 2039 CB ILE A 125 8.413 -1.008 1.140 1.00 0.00 C ATOM 2040 CG1 ILE A 125 7.450 -2.125 0.732 1.00 0.00 C ATOM 2041 CG2 ILE A 125 9.685 -1.010 0.290 1.00 0.00 C ATOM 2042 CD1 ILE A 125 7.584 -2.448 -0.758 1.00 0.00 C ATOM 0 H ILE A 125 7.788 0.764 2.783 1.00 0.00 H new ATOM 0 HA ILE A 125 8.378 -2.061 2.963 1.00 0.00 H new ATOM 0 HB ILE A 125 7.905 -0.061 0.957 1.00 0.00 H new ATOM 0 HG12 ILE A 125 7.654 -3.019 1.321 1.00 0.00 H new ATOM 0 HG13 ILE A 125 6.425 -1.825 0.952 1.00 0.00 H new ATOM 0 HG21 ILE A 125 9.418 -0.950 -0.765 1.00 0.00 H new ATOM 0 HG22 ILE A 125 10.303 -0.153 0.558 1.00 0.00 H new ATOM 0 HG23 ILE A 125 10.242 -1.929 0.471 1.00 0.00 H new ATOM 0 HD11 ILE A 125 6.889 -3.245 -1.021 1.00 0.00 H new ATOM 0 HD12 ILE A 125 7.356 -1.558 -1.345 1.00 0.00 H new ATOM 0 HD13 ILE A 125 8.603 -2.771 -0.970 1.00 0.00 H new ATOM 2054 N ASP A 126 10.866 0.061 2.583 1.00 0.00 N ATOM 2055 CA ASP A 126 12.292 0.229 2.804 1.00 0.00 C ATOM 2056 C ASP A 126 12.632 -0.174 4.240 1.00 0.00 C ATOM 2057 O ASP A 126 13.617 -0.874 4.475 1.00 0.00 O ATOM 2058 CB ASP A 126 12.710 1.688 2.612 1.00 0.00 C ATOM 2059 CG ASP A 126 13.865 2.153 3.502 1.00 0.00 C ATOM 2060 OD1 ASP A 126 14.732 1.302 3.797 1.00 0.00 O ATOM 2061 OD2 ASP A 126 13.855 3.349 3.866 1.00 0.00 O ATOM 0 H ASP A 126 10.403 0.863 2.155 1.00 0.00 H new ATOM 0 HA ASP A 126 12.821 -0.396 2.085 1.00 0.00 H new ATOM 0 HB2 ASP A 126 12.993 1.835 1.570 1.00 0.00 H new ATOM 0 HB3 ASP A 126 11.846 2.325 2.801 1.00 0.00 H new ATOM 2066 N LYS A 127 11.799 0.283 5.163 1.00 0.00 N ATOM 2067 CA LYS A 127 12.000 -0.022 6.569 1.00 0.00 C ATOM 2068 C LYS A 127 11.929 -1.536 6.773 1.00 0.00 C ATOM 2069 O LYS A 127 12.835 -2.130 7.356 1.00 0.00 O ATOM 2070 CB LYS A 127 11.010 0.762 7.434 1.00 0.00 C ATOM 2071 CG LYS A 127 11.601 2.108 7.861 1.00 0.00 C ATOM 2072 CD LYS A 127 12.412 2.735 6.726 1.00 0.00 C ATOM 2073 CE LYS A 127 12.271 4.259 6.729 1.00 0.00 C ATOM 2074 NZ LYS A 127 13.313 4.874 7.580 1.00 0.00 N ATOM 0 H LYS A 127 10.983 0.862 4.965 1.00 0.00 H new ATOM 0 HA LYS A 127 12.991 0.297 6.890 1.00 0.00 H new ATOM 0 HB2 LYS A 127 10.087 0.926 6.878 1.00 0.00 H new ATOM 0 HB3 LYS A 127 10.751 0.178 8.317 1.00 0.00 H new ATOM 0 HG2 LYS A 127 10.799 2.784 8.156 1.00 0.00 H new ATOM 0 HG3 LYS A 127 12.238 1.969 8.734 1.00 0.00 H new ATOM 0 HD2 LYS A 127 13.462 2.463 6.831 1.00 0.00 H new ATOM 0 HD3 LYS A 127 12.074 2.337 5.769 1.00 0.00 H new ATOM 0 HE2 LYS A 127 12.353 4.640 5.711 1.00 0.00 H new ATOM 0 HE3 LYS A 127 11.283 4.538 7.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 13.203 5.908 7.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 13.216 4.524 8.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 14.253 4.623 7.214 1.00 0.00 H new ATOM 2088 N TYR A 128 10.845 -2.118 6.282 1.00 0.00 N ATOM 2089 CA TYR A 128 10.644 -3.552 6.404 1.00 0.00 C ATOM 2090 C TYR A 128 11.388 -4.304 5.299 1.00 0.00 C ATOM 2091 O TYR A 128 12.403 -4.950 5.557 1.00 0.00 O ATOM 2092 CB TYR A 128 9.141 -3.783 6.238 1.00 0.00 C ATOM 2093 CG TYR A 128 8.669 -5.163 6.699 1.00 0.00 C ATOM 2094 CD1 TYR A 128 9.534 -5.996 7.381 1.00 0.00 C ATOM 2095 CD2 TYR A 128 7.379 -5.576 6.434 1.00 0.00 C ATOM 2096 CE1 TYR A 128 9.090 -7.295 7.815 1.00 0.00 C ATOM 2097 CE2 TYR A 128 6.935 -6.875 6.869 1.00 0.00 C ATOM 2098 CZ TYR A 128 7.812 -7.670 7.537 1.00 0.00 C ATOM 2099 OH TYR A 128 7.393 -8.897 7.947 1.00 0.00 O ATOM 0 H TYR A 128 10.096 -1.622 5.799 1.00 0.00 H new ATOM 0 HA TYR A 128 11.019 -3.912 7.362 1.00 0.00 H new ATOM 0 HB2 TYR A 128 8.602 -3.020 6.800 1.00 0.00 H new ATOM 0 HB3 TYR A 128 8.877 -3.652 5.188 1.00 0.00 H new ATOM 0 HD1 TYR A 128 10.543 -5.673 7.589 1.00 0.00 H new ATOM 0 HD2 TYR A 128 6.702 -4.925 5.900 1.00 0.00 H new ATOM 0 HE1 TYR A 128 9.756 -7.957 8.349 1.00 0.00 H new ATOM 0 HE2 TYR A 128 5.928 -7.210 6.669 1.00 0.00 H new ATOM 0 HH TYR A 128 7.874 -9.151 8.762 1.00 0.00 H new ATOM 2109 N ILE A 129 10.855 -4.197 4.091 1.00 0.00 N ATOM 2110 CA ILE A 129 11.456 -4.860 2.946 1.00 0.00 C ATOM 2111 C ILE A 129 11.584 -3.861 1.793 1.00 0.00 C ATOM 2112 O ILE A 129 10.644 -3.676 1.021 1.00 0.00 O ATOM 2113 CB ILE A 129 10.669 -6.121 2.583 1.00 0.00 C ATOM 2114 CG1 ILE A 129 9.169 -5.828 2.507 1.00 0.00 C ATOM 2115 CG2 ILE A 129 10.982 -7.261 3.553 1.00 0.00 C ATOM 2116 CD1 ILE A 129 8.546 -5.793 3.904 1.00 0.00 C ATOM 0 H ILE A 129 10.013 -3.661 3.880 1.00 0.00 H new ATOM 0 HA ILE A 129 12.463 -5.200 3.188 1.00 0.00 H new ATOM 0 HB ILE A 129 10.984 -6.447 1.592 1.00 0.00 H new ATOM 0 HG12 ILE A 129 9.006 -4.873 2.008 1.00 0.00 H new ATOM 0 HG13 ILE A 129 8.676 -6.590 1.904 1.00 0.00 H new ATOM 0 HG21 ILE A 129 10.410 -8.145 3.272 1.00 0.00 H new ATOM 0 HG22 ILE A 129 12.047 -7.490 3.513 1.00 0.00 H new ATOM 0 HG23 ILE A 129 10.713 -6.961 4.566 1.00 0.00 H new ATOM 0 HD11 ILE A 129 7.480 -5.583 3.822 1.00 0.00 H new ATOM 0 HD12 ILE A 129 8.689 -6.758 4.391 1.00 0.00 H new ATOM 0 HD13 ILE A 129 9.025 -5.013 4.496 1.00 0.00 H new ATOM 2128 N ILE A 130 12.754 -3.245 1.714 1.00 0.00 N ATOM 2129 CA ILE A 130 13.016 -2.270 0.669 1.00 0.00 C ATOM 2130 C ILE A 130 12.908 -2.952 -0.697 1.00 0.00 C ATOM 2131 O ILE A 130 12.367 -4.051 -0.805 1.00 0.00 O ATOM 2132 CB ILE A 130 14.361 -1.579 0.906 1.00 0.00 C ATOM 2133 CG1 ILE A 130 15.462 -2.216 0.057 1.00 0.00 C ATOM 2134 CG2 ILE A 130 14.717 -1.570 2.394 1.00 0.00 C ATOM 2135 CD1 ILE A 130 16.007 -3.481 0.723 1.00 0.00 C ATOM 0 H ILE A 130 13.531 -3.402 2.356 1.00 0.00 H new ATOM 0 HA ILE A 130 12.268 -1.478 0.691 1.00 0.00 H new ATOM 0 HB ILE A 130 14.272 -0.540 0.590 1.00 0.00 H new ATOM 0 HG12 ILE A 130 15.069 -2.461 -0.930 1.00 0.00 H new ATOM 0 HG13 ILE A 130 16.271 -1.501 -0.091 1.00 0.00 H new ATOM 0 HG21 ILE A 130 15.677 -1.073 2.535 1.00 0.00 H new ATOM 0 HG22 ILE A 130 13.946 -1.035 2.949 1.00 0.00 H new ATOM 0 HG23 ILE A 130 14.782 -2.595 2.759 1.00 0.00 H new ATOM 0 HD11 ILE A 130 16.788 -3.913 0.098 1.00 0.00 H new ATOM 0 HD12 ILE A 130 16.421 -3.229 1.699 1.00 0.00 H new ATOM 0 HD13 ILE A 130 15.200 -4.203 0.847 1.00 0.00 H new ATOM 2147 N GLN A 131 13.432 -2.271 -1.706 1.00 0.00 N ATOM 2148 CA GLN A 131 13.401 -2.796 -3.060 1.00 0.00 C ATOM 2149 C GLN A 131 13.935 -4.230 -3.085 1.00 0.00 C ATOM 2150 O GLN A 131 13.701 -4.967 -4.042 1.00 0.00 O ATOM 2151 CB GLN A 131 14.192 -1.900 -4.015 1.00 0.00 C ATOM 2152 CG GLN A 131 15.231 -1.072 -3.255 1.00 0.00 C ATOM 2153 CD GLN A 131 14.646 0.272 -2.815 1.00 0.00 C ATOM 2154 OE1 GLN A 131 14.079 1.017 -3.596 1.00 0.00 O ATOM 2155 NE2 GLN A 131 14.816 0.538 -1.523 1.00 0.00 N ATOM 0 H GLN A 131 13.881 -1.360 -1.612 1.00 0.00 H new ATOM 0 HA GLN A 131 12.366 -2.808 -3.400 1.00 0.00 H new ATOM 0 HB2 GLN A 131 14.689 -2.513 -4.767 1.00 0.00 H new ATOM 0 HB3 GLN A 131 13.510 -1.236 -4.546 1.00 0.00 H new ATOM 0 HG2 GLN A 131 15.575 -1.626 -2.382 1.00 0.00 H new ATOM 0 HG3 GLN A 131 16.102 -0.904 -3.889 1.00 0.00 H new ATOM 0 HE21 GLN A 131 15.301 -0.131 -0.924 1.00 0.00 H new ATOM 0 HE22 GLN A 131 14.462 1.410 -1.131 1.00 0.00 H new ATOM 2164 N ARG A 132 14.644 -4.582 -2.022 1.00 0.00 N ATOM 2165 CA ARG A 132 15.213 -5.914 -1.910 1.00 0.00 C ATOM 2166 C ARG A 132 15.330 -6.319 -0.440 1.00 0.00 C ATOM 2167 O ARG A 132 16.153 -7.164 -0.088 1.00 0.00 O ATOM 2168 CB ARG A 132 16.596 -5.978 -2.561 1.00 0.00 C ATOM 2169 CG ARG A 132 17.487 -4.835 -2.071 1.00 0.00 C ATOM 2170 CD ARG A 132 18.273 -5.247 -0.825 1.00 0.00 C ATOM 2171 NE ARG A 132 19.300 -6.250 -1.184 1.00 0.00 N ATOM 2172 CZ ARG A 132 20.316 -6.604 -0.385 1.00 0.00 C ATOM 2173 NH1 ARG A 132 20.447 -6.038 0.823 1.00 0.00 N ATOM 2174 NH2 ARG A 132 21.202 -7.523 -0.794 1.00 0.00 N ATOM 0 H ARG A 132 14.837 -3.968 -1.231 1.00 0.00 H new ATOM 0 HA ARG A 132 14.547 -6.604 -2.429 1.00 0.00 H new ATOM 0 HB2 ARG A 132 17.066 -6.934 -2.331 1.00 0.00 H new ATOM 0 HB3 ARG A 132 16.494 -5.925 -3.645 1.00 0.00 H new ATOM 0 HG2 ARG A 132 18.179 -4.544 -2.862 1.00 0.00 H new ATOM 0 HG3 ARG A 132 16.874 -3.962 -1.846 1.00 0.00 H new ATOM 0 HD2 ARG A 132 18.747 -4.373 -0.378 1.00 0.00 H new ATOM 0 HD3 ARG A 132 17.596 -5.659 -0.077 1.00 0.00 H new ATOM 0 HE ARG A 132 19.230 -6.700 -2.097 1.00 0.00 H new ATOM 0 HH11 ARG A 132 19.773 -5.338 1.134 1.00 0.00 H new ATOM 0 HH12 ARG A 132 21.220 -6.307 1.431 1.00 0.00 H new ATOM 0 HH21 ARG A 132 21.103 -7.953 -1.714 1.00 0.00 H new ATOM 0 HH22 ARG A 132 21.975 -7.792 -0.186 1.00 0.00 H new ATOM 2188 N LYS A 133 14.495 -5.699 0.381 1.00 0.00 N ATOM 2189 CA LYS A 133 14.495 -5.984 1.805 1.00 0.00 C ATOM 2190 C LYS A 133 15.927 -5.901 2.338 1.00 0.00 C ATOM 2191 O LYS A 133 16.707 -6.839 2.179 1.00 0.00 O ATOM 2192 CB LYS A 133 13.812 -7.325 2.083 1.00 0.00 C ATOM 2193 CG LYS A 133 14.270 -7.907 3.422 1.00 0.00 C ATOM 2194 CD LYS A 133 13.657 -9.289 3.658 1.00 0.00 C ATOM 2195 CE LYS A 133 14.096 -9.860 5.007 1.00 0.00 C ATOM 2196 NZ LYS A 133 13.546 -9.050 6.117 1.00 0.00 N ATOM 0 H LYS A 133 13.813 -5.000 0.086 1.00 0.00 H new ATOM 0 HA LYS A 133 13.911 -5.237 2.343 1.00 0.00 H new ATOM 0 HB2 LYS A 133 12.730 -7.191 2.092 1.00 0.00 H new ATOM 0 HB3 LYS A 133 14.040 -8.027 1.281 1.00 0.00 H new ATOM 0 HG2 LYS A 133 15.357 -7.980 3.438 1.00 0.00 H new ATOM 0 HG3 LYS A 133 13.984 -7.235 4.231 1.00 0.00 H new ATOM 0 HD2 LYS A 133 12.570 -9.219 3.625 1.00 0.00 H new ATOM 0 HD3 LYS A 133 13.957 -9.965 2.858 1.00 0.00 H new ATOM 0 HE2 LYS A 133 13.757 -10.892 5.099 1.00 0.00 H new ATOM 0 HE3 LYS A 133 15.184 -9.876 5.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 13.840 -9.462 7.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 13.904 -8.076 6.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 12.508 -9.043 6.060 1.00 0.00 H new TER 2210 LYS A 133