USER MOD reduce.3.24.130724 H: found=0, std=0, add=955, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 954 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 113 LYS NZ :NH3+ 172:sc= 2.41 (180deg=1.16) USER MOD Set 1.2: A 115 GLN : amide:sc= 1.02 K(o=3.4,f=-4.7) USER MOD Set 2.1: A 13 TYR OH : rot 120:sc= 1.23 USER MOD Set 2.2: A 95 GLN : amide:sc= 1.08 K(o=2.3,f=-3.4!) USER MOD Set 3.1: A 70 LYS NZ :NH3+ -173:sc= 2.96 (180deg=1.75) USER MOD Set 3.2: A 92 GLN : amide:sc= 1.85 K(o=4.8,f=-5.6) USER MOD Set 4.1: A 56 THR OG1 : rot -8:sc= 0.896 USER MOD Set 4.2: A 71 ASN : amide:sc= 1.07 K(o=2,f=0.13) USER MOD Set 5.1: A 49 HIS : no HD1:sc= 0.2 K(o=0.42,f=-0.3) USER MOD Set 5.2: A 51 GLN : amide:sc= 0.224 K(o=0.42,f=-0.3) USER MOD Set 6.1: A 33 GLN : amide:sc= 0.969 K(o=2.2,f=0.24) USER MOD Set 6.2: A 43 SER OG : rot 179:sc= 1.23 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 163:sc= 2.11 (180deg=1.55) USER MOD Single : A 4 SER OG : rot 70:sc= 1 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 1.26 (180deg=1.26) USER MOD Single : A 10 GLN : amide:sc= 0.441 K(o=0.44,f=-0.8) USER MOD Single : A 14 GLN : amide:sc= 0.915 K(o=0.92,f=-1.2) USER MOD Single : A 16 ASN : amide:sc= -0.0194 K(o=-0.019,f=-0.55) USER MOD Single : A 19 LYS NZ :NH3+ -161:sc= 2.24 (180deg=0.83) USER MOD Single : A 20 GLN : amide:sc= 0.673 K(o=0.67,f=-1.1) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 GLN : amide:sc= 0.7 K(o=0.7,f=-0.094) USER MOD Single : A 30 GLN : amide:sc= 0.00628 X(o=0.0063,f=0) USER MOD Single : A 31 SER OG : rot 65:sc= 0.812 USER MOD Single : A 32 LYS NZ :NH3+ 157:sc= 1.36 (180deg=1.23) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 84:sc= 1.28 USER MOD Single : A 41 THR OG1 : rot -13:sc= 0.992 USER MOD Single : A 55 TYR OH : rot 142:sc= 1.21 USER MOD Single : A 57 SER OG : rot 69:sc= 0.416 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0996 USER MOD Single : A 59 GLN : amide:sc= 0.594 K(o=0.59,f=-5.5!) USER MOD Single : A 67 THR OG1 : rot 34:sc= 0.762 USER MOD Single : A 73 THR OG1 : rot -86:sc= 1.06 USER MOD Single : A 78 ASN : amide:sc= 1.44 K(o=1.4,f=-4.6!) USER MOD Single : A 80 GLN : amide:sc= 0.0194 X(o=0.019,f=0) USER MOD Single : A 88 TYR OH : rot 165:sc= 0 USER MOD Single : A 91 SER OG : rot 23:sc= 0.744 USER MOD Single : A 98 LYS NZ :NH3+ 157:sc= 1.11 (180deg=0.839) USER MOD Single : A 102 LYS NZ :NH3+ -154:sc= 3.56 (180deg=2.21) USER MOD Single : A 103 GLN : amide:sc= 0.0678 X(o=0.068,f=0) USER MOD Single : A 107 ASN : amide:sc= 1.38 K(o=1.4,f=-3.1!) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ -168:sc= 1.01 (180deg=0.904) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.361 -16.506 -12.737 1.00 0.00 N ATOM 2 CA MET A 1 3.459 -15.425 -12.242 1.00 0.00 C ATOM 3 C MET A 1 2.147 -16.008 -11.616 1.00 0.00 C ATOM 4 O MET A 1 1.777 -17.152 -11.889 1.00 0.00 O ATOM 5 CB MET A 1 3.128 -14.472 -13.418 1.00 0.00 C ATOM 6 CG MET A 1 4.290 -13.585 -13.888 1.00 0.00 C ATOM 7 SD MET A 1 5.415 -14.476 -14.974 1.00 0.00 S ATOM 8 CE MET A 1 6.599 -13.162 -15.307 1.00 0.00 C ATOM 0 H1 MET A 1 5.063 -16.101 -13.388 1.00 0.00 H new ATOM 0 H2 MET A 1 4.849 -16.947 -11.931 1.00 0.00 H new ATOM 0 H3 MET A 1 3.800 -17.225 -13.237 1.00 0.00 H new ATOM 0 HA MET A 1 3.970 -14.875 -11.452 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.783 -15.069 -14.262 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.299 -13.830 -13.122 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.894 -12.714 -14.410 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.838 -13.215 -13.022 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.379 -13.535 -15.971 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.088 -12.324 -15.781 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.048 -12.831 -14.371 1.00 0.00 H new ATOM 20 N ALA A 2 1.429 -15.206 -10.811 1.00 0.00 N ATOM 21 CA ALA A 2 0.098 -15.592 -10.268 1.00 0.00 C ATOM 22 C ALA A 2 -0.969 -15.789 -11.387 1.00 0.00 C ATOM 23 O ALA A 2 -1.318 -14.849 -12.113 1.00 0.00 O ATOM 24 CB ALA A 2 -0.319 -14.496 -9.277 1.00 0.00 C ATOM 0 H ALA A 2 1.743 -14.281 -10.516 1.00 0.00 H new ATOM 0 HA ALA A 2 0.169 -16.558 -9.769 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -1.293 -14.740 -8.854 1.00 0.00 H new ATOM 0 HB2 ALA A 2 0.418 -14.429 -8.477 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -0.378 -13.539 -9.796 1.00 0.00 H new ATOM 30 N GLY A 3 -1.394 -17.043 -11.577 1.00 0.00 N ATOM 31 CA GLY A 3 -2.149 -17.459 -12.778 1.00 0.00 C ATOM 32 C GLY A 3 -1.318 -18.167 -13.863 1.00 0.00 C ATOM 33 O GLY A 3 -1.609 -19.310 -14.212 1.00 0.00 O ATOM 0 H GLY A 3 -1.229 -17.798 -10.911 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -2.955 -18.125 -12.468 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -2.615 -16.577 -13.218 1.00 0.00 H new ATOM 37 N SER A 4 -0.323 -17.464 -14.426 1.00 0.00 N ATOM 38 CA SER A 4 0.570 -18.038 -15.471 1.00 0.00 C ATOM 39 C SER A 4 1.833 -18.707 -14.855 1.00 0.00 C ATOM 40 O SER A 4 2.808 -18.039 -14.487 1.00 0.00 O ATOM 41 CB SER A 4 0.917 -16.915 -16.474 1.00 0.00 C ATOM 42 OG SER A 4 -0.276 -16.446 -17.106 1.00 0.00 O ATOM 0 H SER A 4 -0.108 -16.497 -14.182 1.00 0.00 H new ATOM 0 HA SER A 4 0.056 -18.841 -15.999 1.00 0.00 H new ATOM 0 HB2 SER A 4 1.413 -16.093 -15.957 1.00 0.00 H new ATOM 0 HB3 SER A 4 1.615 -17.287 -17.224 1.00 0.00 H new ATOM 0 HG SER A 4 -0.820 -15.955 -16.455 1.00 0.00 H new ATOM 48 N GLY A 5 1.768 -20.038 -14.729 1.00 0.00 N ATOM 49 CA GLY A 5 2.743 -20.832 -13.952 1.00 0.00 C ATOM 50 C GLY A 5 2.084 -21.407 -12.692 1.00 0.00 C ATOM 51 O GLY A 5 1.475 -22.478 -12.745 1.00 0.00 O ATOM 0 H GLY A 5 1.037 -20.602 -15.163 1.00 0.00 H new ATOM 0 HA2 GLY A 5 3.134 -21.642 -14.567 1.00 0.00 H new ATOM 0 HA3 GLY A 5 3.591 -20.206 -13.673 1.00 0.00 H new ATOM 55 N ILE A 6 2.149 -20.665 -11.582 1.00 0.00 N ATOM 56 CA ILE A 6 1.386 -20.985 -10.350 1.00 0.00 C ATOM 57 C ILE A 6 -0.104 -20.519 -10.471 1.00 0.00 C ATOM 58 O ILE A 6 -0.477 -19.393 -10.130 1.00 0.00 O ATOM 59 CB ILE A 6 2.105 -20.507 -9.042 1.00 0.00 C ATOM 60 CG1 ILE A 6 2.465 -19.015 -8.887 1.00 0.00 C ATOM 61 CG2 ILE A 6 3.316 -21.420 -8.733 1.00 0.00 C ATOM 62 CD1 ILE A 6 3.724 -18.477 -9.560 1.00 0.00 C ATOM 0 H ILE A 6 2.726 -19.828 -11.502 1.00 0.00 H new ATOM 0 HA ILE A 6 1.358 -22.070 -10.253 1.00 0.00 H new ATOM 0 HB ILE A 6 1.322 -20.609 -8.291 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.621 -18.434 -9.259 1.00 0.00 H new ATOM 0 HG13 ILE A 6 2.550 -18.807 -7.820 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.807 -21.077 -7.822 1.00 0.00 H new ATOM 0 HG22 ILE A 6 2.973 -22.446 -8.597 1.00 0.00 H new ATOM 0 HG23 ILE A 6 4.022 -21.381 -9.562 1.00 0.00 H new ATOM 0 HD11 ILE A 6 3.823 -17.412 -9.348 1.00 0.00 H new ATOM 0 HD12 ILE A 6 4.596 -19.006 -9.176 1.00 0.00 H new ATOM 0 HD13 ILE A 6 3.653 -18.627 -10.637 1.00 0.00 H new ATOM 74 N ILE A 7 -0.950 -21.433 -10.969 1.00 0.00 N ATOM 75 CA ILE A 7 -2.429 -21.230 -11.079 1.00 0.00 C ATOM 76 C ILE A 7 -3.169 -21.510 -9.734 1.00 0.00 C ATOM 77 O ILE A 7 -3.846 -22.525 -9.554 1.00 0.00 O ATOM 78 CB ILE A 7 -2.960 -21.993 -12.338 1.00 0.00 C ATOM 79 CG1 ILE A 7 -4.461 -21.748 -12.663 1.00 0.00 C ATOM 80 CG2 ILE A 7 -2.739 -23.528 -12.322 1.00 0.00 C ATOM 81 CD1 ILE A 7 -4.854 -20.297 -12.924 1.00 0.00 C ATOM 0 H ILE A 7 -0.641 -22.342 -11.312 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.658 -20.178 -11.251 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.339 -21.550 -13.117 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -4.725 -22.340 -13.539 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -5.059 -22.123 -11.833 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -3.141 -23.963 -13.237 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -1.672 -23.741 -12.258 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -3.248 -23.960 -11.460 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -5.921 -20.242 -13.140 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -4.631 -19.695 -12.043 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -4.291 -19.915 -13.776 1.00 0.00 H new ATOM 93 N TYR A 8 -3.008 -20.585 -8.777 1.00 0.00 N ATOM 94 CA TYR A 8 -3.419 -20.790 -7.368 1.00 0.00 C ATOM 95 C TYR A 8 -3.791 -19.419 -6.693 1.00 0.00 C ATOM 96 O TYR A 8 -3.428 -18.333 -7.155 1.00 0.00 O ATOM 97 CB TYR A 8 -2.262 -21.462 -6.554 1.00 0.00 C ATOM 98 CG TYR A 8 -1.942 -22.918 -6.918 1.00 0.00 C ATOM 99 CD1 TYR A 8 -2.799 -23.962 -6.540 1.00 0.00 C ATOM 100 CD2 TYR A 8 -0.789 -23.227 -7.657 1.00 0.00 C ATOM 101 CE1 TYR A 8 -2.518 -25.282 -6.907 1.00 0.00 C ATOM 102 CE2 TYR A 8 -0.511 -24.544 -8.024 1.00 0.00 C ATOM 103 CZ TYR A 8 -1.375 -25.571 -7.650 1.00 0.00 C ATOM 104 OH TYR A 8 -1.098 -26.853 -8.017 1.00 0.00 O ATOM 0 H TYR A 8 -2.590 -19.671 -8.951 1.00 0.00 H new ATOM 0 HA TYR A 8 -4.293 -21.441 -7.366 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -1.358 -20.868 -6.687 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -2.518 -21.421 -5.495 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -3.684 -23.745 -5.960 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -0.110 -22.437 -7.944 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -3.187 -26.078 -6.614 1.00 0.00 H new ATOM 0 HE2 TYR A 8 0.375 -24.768 -8.599 1.00 0.00 H new ATOM 0 HH TYR A 8 -0.264 -26.873 -8.531 1.00 0.00 H new ATOM 114 N LYS A 9 -4.454 -19.508 -5.530 1.00 0.00 N ATOM 115 CA LYS A 9 -4.311 -18.468 -4.463 1.00 0.00 C ATOM 116 C LYS A 9 -3.154 -18.938 -3.525 1.00 0.00 C ATOM 117 O LYS A 9 -3.327 -19.834 -2.693 1.00 0.00 O ATOM 118 CB LYS A 9 -5.684 -18.320 -3.777 1.00 0.00 C ATOM 119 CG LYS A 9 -5.876 -17.111 -2.840 1.00 0.00 C ATOM 120 CD LYS A 9 -5.191 -17.218 -1.466 1.00 0.00 C ATOM 121 CE LYS A 9 -3.936 -16.343 -1.339 1.00 0.00 C ATOM 122 NZ LYS A 9 -3.167 -16.747 -0.132 1.00 0.00 N ATOM 0 H LYS A 9 -5.088 -20.271 -5.293 1.00 0.00 H new ATOM 0 HA LYS A 9 -4.041 -17.477 -4.829 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -6.446 -18.270 -4.554 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -5.874 -19.226 -3.202 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -5.501 -16.220 -3.344 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -6.944 -16.962 -2.683 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -5.903 -16.934 -0.691 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -4.920 -18.258 -1.284 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -3.316 -16.447 -2.229 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -4.218 -15.293 -1.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -2.317 -16.154 -0.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -3.760 -16.626 0.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -2.886 -17.745 -0.218 1.00 0.00 H new ATOM 136 N GLN A 10 -1.964 -18.366 -3.718 1.00 0.00 N ATOM 137 CA GLN A 10 -0.695 -18.914 -3.175 1.00 0.00 C ATOM 138 C GLN A 10 -0.201 -18.159 -1.901 1.00 0.00 C ATOM 139 O GLN A 10 -0.132 -16.930 -1.955 1.00 0.00 O ATOM 140 CB GLN A 10 0.409 -18.976 -4.270 1.00 0.00 C ATOM 141 CG GLN A 10 0.647 -17.750 -5.182 1.00 0.00 C ATOM 142 CD GLN A 10 -0.217 -17.733 -6.439 1.00 0.00 C ATOM 143 OE1 GLN A 10 -0.236 -18.676 -7.222 1.00 0.00 O ATOM 144 NE2 GLN A 10 -0.980 -16.701 -6.687 1.00 0.00 N ATOM 0 H GLN A 10 -1.841 -17.508 -4.255 1.00 0.00 H new ATOM 0 HA GLN A 10 -0.910 -19.934 -2.857 1.00 0.00 H new ATOM 0 HB2 GLN A 10 1.352 -19.200 -3.771 1.00 0.00 H new ATOM 0 HB3 GLN A 10 0.181 -19.824 -4.916 1.00 0.00 H new ATOM 0 HG2 GLN A 10 0.455 -16.842 -4.610 1.00 0.00 H new ATOM 0 HG3 GLN A 10 1.697 -17.727 -5.475 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -0.982 -15.904 -6.051 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -1.573 -16.693 -7.517 1.00 0.00 H new ATOM 153 N PRO A 11 0.178 -18.793 -0.754 1.00 0.00 N ATOM 154 CA PRO A 11 0.695 -18.048 0.449 1.00 0.00 C ATOM 155 C PRO A 11 2.162 -17.549 0.309 1.00 0.00 C ATOM 156 O PRO A 11 3.111 -18.143 0.828 1.00 0.00 O ATOM 157 CB PRO A 11 0.469 -19.094 1.572 1.00 0.00 C ATOM 158 CG PRO A 11 0.672 -20.458 0.873 1.00 0.00 C ATOM 159 CD PRO A 11 0.068 -20.251 -0.526 1.00 0.00 C ATOM 0 HA PRO A 11 0.188 -17.101 0.633 1.00 0.00 H new ATOM 0 HB2 PRO A 11 1.176 -18.958 2.390 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.531 -19.010 1.998 1.00 0.00 H new ATOM 0 HG2 PRO A 11 1.727 -20.725 0.817 1.00 0.00 H new ATOM 0 HG3 PRO A 11 0.168 -21.261 1.411 1.00 0.00 H new ATOM 0 HD2 PRO A 11 0.613 -20.815 -1.283 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -0.969 -20.584 -0.566 1.00 0.00 H new ATOM 167 N ILE A 12 2.324 -16.434 -0.410 1.00 0.00 N ATOM 168 CA ILE A 12 3.648 -15.874 -0.796 1.00 0.00 C ATOM 169 C ILE A 12 3.440 -14.354 -1.055 1.00 0.00 C ATOM 170 O ILE A 12 2.607 -13.940 -1.869 1.00 0.00 O ATOM 171 CB ILE A 12 4.294 -16.672 -1.974 1.00 0.00 C ATOM 172 CG1 ILE A 12 5.824 -16.491 -2.121 1.00 0.00 C ATOM 173 CG2 ILE A 12 3.568 -16.570 -3.323 1.00 0.00 C ATOM 174 CD1 ILE A 12 6.361 -15.184 -2.693 1.00 0.00 C ATOM 0 H ILE A 12 1.538 -15.880 -0.750 1.00 0.00 H new ATOM 0 HA ILE A 12 4.383 -15.983 0.001 1.00 0.00 H new ATOM 0 HB ILE A 12 4.142 -17.701 -1.648 1.00 0.00 H new ATOM 0 HG12 ILE A 12 6.268 -16.626 -1.135 1.00 0.00 H new ATOM 0 HG13 ILE A 12 6.193 -17.302 -2.750 1.00 0.00 H new ATOM 0 HG21 ILE A 12 4.101 -17.161 -4.068 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.551 -16.949 -3.219 1.00 0.00 H new ATOM 0 HG23 ILE A 12 3.536 -15.528 -3.641 1.00 0.00 H new ATOM 0 HD11 ILE A 12 7.450 -15.222 -2.728 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.971 -15.040 -3.700 1.00 0.00 H new ATOM 0 HD13 ILE A 12 6.047 -14.354 -2.060 1.00 0.00 H new ATOM 186 N TYR A 13 4.220 -13.530 -0.353 1.00 0.00 N ATOM 187 CA TYR A 13 4.167 -12.056 -0.472 1.00 0.00 C ATOM 188 C TYR A 13 4.621 -11.537 -1.889 1.00 0.00 C ATOM 189 O TYR A 13 5.816 -11.434 -2.182 1.00 0.00 O ATOM 190 CB TYR A 13 5.072 -11.391 0.599 1.00 0.00 C ATOM 191 CG TYR A 13 4.682 -11.547 2.066 1.00 0.00 C ATOM 192 CD1 TYR A 13 3.687 -10.731 2.615 1.00 0.00 C ATOM 193 CD2 TYR A 13 5.375 -12.427 2.913 1.00 0.00 C ATOM 194 CE1 TYR A 13 3.407 -10.766 3.979 1.00 0.00 C ATOM 195 CE2 TYR A 13 5.072 -12.485 4.276 1.00 0.00 C ATOM 196 CZ TYR A 13 4.090 -11.650 4.808 1.00 0.00 C ATOM 197 OH TYR A 13 3.717 -11.777 6.110 1.00 0.00 O ATOM 0 H TYR A 13 4.912 -13.859 0.320 1.00 0.00 H new ATOM 0 HA TYR A 13 3.123 -11.782 -0.324 1.00 0.00 H new ATOM 0 HB2 TYR A 13 6.080 -11.789 0.478 1.00 0.00 H new ATOM 0 HB3 TYR A 13 5.121 -10.325 0.379 1.00 0.00 H new ATOM 0 HD1 TYR A 13 3.129 -10.066 1.973 1.00 0.00 H new ATOM 0 HD2 TYR A 13 6.148 -13.064 2.508 1.00 0.00 H new ATOM 0 HE1 TYR A 13 2.659 -10.106 4.393 1.00 0.00 H new ATOM 0 HE2 TYR A 13 5.598 -13.176 4.917 1.00 0.00 H new ATOM 0 HH TYR A 13 3.450 -12.704 6.285 1.00 0.00 H new ATOM 207 N GLN A 14 3.634 -11.213 -2.735 1.00 0.00 N ATOM 208 CA GLN A 14 3.891 -10.659 -4.088 1.00 0.00 C ATOM 209 C GLN A 14 4.190 -9.132 -4.123 1.00 0.00 C ATOM 210 O GLN A 14 5.327 -8.747 -4.409 1.00 0.00 O ATOM 211 CB GLN A 14 2.859 -11.194 -5.106 1.00 0.00 C ATOM 212 CG GLN A 14 1.359 -10.908 -4.908 1.00 0.00 C ATOM 213 CD GLN A 14 0.586 -10.854 -6.223 1.00 0.00 C ATOM 214 OE1 GLN A 14 0.601 -9.841 -6.912 1.00 0.00 O ATOM 215 NE2 GLN A 14 -0.106 -11.887 -6.636 1.00 0.00 N ATOM 0 H GLN A 14 2.644 -11.322 -2.513 1.00 0.00 H new ATOM 0 HA GLN A 14 4.851 -11.046 -4.429 1.00 0.00 H new ATOM 0 HB2 GLN A 14 3.137 -10.802 -6.085 1.00 0.00 H new ATOM 0 HB3 GLN A 14 2.979 -12.276 -5.150 1.00 0.00 H new ATOM 0 HG2 GLN A 14 0.928 -11.680 -4.271 1.00 0.00 H new ATOM 0 HG3 GLN A 14 1.241 -9.960 -4.384 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -0.132 -12.740 -6.077 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -0.619 -11.838 -7.516 1.00 0.00 H new ATOM 224 N GLY A 15 3.217 -8.269 -3.802 1.00 0.00 N ATOM 225 CA GLY A 15 3.433 -6.799 -3.732 1.00 0.00 C ATOM 226 C GLY A 15 3.908 -6.287 -2.360 1.00 0.00 C ATOM 227 O GLY A 15 3.139 -5.674 -1.617 1.00 0.00 O ATOM 0 H GLY A 15 2.263 -8.556 -3.584 1.00 0.00 H new ATOM 0 HA2 GLY A 15 4.168 -6.517 -4.485 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.502 -6.295 -3.991 1.00 0.00 H new ATOM 231 N ASN A 16 5.187 -6.548 -2.058 1.00 0.00 N ATOM 232 CA ASN A 16 5.723 -6.510 -0.668 1.00 0.00 C ATOM 233 C ASN A 16 5.643 -5.168 0.133 1.00 0.00 C ATOM 234 O ASN A 16 5.426 -5.217 1.348 1.00 0.00 O ATOM 235 CB ASN A 16 7.204 -6.997 -0.696 1.00 0.00 C ATOM 236 CG ASN A 16 7.371 -8.504 -0.800 1.00 0.00 C ATOM 237 OD1 ASN A 16 7.338 -9.209 0.201 1.00 0.00 O ATOM 238 ND2 ASN A 16 7.543 -9.050 -1.980 1.00 0.00 N ATOM 0 H ASN A 16 5.886 -6.792 -2.759 1.00 0.00 H new ATOM 0 HA ASN A 16 5.046 -7.163 -0.117 1.00 0.00 H new ATOM 0 HB2 ASN A 16 7.711 -6.529 -1.540 1.00 0.00 H new ATOM 0 HB3 ASN A 16 7.704 -6.650 0.208 1.00 0.00 H new ATOM 0 HD21 ASN A 16 7.649 -10.061 -2.064 1.00 0.00 H new ATOM 0 HD22 ASN A 16 7.571 -8.464 -2.814 1.00 0.00 H new ATOM 245 N LEU A 17 5.853 -4.016 -0.513 1.00 0.00 N ATOM 246 CA LEU A 17 5.861 -2.698 0.180 1.00 0.00 C ATOM 247 C LEU A 17 4.474 -2.098 0.597 1.00 0.00 C ATOM 248 O LEU A 17 4.469 -1.175 1.414 1.00 0.00 O ATOM 249 CB LEU A 17 6.666 -1.683 -0.682 1.00 0.00 C ATOM 250 CG LEU A 17 8.196 -1.938 -0.746 1.00 0.00 C ATOM 251 CD1 LEU A 17 8.820 -1.100 -1.874 1.00 0.00 C ATOM 252 CD2 LEU A 17 8.902 -1.588 0.572 1.00 0.00 C ATOM 0 H LEU A 17 6.021 -3.957 -1.517 1.00 0.00 H new ATOM 0 HA LEU A 17 6.337 -2.889 1.142 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.269 -1.697 -1.697 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.497 -0.681 -0.287 1.00 0.00 H new ATOM 0 HG LEU A 17 8.332 -3.003 -0.934 1.00 0.00 H new ATOM 0 HD11 LEU A 17 9.894 -1.284 -1.913 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.369 -1.379 -2.826 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.640 -0.042 -1.683 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.970 -1.784 0.476 1.00 0.00 H new ATOM 0 HD22 LEU A 17 8.746 -0.534 0.800 1.00 0.00 H new ATOM 0 HD23 LEU A 17 8.492 -2.198 1.377 1.00 0.00 H new ATOM 264 N ILE A 18 3.326 -2.602 0.114 1.00 0.00 N ATOM 265 CA ILE A 18 1.977 -2.063 0.489 1.00 0.00 C ATOM 266 C ILE A 18 1.450 -2.777 1.761 1.00 0.00 C ATOM 267 O ILE A 18 0.615 -3.676 1.689 1.00 0.00 O ATOM 268 CB ILE A 18 1.062 -2.138 -0.779 1.00 0.00 C ATOM 269 CG1 ILE A 18 1.517 -1.121 -1.872 1.00 0.00 C ATOM 270 CG2 ILE A 18 -0.457 -1.976 -0.547 1.00 0.00 C ATOM 271 CD1 ILE A 18 1.282 0.347 -1.535 1.00 0.00 C ATOM 0 H ILE A 18 3.289 -3.384 -0.540 1.00 0.00 H new ATOM 0 HA ILE A 18 2.007 -1.013 0.779 1.00 0.00 H new ATOM 0 HB ILE A 18 1.199 -3.167 -1.111 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.580 -1.268 -2.061 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.994 -1.352 -2.800 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.980 -2.047 -1.501 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.809 -2.763 0.120 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.655 -1.003 -0.096 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.632 0.970 -2.358 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.217 0.518 -1.378 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.828 0.604 -0.628 1.00 0.00 H new ATOM 283 N LYS A 19 1.950 -2.358 2.934 1.00 0.00 N ATOM 284 CA LYS A 19 1.522 -2.915 4.241 1.00 0.00 C ATOM 285 C LYS A 19 1.661 -1.794 5.303 1.00 0.00 C ATOM 286 O LYS A 19 2.782 -1.396 5.636 1.00 0.00 O ATOM 287 CB LYS A 19 2.341 -4.161 4.680 1.00 0.00 C ATOM 288 CG LYS A 19 2.145 -5.371 3.757 1.00 0.00 C ATOM 289 CD LYS A 19 2.539 -6.718 4.376 1.00 0.00 C ATOM 290 CE LYS A 19 4.042 -7.022 4.459 1.00 0.00 C ATOM 291 NZ LYS A 19 4.604 -7.222 3.095 1.00 0.00 N ATOM 0 H LYS A 19 2.658 -1.628 3.011 1.00 0.00 H new ATOM 0 HA LYS A 19 0.491 -3.253 4.142 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.399 -3.901 4.707 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.055 -4.437 5.695 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.098 -5.416 3.457 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.730 -5.218 2.850 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.126 -6.764 5.384 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.062 -7.511 3.799 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.559 -6.201 4.956 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.207 -7.915 5.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.509 -7.730 3.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.937 -7.778 2.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.760 -6.298 2.645 1.00 0.00 H new ATOM 305 N GLN A 20 0.542 -1.275 5.828 1.00 0.00 N ATOM 306 CA GLN A 20 0.568 -0.026 6.641 1.00 0.00 C ATOM 307 C GLN A 20 1.353 -0.046 7.979 1.00 0.00 C ATOM 308 O GLN A 20 1.912 0.990 8.329 1.00 0.00 O ATOM 309 CB GLN A 20 -0.860 0.549 6.756 1.00 0.00 C ATOM 310 CG GLN A 20 -0.865 2.042 7.163 1.00 0.00 C ATOM 311 CD GLN A 20 -2.240 2.661 7.337 1.00 0.00 C ATOM 312 OE1 GLN A 20 -3.173 2.076 7.882 1.00 0.00 O ATOM 313 NE2 GLN A 20 -2.380 3.893 6.921 1.00 0.00 N ATOM 0 H GLN A 20 -0.385 -1.685 5.713 1.00 0.00 H new ATOM 0 HA GLN A 20 1.197 0.663 6.077 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -1.373 0.434 5.801 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -1.422 -0.027 7.491 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -0.315 2.149 8.098 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -0.322 2.610 6.407 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -1.600 4.371 6.470 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -3.269 4.376 7.048 1.00 0.00 H new ATOM 322 N ASN A 21 1.494 -1.170 8.691 1.00 0.00 N ATOM 323 CA ASN A 21 2.469 -1.254 9.822 1.00 0.00 C ATOM 324 C ASN A 21 3.996 -1.211 9.429 1.00 0.00 C ATOM 325 O ASN A 21 4.807 -0.896 10.297 1.00 0.00 O ATOM 326 CB ASN A 21 2.100 -2.482 10.682 1.00 0.00 C ATOM 327 CG ASN A 21 2.404 -2.356 12.169 1.00 0.00 C ATOM 328 OD1 ASN A 21 1.515 -2.145 12.987 1.00 0.00 O ATOM 329 ND2 ASN A 21 3.641 -2.487 12.587 1.00 0.00 N ATOM 0 H ASN A 21 0.965 -2.025 8.522 1.00 0.00 H new ATOM 0 HA ASN A 21 2.369 -0.336 10.400 1.00 0.00 H new ATOM 0 HB2 ASN A 21 1.035 -2.681 10.562 1.00 0.00 H new ATOM 0 HB3 ASN A 21 2.632 -3.350 10.292 1.00 0.00 H new ATOM 0 HD21 ASN A 21 3.854 -2.413 13.582 1.00 0.00 H new ATOM 0 HD22 ASN A 21 4.390 -2.663 11.917 1.00 0.00 H new ATOM 336 N ALA A 22 4.374 -1.471 8.166 1.00 0.00 N ATOM 337 CA ALA A 22 5.659 -0.984 7.598 1.00 0.00 C ATOM 338 C ALA A 22 5.603 0.462 6.987 1.00 0.00 C ATOM 339 O ALA A 22 6.516 1.248 7.239 1.00 0.00 O ATOM 340 CB ALA A 22 6.117 -2.015 6.554 1.00 0.00 C ATOM 0 H ALA A 22 3.812 -2.016 7.512 1.00 0.00 H new ATOM 0 HA ALA A 22 6.375 -0.892 8.414 1.00 0.00 H new ATOM 0 HB1 ALA A 22 7.060 -1.692 6.113 1.00 0.00 H new ATOM 0 HB2 ALA A 22 6.254 -2.984 7.035 1.00 0.00 H new ATOM 0 HB3 ALA A 22 5.362 -2.102 5.773 1.00 0.00 H new ATOM 346 N VAL A 23 4.559 0.809 6.211 1.00 0.00 N ATOM 347 CA VAL A 23 4.420 2.153 5.559 1.00 0.00 C ATOM 348 C VAL A 23 4.179 3.345 6.545 1.00 0.00 C ATOM 349 O VAL A 23 4.640 4.445 6.250 1.00 0.00 O ATOM 350 CB VAL A 23 3.359 2.121 4.409 1.00 0.00 C ATOM 351 CG1 VAL A 23 3.228 3.452 3.628 1.00 0.00 C ATOM 352 CG2 VAL A 23 3.658 1.046 3.341 1.00 0.00 C ATOM 0 H VAL A 23 3.783 0.178 6.010 1.00 0.00 H new ATOM 0 HA VAL A 23 5.398 2.358 5.123 1.00 0.00 H new ATOM 0 HB VAL A 23 2.437 1.906 4.949 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.473 3.344 2.850 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.933 4.248 4.312 1.00 0.00 H new ATOM 0 HG13 VAL A 23 4.186 3.702 3.172 1.00 0.00 H new ATOM 0 HG21 VAL A 23 2.887 1.074 2.571 1.00 0.00 H new ATOM 0 HG22 VAL A 23 4.630 1.243 2.889 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.668 0.061 3.809 1.00 0.00 H new ATOM 362 N GLU A 24 3.507 3.166 7.685 1.00 0.00 N ATOM 363 CA GLU A 24 3.547 4.145 8.806 1.00 0.00 C ATOM 364 C GLU A 24 4.900 4.143 9.603 1.00 0.00 C ATOM 365 O GLU A 24 5.477 5.206 9.841 1.00 0.00 O ATOM 366 CB GLU A 24 2.298 3.878 9.680 1.00 0.00 C ATOM 367 CG GLU A 24 1.557 5.119 10.202 1.00 0.00 C ATOM 368 CD GLU A 24 2.332 6.101 11.043 1.00 0.00 C ATOM 369 OE1 GLU A 24 2.476 5.865 12.260 1.00 0.00 O ATOM 370 OE2 GLU A 24 2.775 7.136 10.499 1.00 0.00 O ATOM 0 H GLU A 24 2.922 2.351 7.869 1.00 0.00 H new ATOM 0 HA GLU A 24 3.513 5.162 8.415 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.596 3.279 9.100 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.601 3.275 10.536 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.158 5.657 9.342 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.704 4.777 10.788 1.00 0.00 H new ATOM 377 N GLN A 25 5.436 2.953 9.937 1.00 0.00 N ATOM 378 CA GLN A 25 6.754 2.803 10.617 1.00 0.00 C ATOM 379 C GLN A 25 8.013 3.346 9.876 1.00 0.00 C ATOM 380 O GLN A 25 8.928 3.802 10.567 1.00 0.00 O ATOM 381 CB GLN A 25 6.872 1.309 11.000 1.00 0.00 C ATOM 382 CG GLN A 25 8.042 0.945 11.935 1.00 0.00 C ATOM 383 CD GLN A 25 8.055 -0.536 12.299 1.00 0.00 C ATOM 384 OE1 GLN A 25 8.569 -1.380 11.574 1.00 0.00 O ATOM 385 NE2 GLN A 25 7.501 -0.909 13.428 1.00 0.00 N ATOM 0 H GLN A 25 4.974 2.064 9.747 1.00 0.00 H new ATOM 0 HA GLN A 25 6.754 3.460 11.487 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.942 1.001 11.477 1.00 0.00 H new ATOM 0 HB3 GLN A 25 6.969 0.726 10.084 1.00 0.00 H new ATOM 0 HG2 GLN A 25 8.984 1.206 11.453 1.00 0.00 H new ATOM 0 HG3 GLN A 25 7.974 1.540 12.846 1.00 0.00 H new ATOM 0 HE21 GLN A 25 7.070 -0.215 14.039 1.00 0.00 H new ATOM 0 HE22 GLN A 25 7.501 -1.893 13.695 1.00 0.00 H new ATOM 394 N LEU A 26 8.068 3.361 8.529 1.00 0.00 N ATOM 395 CA LEU A 26 9.107 4.128 7.777 1.00 0.00 C ATOM 396 C LEU A 26 9.313 5.630 8.151 1.00 0.00 C ATOM 397 O LEU A 26 10.457 6.085 8.168 1.00 0.00 O ATOM 398 CB LEU A 26 9.015 3.855 6.250 1.00 0.00 C ATOM 399 CG LEU A 26 7.762 4.266 5.459 1.00 0.00 C ATOM 400 CD1 LEU A 26 7.638 5.750 5.101 1.00 0.00 C ATOM 401 CD2 LEU A 26 7.699 3.480 4.129 1.00 0.00 C ATOM 0 H LEU A 26 7.412 2.856 7.933 1.00 0.00 H new ATOM 0 HA LEU A 26 10.048 3.715 8.140 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.867 4.349 5.783 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.149 2.783 6.106 1.00 0.00 H new ATOM 0 HG LEU A 26 6.944 4.038 6.143 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.715 5.914 4.545 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.622 6.345 6.014 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.489 6.049 4.488 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.809 3.776 3.573 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.587 3.698 3.535 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.657 2.411 4.340 1.00 0.00 H new ATOM 413 N GLN A 27 8.223 6.359 8.446 1.00 0.00 N ATOM 414 CA GLN A 27 8.230 7.782 8.883 1.00 0.00 C ATOM 415 C GLN A 27 9.182 8.782 8.148 1.00 0.00 C ATOM 416 O GLN A 27 9.960 9.513 8.766 1.00 0.00 O ATOM 417 CB GLN A 27 8.259 7.813 10.432 1.00 0.00 C ATOM 418 CG GLN A 27 7.457 8.969 11.073 1.00 0.00 C ATOM 419 CD GLN A 27 5.946 8.918 10.836 1.00 0.00 C ATOM 420 OE1 GLN A 27 5.414 9.609 9.974 1.00 0.00 O ATOM 421 NE2 GLN A 27 5.226 8.084 11.550 1.00 0.00 N ATOM 0 H GLN A 27 7.281 5.971 8.388 1.00 0.00 H new ATOM 0 HA GLN A 27 7.299 8.225 8.530 1.00 0.00 H new ATOM 0 HB2 GLN A 27 7.869 6.867 10.808 1.00 0.00 H new ATOM 0 HB3 GLN A 27 9.296 7.883 10.761 1.00 0.00 H new ATOM 0 HG2 GLN A 27 7.641 8.967 12.147 1.00 0.00 H new ATOM 0 HG3 GLN A 27 7.838 9.914 10.686 1.00 0.00 H new ATOM 0 HE21 GLN A 27 5.671 7.510 12.266 1.00 0.00 H new ATOM 0 HE22 GLN A 27 4.222 8.010 11.388 1.00 0.00 H new ATOM 430 N VAL A 28 9.089 8.799 6.808 1.00 0.00 N ATOM 431 CA VAL A 28 10.019 9.558 5.928 1.00 0.00 C ATOM 432 C VAL A 28 9.332 10.893 5.491 1.00 0.00 C ATOM 433 O VAL A 28 8.269 10.879 4.864 1.00 0.00 O ATOM 434 CB VAL A 28 10.419 8.685 4.682 1.00 0.00 C ATOM 435 CG1 VAL A 28 11.349 9.434 3.696 1.00 0.00 C ATOM 436 CG2 VAL A 28 11.159 7.381 5.062 1.00 0.00 C ATOM 0 H VAL A 28 8.369 8.289 6.295 1.00 0.00 H new ATOM 0 HA VAL A 28 10.934 9.797 6.471 1.00 0.00 H new ATOM 0 HB VAL A 28 9.460 8.458 4.216 1.00 0.00 H new ATOM 0 HG11 VAL A 28 11.591 8.782 2.857 1.00 0.00 H new ATOM 0 HG12 VAL A 28 10.845 10.327 3.327 1.00 0.00 H new ATOM 0 HG13 VAL A 28 12.267 9.721 4.209 1.00 0.00 H new ATOM 0 HG21 VAL A 28 11.406 6.826 4.157 1.00 0.00 H new ATOM 0 HG22 VAL A 28 12.075 7.626 5.599 1.00 0.00 H new ATOM 0 HG23 VAL A 28 10.518 6.771 5.698 1.00 0.00 H new ATOM 446 N GLY A 29 9.999 12.022 5.765 1.00 0.00 N ATOM 447 CA GLY A 29 9.583 13.349 5.263 1.00 0.00 C ATOM 448 C GLY A 29 10.610 13.946 4.292 1.00 0.00 C ATOM 449 O GLY A 29 11.337 14.864 4.668 1.00 0.00 O ATOM 0 H GLY A 29 10.841 12.047 6.339 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.619 13.261 4.762 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.443 14.027 6.105 1.00 0.00 H new ATOM 453 N GLN A 30 10.669 13.408 3.060 1.00 0.00 N ATOM 454 CA GLN A 30 11.747 13.757 2.092 1.00 0.00 C ATOM 455 C GLN A 30 11.254 14.070 0.650 1.00 0.00 C ATOM 456 O GLN A 30 11.628 15.127 0.136 1.00 0.00 O ATOM 457 CB GLN A 30 12.831 12.649 2.144 1.00 0.00 C ATOM 458 CG GLN A 30 14.093 12.866 1.282 1.00 0.00 C ATOM 459 CD GLN A 30 14.955 14.068 1.635 1.00 0.00 C ATOM 460 OE1 GLN A 30 15.859 13.997 2.459 1.00 0.00 O ATOM 461 NE2 GLN A 30 14.723 15.208 1.027 1.00 0.00 N ATOM 0 H GLN A 30 9.992 12.733 2.705 1.00 0.00 H new ATOM 0 HA GLN A 30 12.181 14.708 2.402 1.00 0.00 H new ATOM 0 HB2 GLN A 30 13.145 12.530 3.181 1.00 0.00 H new ATOM 0 HB3 GLN A 30 12.370 11.709 1.840 1.00 0.00 H new ATOM 0 HG2 GLN A 30 14.711 11.971 1.350 1.00 0.00 H new ATOM 0 HG3 GLN A 30 13.783 12.961 0.241 1.00 0.00 H new ATOM 0 HE21 GLN A 30 13.972 15.276 0.340 1.00 0.00 H new ATOM 0 HE22 GLN A 30 15.293 16.026 1.242 1.00 0.00 H new ATOM 470 N SER A 31 10.520 13.165 -0.026 1.00 0.00 N ATOM 471 CA SER A 31 10.191 13.332 -1.470 1.00 0.00 C ATOM 472 C SER A 31 8.853 12.654 -1.885 1.00 0.00 C ATOM 473 O SER A 31 8.538 11.529 -1.483 1.00 0.00 O ATOM 474 CB SER A 31 11.374 12.815 -2.334 1.00 0.00 C ATOM 475 OG SER A 31 11.117 12.949 -3.736 1.00 0.00 O ATOM 0 H SER A 31 10.143 12.315 0.393 1.00 0.00 H new ATOM 0 HA SER A 31 10.043 14.397 -1.647 1.00 0.00 H new ATOM 0 HB2 SER A 31 12.278 13.367 -2.077 1.00 0.00 H new ATOM 0 HB3 SER A 31 11.563 11.767 -2.099 1.00 0.00 H new ATOM 0 HG SER A 31 11.041 13.899 -3.965 1.00 0.00 H new ATOM 481 N LYS A 32 8.120 13.349 -2.768 1.00 0.00 N ATOM 482 CA LYS A 32 6.882 12.842 -3.407 1.00 0.00 C ATOM 483 C LYS A 32 7.045 11.657 -4.401 1.00 0.00 C ATOM 484 O LYS A 32 6.341 10.652 -4.275 1.00 0.00 O ATOM 485 CB LYS A 32 6.057 14.009 -4.028 1.00 0.00 C ATOM 486 CG LYS A 32 6.791 14.964 -4.987 1.00 0.00 C ATOM 487 CD LYS A 32 5.851 15.783 -5.872 1.00 0.00 C ATOM 488 CE LYS A 32 6.490 17.043 -6.499 1.00 0.00 C ATOM 489 NZ LYS A 32 7.675 16.819 -7.362 1.00 0.00 N ATOM 0 H LYS A 32 8.368 14.292 -3.067 1.00 0.00 H new ATOM 0 HA LYS A 32 6.325 12.395 -2.583 1.00 0.00 H new ATOM 0 HB2 LYS A 32 5.213 13.576 -4.565 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.646 14.602 -3.211 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.413 15.644 -4.404 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.461 14.384 -5.622 1.00 0.00 H new ATOM 0 HD2 LYS A 32 5.479 15.144 -6.673 1.00 0.00 H new ATOM 0 HD3 LYS A 32 4.988 16.086 -5.279 1.00 0.00 H new ATOM 0 HE2 LYS A 32 5.729 17.555 -7.088 1.00 0.00 H new ATOM 0 HE3 LYS A 32 6.777 17.718 -5.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.783 17.619 -8.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.526 16.740 -6.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.548 15.941 -7.905 1.00 0.00 H new ATOM 503 N GLN A 33 7.962 11.775 -5.367 1.00 0.00 N ATOM 504 CA GLN A 33 8.241 10.695 -6.348 1.00 0.00 C ATOM 505 C GLN A 33 8.939 9.428 -5.787 1.00 0.00 C ATOM 506 O GLN A 33 8.613 8.331 -6.236 1.00 0.00 O ATOM 507 CB GLN A 33 8.986 11.373 -7.521 1.00 0.00 C ATOM 508 CG GLN A 33 9.344 10.420 -8.678 1.00 0.00 C ATOM 509 CD GLN A 33 9.526 11.130 -10.008 1.00 0.00 C ATOM 510 OE1 GLN A 33 8.561 11.551 -10.638 1.00 0.00 O ATOM 511 NE2 GLN A 33 10.737 11.295 -10.482 1.00 0.00 N ATOM 0 H GLN A 33 8.533 12.610 -5.499 1.00 0.00 H new ATOM 0 HA GLN A 33 7.301 10.254 -6.681 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.368 12.182 -7.910 1.00 0.00 H new ATOM 0 HB3 GLN A 33 9.902 11.826 -7.142 1.00 0.00 H new ATOM 0 HG2 GLN A 33 10.262 9.888 -8.430 1.00 0.00 H new ATOM 0 HG3 GLN A 33 8.559 9.671 -8.779 1.00 0.00 H new ATOM 0 HE21 GLN A 33 11.541 10.946 -9.960 1.00 0.00 H new ATOM 0 HE22 GLN A 33 10.875 11.772 -11.373 1.00 0.00 H new ATOM 520 N GLN A 34 9.851 9.562 -4.815 1.00 0.00 N ATOM 521 CA GLN A 34 10.417 8.404 -4.079 1.00 0.00 C ATOM 522 C GLN A 34 9.356 7.547 -3.315 1.00 0.00 C ATOM 523 O GLN A 34 9.319 6.332 -3.525 1.00 0.00 O ATOM 524 CB GLN A 34 11.529 8.866 -3.108 1.00 0.00 C ATOM 525 CG GLN A 34 12.779 9.514 -3.735 1.00 0.00 C ATOM 526 CD GLN A 34 13.633 8.592 -4.591 1.00 0.00 C ATOM 527 OE1 GLN A 34 14.398 7.771 -4.097 1.00 0.00 O ATOM 528 NE2 GLN A 34 13.541 8.684 -5.895 1.00 0.00 N ATOM 0 H GLN A 34 10.220 10.464 -4.512 1.00 0.00 H new ATOM 0 HA GLN A 34 10.837 7.750 -4.843 1.00 0.00 H new ATOM 0 HB2 GLN A 34 11.093 9.578 -2.408 1.00 0.00 H new ATOM 0 HB3 GLN A 34 11.851 8.003 -2.526 1.00 0.00 H new ATOM 0 HG2 GLN A 34 12.461 10.359 -4.347 1.00 0.00 H new ATOM 0 HG3 GLN A 34 13.399 9.916 -2.934 1.00 0.00 H new ATOM 0 HE21 GLN A 34 12.907 9.364 -6.315 1.00 0.00 H new ATOM 0 HE22 GLN A 34 14.103 8.076 -6.490 1.00 0.00 H new ATOM 537 N VAL A 35 8.473 8.156 -2.500 1.00 0.00 N ATOM 538 CA VAL A 35 7.345 7.411 -1.863 1.00 0.00 C ATOM 539 C VAL A 35 6.297 6.826 -2.857 1.00 0.00 C ATOM 540 O VAL A 35 5.927 5.660 -2.699 1.00 0.00 O ATOM 541 CB VAL A 35 6.780 8.236 -0.669 1.00 0.00 C ATOM 542 CG1 VAL A 35 5.895 9.432 -1.047 1.00 0.00 C ATOM 543 CG2 VAL A 35 6.008 7.355 0.332 1.00 0.00 C ATOM 0 H VAL A 35 8.508 9.147 -2.263 1.00 0.00 H new ATOM 0 HA VAL A 35 7.742 6.487 -1.442 1.00 0.00 H new ATOM 0 HB VAL A 35 7.682 8.643 -0.211 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.556 9.935 -0.141 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.468 10.130 -1.657 1.00 0.00 H new ATOM 0 HG13 VAL A 35 5.031 9.081 -1.612 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.633 7.974 1.147 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.170 6.876 -0.175 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.674 6.591 0.733 1.00 0.00 H new ATOM 553 N SER A 36 5.878 7.569 -3.900 1.00 0.00 N ATOM 554 CA SER A 36 5.006 7.009 -4.972 1.00 0.00 C ATOM 555 C SER A 36 5.627 5.889 -5.853 1.00 0.00 C ATOM 556 O SER A 36 4.938 4.908 -6.132 1.00 0.00 O ATOM 557 CB SER A 36 4.360 8.161 -5.795 1.00 0.00 C ATOM 558 OG SER A 36 4.944 8.377 -7.087 1.00 0.00 O ATOM 0 H SER A 36 6.122 8.551 -4.030 1.00 0.00 H new ATOM 0 HA SER A 36 4.219 6.463 -4.451 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.299 7.947 -5.923 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.432 9.084 -5.220 1.00 0.00 H new ATOM 0 HG SER A 36 4.545 7.759 -7.734 1.00 0.00 H new ATOM 564 N ALA A 37 6.900 5.996 -6.256 1.00 0.00 N ATOM 565 CA ALA A 37 7.618 4.894 -6.945 1.00 0.00 C ATOM 566 C ALA A 37 7.850 3.597 -6.108 1.00 0.00 C ATOM 567 O ALA A 37 7.655 2.505 -6.645 1.00 0.00 O ATOM 568 CB ALA A 37 8.946 5.466 -7.461 1.00 0.00 C ATOM 0 H ALA A 37 7.464 6.835 -6.120 1.00 0.00 H new ATOM 0 HA ALA A 37 6.973 4.549 -7.753 1.00 0.00 H new ATOM 0 HB1 ALA A 37 9.504 4.683 -7.975 1.00 0.00 H new ATOM 0 HB2 ALA A 37 8.745 6.283 -8.154 1.00 0.00 H new ATOM 0 HB3 ALA A 37 9.533 5.838 -6.621 1.00 0.00 H new ATOM 574 N LEU A 38 8.212 3.710 -4.818 1.00 0.00 N ATOM 575 CA LEU A 38 8.259 2.545 -3.889 1.00 0.00 C ATOM 576 C LEU A 38 6.873 1.870 -3.602 1.00 0.00 C ATOM 577 O LEU A 38 6.772 0.643 -3.656 1.00 0.00 O ATOM 578 CB LEU A 38 8.967 2.962 -2.570 1.00 0.00 C ATOM 579 CG LEU A 38 10.496 2.735 -2.523 1.00 0.00 C ATOM 580 CD1 LEU A 38 11.294 3.589 -3.511 1.00 0.00 C ATOM 581 CD2 LEU A 38 11.001 3.039 -1.097 1.00 0.00 C ATOM 0 H LEU A 38 8.479 4.594 -4.385 1.00 0.00 H new ATOM 0 HA LEU A 38 8.833 1.772 -4.399 1.00 0.00 H new ATOM 0 HB2 LEU A 38 8.771 4.020 -2.394 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.512 2.412 -1.746 1.00 0.00 H new ATOM 0 HG LEU A 38 10.657 1.696 -2.809 1.00 0.00 H new ATOM 0 HD11 LEU A 38 12.356 3.366 -3.410 1.00 0.00 H new ATOM 0 HD12 LEU A 38 10.971 3.366 -4.528 1.00 0.00 H new ATOM 0 HD13 LEU A 38 11.124 4.645 -3.300 1.00 0.00 H new ATOM 0 HD21 LEU A 38 12.079 2.882 -1.052 1.00 0.00 H new ATOM 0 HD22 LEU A 38 10.774 4.075 -0.844 1.00 0.00 H new ATOM 0 HD23 LEU A 38 10.508 2.375 -0.387 1.00 0.00 H new ATOM 593 N LEU A 39 5.827 2.654 -3.329 1.00 0.00 N ATOM 594 CA LEU A 39 4.433 2.143 -3.222 1.00 0.00 C ATOM 595 C LEU A 39 3.761 1.627 -4.551 1.00 0.00 C ATOM 596 O LEU A 39 2.906 0.737 -4.502 1.00 0.00 O ATOM 597 CB LEU A 39 3.596 3.297 -2.610 1.00 0.00 C ATOM 598 CG LEU A 39 3.907 3.640 -1.126 1.00 0.00 C ATOM 599 CD1 LEU A 39 3.192 4.952 -0.779 1.00 0.00 C ATOM 600 CD2 LEU A 39 3.468 2.550 -0.146 1.00 0.00 C ATOM 0 H LEU A 39 5.908 3.659 -3.174 1.00 0.00 H new ATOM 0 HA LEU A 39 4.468 1.244 -2.606 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.751 4.193 -3.211 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.540 3.038 -2.691 1.00 0.00 H new ATOM 0 HG LEU A 39 4.989 3.728 -1.026 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.396 5.214 0.259 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.554 5.747 -1.431 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.118 4.829 -0.918 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.715 2.854 0.871 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.392 2.399 -0.228 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.984 1.619 -0.382 1.00 0.00 H new ATOM 612 N GLY A 40 4.130 2.197 -5.698 1.00 0.00 N ATOM 613 CA GLY A 40 3.614 1.800 -7.024 1.00 0.00 C ATOM 614 C GLY A 40 2.499 2.710 -7.546 1.00 0.00 C ATOM 615 O GLY A 40 1.332 2.313 -7.580 1.00 0.00 O ATOM 0 H GLY A 40 4.806 2.960 -5.741 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.436 1.800 -7.739 1.00 0.00 H new ATOM 0 HA3 GLY A 40 3.241 0.778 -6.968 1.00 0.00 H new ATOM 619 N THR A 41 2.843 3.950 -7.911 1.00 0.00 N ATOM 620 CA THR A 41 1.870 4.964 -8.410 1.00 0.00 C ATOM 621 C THR A 41 2.680 6.137 -9.075 1.00 0.00 C ATOM 622 O THR A 41 3.654 6.605 -8.465 1.00 0.00 O ATOM 623 CB THR A 41 0.943 5.494 -7.271 1.00 0.00 C ATOM 624 OG1 THR A 41 0.224 4.417 -6.675 1.00 0.00 O ATOM 625 CG2 THR A 41 -0.134 6.472 -7.724 1.00 0.00 C ATOM 0 H THR A 41 3.803 4.293 -7.874 1.00 0.00 H new ATOM 0 HA THR A 41 1.213 4.500 -9.145 1.00 0.00 H new ATOM 0 HB THR A 41 1.631 5.999 -6.593 1.00 0.00 H new ATOM 0 HG1 THR A 41 0.312 3.616 -7.233 1.00 0.00 H new ATOM 0 HG21 THR A 41 -0.727 6.784 -6.864 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.335 7.345 -8.178 1.00 0.00 H new ATOM 0 HG23 THR A 41 -0.782 5.987 -8.455 1.00 0.00 H new ATOM 633 N PRO A 42 2.319 6.681 -10.271 1.00 0.00 N ATOM 634 CA PRO A 42 3.008 7.884 -10.846 1.00 0.00 C ATOM 635 C PRO A 42 2.869 9.178 -9.997 1.00 0.00 C ATOM 636 O PRO A 42 1.913 9.363 -9.238 1.00 0.00 O ATOM 637 CB PRO A 42 2.372 7.992 -12.256 1.00 0.00 C ATOM 638 CG PRO A 42 0.971 7.361 -12.101 1.00 0.00 C ATOM 639 CD PRO A 42 1.197 6.208 -11.110 1.00 0.00 C ATOM 0 HA PRO A 42 4.092 7.770 -10.869 1.00 0.00 H new ATOM 0 HB2 PRO A 42 2.305 9.030 -12.582 1.00 0.00 H new ATOM 0 HB3 PRO A 42 2.966 7.461 -13.000 1.00 0.00 H new ATOM 0 HG2 PRO A 42 0.248 8.081 -11.719 1.00 0.00 H new ATOM 0 HG3 PRO A 42 0.587 6.999 -13.055 1.00 0.00 H new ATOM 0 HD2 PRO A 42 0.306 6.012 -10.514 1.00 0.00 H new ATOM 0 HD3 PRO A 42 1.446 5.280 -11.625 1.00 0.00 H new ATOM 647 N SER A 43 3.877 10.046 -10.098 1.00 0.00 N ATOM 648 CA SER A 43 4.053 11.192 -9.179 1.00 0.00 C ATOM 649 C SER A 43 3.212 12.453 -9.548 1.00 0.00 C ATOM 650 O SER A 43 2.291 12.421 -10.369 1.00 0.00 O ATOM 651 CB SER A 43 5.600 11.417 -9.135 1.00 0.00 C ATOM 652 OG SER A 43 6.097 12.002 -10.338 1.00 0.00 O ATOM 0 H SER A 43 4.599 9.982 -10.816 1.00 0.00 H new ATOM 0 HA SER A 43 3.657 10.979 -8.186 1.00 0.00 H new ATOM 0 HB2 SER A 43 5.847 12.061 -8.291 1.00 0.00 H new ATOM 0 HB3 SER A 43 6.099 10.463 -8.965 1.00 0.00 H new ATOM 0 HG SER A 43 7.064 12.140 -10.260 1.00 0.00 H new ATOM 658 N ILE A 44 3.554 13.573 -8.900 1.00 0.00 N ATOM 659 CA ILE A 44 3.029 14.918 -9.267 1.00 0.00 C ATOM 660 C ILE A 44 4.248 15.658 -9.925 1.00 0.00 C ATOM 661 O ILE A 44 5.115 16.125 -9.174 1.00 0.00 O ATOM 662 CB ILE A 44 2.427 15.672 -8.026 1.00 0.00 C ATOM 663 CG1 ILE A 44 1.213 14.908 -7.421 1.00 0.00 C ATOM 664 CG2 ILE A 44 1.969 17.102 -8.416 1.00 0.00 C ATOM 665 CD1 ILE A 44 0.777 15.419 -6.050 1.00 0.00 C ATOM 0 H ILE A 44 4.198 13.586 -8.109 1.00 0.00 H new ATOM 0 HA ILE A 44 2.190 14.864 -9.961 1.00 0.00 H new ATOM 0 HB ILE A 44 3.219 15.728 -7.279 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.371 14.982 -8.109 1.00 0.00 H new ATOM 0 HG13 ILE A 44 1.466 13.851 -7.339 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.556 17.603 -7.541 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.822 17.668 -8.790 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.206 17.041 -9.192 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -0.073 14.835 -5.698 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.602 15.319 -5.345 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.490 16.468 -6.127 1.00 0.00 H new ATOM 677 N PRO A 45 4.385 15.777 -11.275 1.00 0.00 N ATOM 678 CA PRO A 45 5.612 16.379 -11.904 1.00 0.00 C ATOM 679 C PRO A 45 5.645 17.933 -11.933 1.00 0.00 C ATOM 680 O PRO A 45 5.615 18.570 -12.989 1.00 0.00 O ATOM 681 CB PRO A 45 5.617 15.692 -13.297 1.00 0.00 C ATOM 682 CG PRO A 45 4.123 15.460 -13.616 1.00 0.00 C ATOM 683 CD PRO A 45 3.531 15.068 -12.253 1.00 0.00 C ATOM 0 HA PRO A 45 6.522 16.198 -11.332 1.00 0.00 H new ATOM 0 HB2 PRO A 45 6.091 16.323 -14.049 1.00 0.00 H new ATOM 0 HB3 PRO A 45 6.169 14.752 -13.275 1.00 0.00 H new ATOM 0 HG2 PRO A 45 3.652 16.358 -14.016 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.987 14.672 -14.356 1.00 0.00 H new ATOM 0 HD2 PRO A 45 2.488 15.374 -12.168 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.560 13.989 -12.100 1.00 0.00 H new ATOM 691 N ASP A 46 5.782 18.512 -10.735 1.00 0.00 N ATOM 692 CA ASP A 46 6.018 19.956 -10.532 1.00 0.00 C ATOM 693 C ASP A 46 7.185 20.150 -9.497 1.00 0.00 C ATOM 694 O ASP A 46 7.094 19.613 -8.384 1.00 0.00 O ATOM 695 CB ASP A 46 4.708 20.653 -10.086 1.00 0.00 C ATOM 696 CG ASP A 46 4.854 22.156 -9.818 1.00 0.00 C ATOM 697 OD1 ASP A 46 5.531 22.849 -10.608 1.00 0.00 O ATOM 698 OD2 ASP A 46 4.351 22.644 -8.784 1.00 0.00 O ATOM 0 H ASP A 46 5.732 17.987 -9.862 1.00 0.00 H new ATOM 0 HA ASP A 46 6.322 20.424 -11.468 1.00 0.00 H new ATOM 0 HB2 ASP A 46 3.951 20.505 -10.856 1.00 0.00 H new ATOM 0 HB3 ASP A 46 4.342 20.168 -9.181 1.00 0.00 H new ATOM 703 N PRO A 47 8.249 20.939 -9.786 1.00 0.00 N ATOM 704 CA PRO A 47 9.145 21.502 -8.731 1.00 0.00 C ATOM 705 C PRO A 47 8.750 22.871 -8.085 1.00 0.00 C ATOM 706 O PRO A 47 9.478 23.308 -7.191 1.00 0.00 O ATOM 707 CB PRO A 47 10.461 21.627 -9.555 1.00 0.00 C ATOM 708 CG PRO A 47 9.978 22.087 -10.954 1.00 0.00 C ATOM 709 CD PRO A 47 8.650 21.335 -11.156 1.00 0.00 C ATOM 0 HA PRO A 47 9.153 20.875 -7.840 1.00 0.00 H new ATOM 0 HB2 PRO A 47 11.145 22.350 -9.110 1.00 0.00 H new ATOM 0 HB3 PRO A 47 10.992 20.677 -9.608 1.00 0.00 H new ATOM 0 HG2 PRO A 47 9.835 23.167 -10.992 1.00 0.00 H new ATOM 0 HG3 PRO A 47 10.702 21.834 -11.729 1.00 0.00 H new ATOM 0 HD2 PRO A 47 7.898 21.971 -11.623 1.00 0.00 H new ATOM 0 HD3 PRO A 47 8.778 20.466 -11.801 1.00 0.00 H new ATOM 717 N PHE A 48 7.667 23.548 -8.505 1.00 0.00 N ATOM 718 CA PHE A 48 7.283 24.880 -7.967 1.00 0.00 C ATOM 719 C PHE A 48 6.498 24.797 -6.627 1.00 0.00 C ATOM 720 O PHE A 48 7.040 25.222 -5.603 1.00 0.00 O ATOM 721 CB PHE A 48 6.566 25.647 -9.109 1.00 0.00 C ATOM 722 CG PHE A 48 6.266 27.122 -8.804 1.00 0.00 C ATOM 723 CD1 PHE A 48 7.255 28.106 -8.963 1.00 0.00 C ATOM 724 CD2 PHE A 48 4.996 27.510 -8.349 1.00 0.00 C ATOM 725 CE1 PHE A 48 6.982 29.443 -8.667 1.00 0.00 C ATOM 726 CE2 PHE A 48 4.724 28.846 -8.052 1.00 0.00 C ATOM 727 CZ PHE A 48 5.717 29.810 -8.211 1.00 0.00 C ATOM 0 H PHE A 48 7.032 23.197 -9.222 1.00 0.00 H new ATOM 0 HA PHE A 48 8.166 25.447 -7.672 1.00 0.00 H new ATOM 0 HB2 PHE A 48 7.183 25.594 -10.006 1.00 0.00 H new ATOM 0 HB3 PHE A 48 5.629 25.139 -9.336 1.00 0.00 H new ATOM 0 HD1 PHE A 48 8.236 27.826 -9.318 1.00 0.00 H new ATOM 0 HD2 PHE A 48 4.222 26.767 -8.228 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.750 30.192 -8.791 1.00 0.00 H new ATOM 0 HE2 PHE A 48 3.744 29.132 -7.699 1.00 0.00 H new ATOM 0 HZ PHE A 48 5.506 30.844 -7.980 1.00 0.00 H new ATOM 737 N HIS A 49 5.244 24.307 -6.620 1.00 0.00 N ATOM 738 CA HIS A 49 4.448 24.180 -5.364 1.00 0.00 C ATOM 739 C HIS A 49 3.467 22.981 -5.494 1.00 0.00 C ATOM 740 O HIS A 49 2.252 23.143 -5.653 1.00 0.00 O ATOM 741 CB HIS A 49 3.766 25.535 -5.066 1.00 0.00 C ATOM 742 CG HIS A 49 3.106 25.715 -3.678 1.00 0.00 C ATOM 743 ND1 HIS A 49 2.782 26.977 -3.223 1.00 0.00 N ATOM 744 CD2 HIS A 49 2.687 24.756 -2.710 1.00 0.00 C ATOM 745 CE1 HIS A 49 2.203 26.678 -2.021 1.00 0.00 C ATOM 746 NE2 HIS A 49 2.084 25.372 -1.625 1.00 0.00 N ATOM 0 H HIS A 49 4.755 23.992 -7.458 1.00 0.00 H new ATOM 0 HA HIS A 49 5.080 23.957 -4.505 1.00 0.00 H new ATOM 0 HB2 HIS A 49 4.512 26.320 -5.188 1.00 0.00 H new ATOM 0 HB3 HIS A 49 3.002 25.701 -5.825 1.00 0.00 H new ATOM 0 HD2 HIS A 49 2.822 23.689 -2.809 1.00 0.00 H new ATOM 0 HE1 HIS A 49 1.840 27.471 -1.384 1.00 0.00 H new ATOM 0 HE2 HIS A 49 1.673 24.972 -0.782 1.00 0.00 H new ATOM 754 N ALA A 50 4.013 21.767 -5.368 1.00 0.00 N ATOM 755 CA ALA A 50 3.235 20.530 -5.550 1.00 0.00 C ATOM 756 C ALA A 50 2.570 20.032 -4.240 1.00 0.00 C ATOM 757 O ALA A 50 3.210 19.429 -3.373 1.00 0.00 O ATOM 758 CB ALA A 50 4.238 19.525 -6.111 1.00 0.00 C ATOM 0 H ALA A 50 4.995 21.611 -5.140 1.00 0.00 H new ATOM 0 HA ALA A 50 2.390 20.686 -6.221 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.741 18.569 -6.278 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.636 19.897 -7.055 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.054 19.390 -5.401 1.00 0.00 H new ATOM 764 N GLN A 51 1.258 20.271 -4.129 1.00 0.00 N ATOM 765 CA GLN A 51 0.461 19.856 -2.941 1.00 0.00 C ATOM 766 C GLN A 51 0.084 18.332 -2.973 1.00 0.00 C ATOM 767 O GLN A 51 0.760 17.524 -3.615 1.00 0.00 O ATOM 768 CB GLN A 51 -0.726 20.854 -2.829 1.00 0.00 C ATOM 769 CG GLN A 51 -0.291 22.275 -2.389 1.00 0.00 C ATOM 770 CD GLN A 51 -1.433 23.267 -2.203 1.00 0.00 C ATOM 771 OE1 GLN A 51 -2.621 22.965 -2.272 1.00 0.00 O ATOM 772 NE2 GLN A 51 -1.106 24.508 -1.940 1.00 0.00 N ATOM 0 H GLN A 51 0.713 20.751 -4.845 1.00 0.00 H new ATOM 0 HA GLN A 51 1.040 19.918 -2.019 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -1.230 20.918 -3.793 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -1.452 20.466 -2.115 1.00 0.00 H new ATOM 0 HG2 GLN A 51 0.259 22.197 -1.451 1.00 0.00 H new ATOM 0 HG3 GLN A 51 0.400 22.674 -3.132 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -0.123 24.775 -1.879 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -1.834 25.208 -1.796 1.00 0.00 H new ATOM 781 N ARG A 52 -0.929 17.913 -2.201 1.00 0.00 N ATOM 782 CA ARG A 52 -1.141 16.483 -1.849 1.00 0.00 C ATOM 783 C ARG A 52 -1.424 15.495 -3.025 1.00 0.00 C ATOM 784 O ARG A 52 -2.082 15.836 -4.018 1.00 0.00 O ATOM 785 CB ARG A 52 -2.215 16.440 -0.729 1.00 0.00 C ATOM 786 CG ARG A 52 -3.704 16.353 -1.065 1.00 0.00 C ATOM 787 CD ARG A 52 -4.328 17.506 -1.848 1.00 0.00 C ATOM 788 NE ARG A 52 -5.759 17.162 -2.030 1.00 0.00 N ATOM 789 CZ ARG A 52 -6.580 17.681 -2.927 1.00 0.00 C ATOM 790 NH1 ARG A 52 -6.292 18.716 -3.674 1.00 0.00 N ATOM 791 NH2 ARG A 52 -7.740 17.110 -3.053 1.00 0.00 N ATOM 0 H ARG A 52 -1.625 18.542 -1.801 1.00 0.00 H new ATOM 0 HA ARG A 52 -0.187 16.090 -1.499 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -1.981 15.584 -0.096 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.077 17.334 -0.121 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -3.866 15.437 -1.633 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.253 16.249 -0.129 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -4.220 18.446 -1.307 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -3.834 17.634 -2.811 1.00 0.00 H new ATOM 0 HE ARG A 52 -6.147 16.457 -1.403 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -5.385 19.174 -3.583 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -6.974 19.065 -4.347 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -7.977 16.304 -2.475 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -8.414 17.468 -3.730 1.00 0.00 H new ATOM 805 N TRP A 53 -0.976 14.240 -2.850 1.00 0.00 N ATOM 806 CA TRP A 53 -1.451 13.091 -3.681 1.00 0.00 C ATOM 807 C TRP A 53 -2.722 12.532 -3.000 1.00 0.00 C ATOM 808 O TRP A 53 -2.610 11.835 -1.996 1.00 0.00 O ATOM 809 CB TRP A 53 -0.272 12.111 -3.840 1.00 0.00 C ATOM 810 CG TRP A 53 -0.513 10.625 -4.274 1.00 0.00 C ATOM 811 CD1 TRP A 53 -1.654 10.058 -4.909 1.00 0.00 C ATOM 812 CD2 TRP A 53 0.302 9.518 -3.987 1.00 0.00 C ATOM 813 NE1 TRP A 53 -1.608 8.656 -4.952 1.00 0.00 N ATOM 814 CE2 TRP A 53 -0.396 8.340 -4.372 1.00 0.00 C ATOM 815 CE3 TRP A 53 1.582 9.411 -3.351 1.00 0.00 C ATOM 816 CZ2 TRP A 53 0.162 7.056 -4.080 1.00 0.00 C ATOM 817 CZ3 TRP A 53 2.098 8.148 -3.081 1.00 0.00 C ATOM 818 CH2 TRP A 53 1.395 6.983 -3.436 1.00 0.00 C ATOM 0 H TRP A 53 -0.286 13.983 -2.144 1.00 0.00 H new ATOM 0 HA TRP A 53 -1.748 13.352 -4.697 1.00 0.00 H new ATOM 0 HB2 TRP A 53 0.412 12.549 -4.567 1.00 0.00 H new ATOM 0 HB3 TRP A 53 0.252 12.084 -2.885 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -2.467 10.643 -5.314 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -2.309 8.017 -5.326 1.00 0.00 H new ATOM 0 HE3 TRP A 53 2.138 10.298 -3.085 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -0.366 6.155 -4.355 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 3.056 8.060 -2.590 1.00 0.00 H new ATOM 0 HH2 TRP A 53 1.818 6.016 -3.206 1.00 0.00 H new ATOM 829 N ASP A 54 -3.902 12.856 -3.541 1.00 0.00 N ATOM 830 CA ASP A 54 -5.218 12.418 -2.978 1.00 0.00 C ATOM 831 C ASP A 54 -5.965 11.279 -3.777 1.00 0.00 C ATOM 832 O ASP A 54 -7.191 11.154 -3.722 1.00 0.00 O ATOM 833 CB ASP A 54 -6.092 13.704 -2.918 1.00 0.00 C ATOM 834 CG ASP A 54 -7.001 13.828 -1.705 1.00 0.00 C ATOM 835 OD1 ASP A 54 -7.325 12.813 -1.050 1.00 0.00 O ATOM 836 OD2 ASP A 54 -7.374 14.982 -1.387 1.00 0.00 O ATOM 0 H ASP A 54 -3.989 13.428 -4.381 1.00 0.00 H new ATOM 0 HA ASP A 54 -5.039 11.959 -2.006 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -5.432 14.571 -2.945 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -6.708 13.745 -3.816 1.00 0.00 H new ATOM 841 N TYR A 55 -5.236 10.490 -4.572 1.00 0.00 N ATOM 842 CA TYR A 55 -5.728 10.094 -5.919 1.00 0.00 C ATOM 843 C TYR A 55 -5.729 8.545 -6.083 1.00 0.00 C ATOM 844 O TYR A 55 -4.789 7.849 -5.681 1.00 0.00 O ATOM 845 CB TYR A 55 -4.879 10.744 -7.060 1.00 0.00 C ATOM 846 CG TYR A 55 -4.653 12.274 -7.001 1.00 0.00 C ATOM 847 CD1 TYR A 55 -5.698 13.179 -6.729 1.00 0.00 C ATOM 848 CD2 TYR A 55 -3.349 12.779 -7.099 1.00 0.00 C ATOM 849 CE1 TYR A 55 -5.424 14.522 -6.449 1.00 0.00 C ATOM 850 CE2 TYR A 55 -3.082 14.126 -6.836 1.00 0.00 C ATOM 851 CZ TYR A 55 -4.111 14.985 -6.466 1.00 0.00 C ATOM 852 OH TYR A 55 -3.816 16.224 -5.977 1.00 0.00 O ATOM 0 H TYR A 55 -4.321 10.113 -4.325 1.00 0.00 H new ATOM 0 HA TYR A 55 -6.751 10.460 -6.002 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -3.902 10.260 -7.070 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -5.359 10.512 -8.010 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -6.721 12.832 -6.737 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -2.541 12.120 -7.381 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -6.232 15.201 -6.219 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -2.073 14.501 -6.921 1.00 0.00 H new ATOM 0 HH TYR A 55 -2.954 16.195 -5.511 1.00 0.00 H new ATOM 862 N THR A 56 -6.796 8.026 -6.702 1.00 0.00 N ATOM 863 CA THR A 56 -7.055 6.571 -6.772 1.00 0.00 C ATOM 864 C THR A 56 -6.274 5.899 -7.943 1.00 0.00 C ATOM 865 O THR A 56 -6.570 6.151 -9.116 1.00 0.00 O ATOM 866 CB THR A 56 -8.601 6.330 -6.964 1.00 0.00 C ATOM 867 OG1 THR A 56 -9.432 7.151 -6.145 1.00 0.00 O ATOM 868 CG2 THR A 56 -9.012 4.889 -6.671 1.00 0.00 C ATOM 0 H THR A 56 -7.504 8.593 -7.168 1.00 0.00 H new ATOM 0 HA THR A 56 -6.711 6.120 -5.841 1.00 0.00 H new ATOM 0 HB THR A 56 -8.753 6.585 -8.013 1.00 0.00 H new ATOM 0 HG1 THR A 56 -8.877 7.643 -5.505 1.00 0.00 H new ATOM 0 HG21 THR A 56 -10.086 4.780 -6.819 1.00 0.00 H new ATOM 0 HG22 THR A 56 -8.483 4.215 -7.345 1.00 0.00 H new ATOM 0 HG23 THR A 56 -8.761 4.642 -5.640 1.00 0.00 H new ATOM 876 N SER A 57 -5.354 4.974 -7.634 1.00 0.00 N ATOM 877 CA SER A 57 -4.950 3.931 -8.612 1.00 0.00 C ATOM 878 C SER A 57 -5.973 2.757 -8.650 1.00 0.00 C ATOM 879 O SER A 57 -6.537 2.375 -7.619 1.00 0.00 O ATOM 880 CB SER A 57 -3.509 3.443 -8.313 1.00 0.00 C ATOM 881 OG SER A 57 -3.419 2.454 -7.290 1.00 0.00 O ATOM 0 H SER A 57 -4.878 4.919 -6.734 1.00 0.00 H new ATOM 0 HA SER A 57 -4.951 4.373 -9.608 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.078 3.040 -9.229 1.00 0.00 H new ATOM 0 HB3 SER A 57 -2.901 4.301 -8.026 1.00 0.00 H new ATOM 0 HG SER A 57 -3.821 1.618 -7.607 1.00 0.00 H new ATOM 887 N THR A 58 -6.183 2.180 -9.836 1.00 0.00 N ATOM 888 CA THR A 58 -6.993 0.937 -10.007 1.00 0.00 C ATOM 889 C THR A 58 -6.470 0.093 -11.218 1.00 0.00 C ATOM 890 O THR A 58 -5.463 0.416 -11.858 1.00 0.00 O ATOM 891 CB THR A 58 -8.514 1.255 -9.990 1.00 0.00 C ATOM 892 OG1 THR A 58 -9.257 0.042 -9.880 1.00 0.00 O ATOM 893 CG2 THR A 58 -9.073 2.010 -11.185 1.00 0.00 C ATOM 0 H THR A 58 -5.805 2.547 -10.710 1.00 0.00 H new ATOM 0 HA THR A 58 -6.857 0.278 -9.150 1.00 0.00 H new ATOM 0 HB THR A 58 -8.621 1.920 -9.133 1.00 0.00 H new ATOM 0 HG1 THR A 58 -10.216 0.245 -9.868 1.00 0.00 H new ATOM 0 HG21 THR A 58 -10.143 2.167 -11.048 1.00 0.00 H new ATOM 0 HG22 THR A 58 -8.573 2.974 -11.272 1.00 0.00 H new ATOM 0 HG23 THR A 58 -8.905 1.430 -12.093 1.00 0.00 H new ATOM 901 N GLN A 59 -7.185 -1.003 -11.519 1.00 0.00 N ATOM 902 CA GLN A 59 -6.947 -1.856 -12.717 1.00 0.00 C ATOM 903 C GLN A 59 -5.659 -2.741 -12.658 1.00 0.00 C ATOM 904 O GLN A 59 -4.889 -2.724 -11.694 1.00 0.00 O ATOM 905 CB GLN A 59 -7.168 -1.071 -14.046 1.00 0.00 C ATOM 906 CG GLN A 59 -8.518 -1.337 -14.746 1.00 0.00 C ATOM 907 CD GLN A 59 -8.700 -2.713 -15.376 1.00 0.00 C ATOM 908 OE1 GLN A 59 -7.830 -3.580 -15.383 1.00 0.00 O ATOM 909 NE2 GLN A 59 -9.856 -2.968 -15.936 1.00 0.00 N ATOM 0 H GLN A 59 -7.955 -1.334 -10.937 1.00 0.00 H new ATOM 0 HA GLN A 59 -7.727 -2.618 -12.701 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -7.088 -0.004 -13.837 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -6.363 -1.322 -14.736 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -9.315 -1.188 -14.017 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -8.652 -0.585 -15.524 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -10.589 -2.259 -15.939 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -10.023 -3.876 -16.370 1.00 0.00 H new ATOM 918 N ARG A 60 -5.471 -3.578 -13.686 1.00 0.00 N ATOM 919 CA ARG A 60 -4.348 -4.544 -13.750 1.00 0.00 C ATOM 920 C ARG A 60 -2.998 -3.881 -14.132 1.00 0.00 C ATOM 921 O ARG A 60 -2.731 -3.616 -15.309 1.00 0.00 O ATOM 922 CB ARG A 60 -4.782 -5.658 -14.747 1.00 0.00 C ATOM 923 CG ARG A 60 -3.831 -6.871 -14.831 1.00 0.00 C ATOM 924 CD ARG A 60 -3.212 -7.143 -16.214 1.00 0.00 C ATOM 925 NE ARG A 60 -2.165 -6.139 -16.531 1.00 0.00 N ATOM 926 CZ ARG A 60 -1.311 -6.198 -17.543 1.00 0.00 C ATOM 927 NH1 ARG A 60 -1.361 -7.111 -18.479 1.00 0.00 N ATOM 928 NH2 ARG A 60 -0.376 -5.300 -17.615 1.00 0.00 N ATOM 0 H ARG A 60 -6.087 -3.611 -14.499 1.00 0.00 H new ATOM 0 HA ARG A 60 -4.154 -4.968 -12.765 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -5.773 -6.012 -14.462 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -4.874 -5.219 -15.740 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -3.023 -6.725 -14.114 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -4.378 -7.760 -14.518 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -2.780 -8.144 -16.233 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -3.990 -7.117 -16.977 1.00 0.00 H new ATOM 0 HE ARG A 60 -2.097 -5.330 -15.914 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -2.086 -7.828 -18.454 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -0.675 -7.105 -19.234 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -0.312 -4.572 -16.903 1.00 0.00 H new ATOM 0 HH22 ARG A 60 0.294 -5.322 -18.383 1.00 0.00 H new ATOM 942 N VAL A 61 -2.100 -3.717 -13.151 1.00 0.00 N ATOM 943 CA VAL A 61 -0.685 -3.325 -13.420 1.00 0.00 C ATOM 944 C VAL A 61 0.145 -4.422 -14.159 1.00 0.00 C ATOM 945 O VAL A 61 0.662 -4.139 -15.242 1.00 0.00 O ATOM 946 CB VAL A 61 -0.042 -2.696 -12.150 1.00 0.00 C ATOM 947 CG1 VAL A 61 0.318 -3.658 -11.013 1.00 0.00 C ATOM 948 CG2 VAL A 61 1.209 -1.862 -12.501 1.00 0.00 C ATOM 0 H VAL A 61 -2.315 -3.846 -12.162 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.680 -2.528 -14.163 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.847 -2.069 -11.766 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.757 -3.098 -10.188 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.582 -4.166 -10.668 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.035 -4.395 -11.374 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.631 -1.438 -11.590 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.950 -2.502 -12.981 1.00 0.00 H new ATOM 0 HG23 VAL A 61 0.930 -1.057 -13.180 1.00 0.00 H new ATOM 958 N ASP A 62 0.212 -5.651 -13.625 1.00 0.00 N ATOM 959 CA ASP A 62 1.053 -6.746 -14.175 1.00 0.00 C ATOM 960 C ASP A 62 0.231 -8.070 -14.397 1.00 0.00 C ATOM 961 O ASP A 62 -0.921 -8.239 -13.985 1.00 0.00 O ATOM 962 CB ASP A 62 2.234 -6.893 -13.177 1.00 0.00 C ATOM 963 CG ASP A 62 3.380 -7.773 -13.659 1.00 0.00 C ATOM 964 OD1 ASP A 62 3.300 -9.008 -13.471 1.00 0.00 O ATOM 965 OD2 ASP A 62 4.322 -7.256 -14.289 1.00 0.00 O ATOM 0 H ASP A 62 -0.315 -5.923 -12.795 1.00 0.00 H new ATOM 0 HA ASP A 62 1.428 -6.518 -15.173 1.00 0.00 H new ATOM 0 HB2 ASP A 62 2.627 -5.901 -12.954 1.00 0.00 H new ATOM 0 HB3 ASP A 62 1.851 -7.302 -12.242 1.00 0.00 H new ATOM 970 N ARG A 63 0.894 -9.032 -15.053 1.00 0.00 N ATOM 971 CA ARG A 63 0.475 -10.462 -15.052 1.00 0.00 C ATOM 972 C ARG A 63 0.397 -11.153 -13.641 1.00 0.00 C ATOM 973 O ARG A 63 -0.530 -11.936 -13.422 1.00 0.00 O ATOM 974 CB ARG A 63 1.469 -11.185 -15.996 1.00 0.00 C ATOM 975 CG ARG A 63 1.045 -12.570 -16.524 1.00 0.00 C ATOM 976 CD ARG A 63 0.135 -12.478 -17.762 1.00 0.00 C ATOM 977 NE ARG A 63 -0.118 -13.840 -18.291 1.00 0.00 N ATOM 978 CZ ARG A 63 -0.492 -14.135 -19.533 1.00 0.00 C ATOM 979 NH1 ARG A 63 -0.738 -13.242 -20.457 1.00 0.00 N ATOM 980 NH2 ARG A 63 -0.621 -15.391 -19.842 1.00 0.00 N ATOM 0 H ARG A 63 1.735 -8.853 -15.601 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.559 -10.526 -15.392 1.00 0.00 H new ATOM 0 HB2 ARG A 63 1.656 -10.538 -16.853 1.00 0.00 H new ATOM 0 HB3 ARG A 63 2.417 -11.298 -15.469 1.00 0.00 H new ATOM 0 HG2 ARG A 63 1.935 -13.148 -16.774 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.525 -13.112 -15.734 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -0.807 -11.997 -17.499 1.00 0.00 H new ATOM 0 HD3 ARG A 63 0.605 -11.860 -18.527 1.00 0.00 H new ATOM 0 HE ARG A 63 0.006 -14.620 -17.645 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -0.646 -12.249 -20.244 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -1.021 -13.539 -21.391 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -0.437 -16.110 -19.142 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -0.906 -15.658 -20.784 1.00 0.00 H new ATOM 994 N LEU A 64 1.339 -10.877 -12.715 1.00 0.00 N ATOM 995 CA LEU A 64 1.208 -11.266 -11.284 1.00 0.00 C ATOM 996 C LEU A 64 0.321 -10.326 -10.412 1.00 0.00 C ATOM 997 O LEU A 64 -0.595 -10.818 -9.746 1.00 0.00 O ATOM 998 CB LEU A 64 2.598 -11.598 -10.679 1.00 0.00 C ATOM 999 CG LEU A 64 3.598 -10.447 -10.435 1.00 0.00 C ATOM 1000 CD1 LEU A 64 3.647 -10.050 -8.954 1.00 0.00 C ATOM 1001 CD2 LEU A 64 5.017 -10.829 -10.890 1.00 0.00 C ATOM 0 H LEU A 64 2.206 -10.383 -12.929 1.00 0.00 H new ATOM 0 HA LEU A 64 0.622 -12.185 -11.267 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.432 -12.098 -9.725 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.081 -12.320 -11.338 1.00 0.00 H new ATOM 0 HG LEU A 64 3.245 -9.601 -11.024 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.361 -9.237 -8.819 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.659 -9.722 -8.632 1.00 0.00 H new ATOM 0 HD13 LEU A 64 3.957 -10.908 -8.357 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.695 -9.996 -10.704 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.355 -11.703 -10.333 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.008 -11.058 -11.956 1.00 0.00 H new ATOM 1013 N ALA A 65 0.573 -9.005 -10.423 1.00 0.00 N ATOM 1014 CA ALA A 65 -0.204 -8.021 -9.633 1.00 0.00 C ATOM 1015 C ALA A 65 -1.450 -7.521 -10.414 1.00 0.00 C ATOM 1016 O ALA A 65 -1.389 -6.611 -11.247 1.00 0.00 O ATOM 1017 CB ALA A 65 0.759 -6.896 -9.234 1.00 0.00 C ATOM 0 H ALA A 65 1.319 -8.585 -10.978 1.00 0.00 H new ATOM 0 HA ALA A 65 -0.611 -8.476 -8.730 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.223 -6.149 -8.649 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.573 -7.308 -8.638 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.166 -6.430 -10.131 1.00 0.00 H new ATOM 1023 N ARG A 66 -2.582 -8.185 -10.149 1.00 0.00 N ATOM 1024 CA ARG A 66 -3.782 -8.100 -11.024 1.00 0.00 C ATOM 1025 C ARG A 66 -4.825 -6.974 -10.728 1.00 0.00 C ATOM 1026 O ARG A 66 -5.628 -6.692 -11.620 1.00 0.00 O ATOM 1027 CB ARG A 66 -4.473 -9.497 -11.025 1.00 0.00 C ATOM 1028 CG ARG A 66 -3.667 -10.567 -11.793 1.00 0.00 C ATOM 1029 CD ARG A 66 -4.289 -11.964 -11.682 1.00 0.00 C ATOM 1030 NE ARG A 66 -3.503 -12.923 -12.498 1.00 0.00 N ATOM 1031 CZ ARG A 66 -3.700 -13.193 -13.783 1.00 0.00 C ATOM 1032 NH1 ARG A 66 -4.693 -12.715 -14.489 1.00 0.00 N ATOM 1033 NH2 ARG A 66 -2.847 -13.977 -14.368 1.00 0.00 N ATOM 0 H ARG A 66 -2.703 -8.791 -9.337 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.400 -7.807 -12.002 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -4.616 -9.827 -9.996 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -5.463 -9.406 -11.471 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -3.603 -10.284 -12.844 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -2.648 -10.595 -11.408 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -4.305 -12.285 -10.640 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.323 -11.941 -12.025 1.00 0.00 H new ATOM 0 HE ARG A 66 -2.744 -13.419 -12.030 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -5.375 -12.094 -14.054 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -4.785 -12.964 -15.474 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -2.062 -14.360 -13.841 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -2.962 -14.210 -15.354 1.00 0.00 H new ATOM 1047 N THR A 67 -4.840 -6.356 -9.540 1.00 0.00 N ATOM 1048 CA THR A 67 -5.789 -5.267 -9.202 1.00 0.00 C ATOM 1049 C THR A 67 -5.041 -4.225 -8.302 1.00 0.00 C ATOM 1050 O THR A 67 -4.764 -4.512 -7.130 1.00 0.00 O ATOM 1051 CB THR A 67 -7.044 -5.788 -8.437 1.00 0.00 C ATOM 1052 OG1 THR A 67 -6.679 -6.463 -7.231 1.00 0.00 O ATOM 1053 CG2 THR A 67 -7.962 -6.702 -9.240 1.00 0.00 C ATOM 0 H THR A 67 -4.199 -6.590 -8.782 1.00 0.00 H new ATOM 0 HA THR A 67 -6.136 -4.819 -10.133 1.00 0.00 H new ATOM 0 HB THR A 67 -7.608 -4.880 -8.223 1.00 0.00 H new ATOM 0 HG1 THR A 67 -5.883 -6.039 -6.847 1.00 0.00 H new ATOM 0 HG21 THR A 67 -8.804 -7.009 -8.619 1.00 0.00 H new ATOM 0 HG22 THR A 67 -8.333 -6.168 -10.115 1.00 0.00 H new ATOM 0 HG23 THR A 67 -7.407 -7.584 -9.561 1.00 0.00 H new ATOM 1061 N GLU A 68 -4.736 -3.043 -8.845 1.00 0.00 N ATOM 1062 CA GLU A 68 -3.820 -2.062 -8.182 1.00 0.00 C ATOM 1063 C GLU A 68 -4.589 -0.943 -7.419 1.00 0.00 C ATOM 1064 O GLU A 68 -4.505 0.240 -7.760 1.00 0.00 O ATOM 1065 CB GLU A 68 -2.919 -1.565 -9.346 1.00 0.00 C ATOM 1066 CG GLU A 68 -1.690 -0.719 -8.988 1.00 0.00 C ATOM 1067 CD GLU A 68 -0.527 -1.412 -8.306 1.00 0.00 C ATOM 1068 OE1 GLU A 68 -0.645 -2.557 -7.829 1.00 0.00 O ATOM 1069 OE2 GLU A 68 0.530 -0.757 -8.168 1.00 0.00 O ATOM 0 H GLU A 68 -5.102 -2.726 -9.743 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.221 -2.498 -7.382 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -2.575 -2.439 -9.900 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -3.541 -0.982 -10.025 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -1.317 -0.265 -9.906 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -2.020 0.094 -8.342 1.00 0.00 H new ATOM 1076 N ILE A 69 -5.337 -1.323 -6.365 1.00 0.00 N ATOM 1077 CA ILE A 69 -6.372 -0.433 -5.753 1.00 0.00 C ATOM 1078 C ILE A 69 -5.740 0.436 -4.613 1.00 0.00 C ATOM 1079 O ILE A 69 -5.552 -0.064 -3.502 1.00 0.00 O ATOM 1080 CB ILE A 69 -7.658 -1.172 -5.198 1.00 0.00 C ATOM 1081 CG1 ILE A 69 -8.128 -2.443 -5.952 1.00 0.00 C ATOM 1082 CG2 ILE A 69 -8.842 -0.159 -5.165 1.00 0.00 C ATOM 1083 CD1 ILE A 69 -7.588 -3.729 -5.314 1.00 0.00 C ATOM 0 H ILE A 69 -5.253 -2.234 -5.913 1.00 0.00 H new ATOM 0 HA ILE A 69 -6.721 0.191 -6.576 1.00 0.00 H new ATOM 0 HB ILE A 69 -7.356 -1.530 -4.214 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -9.217 -2.475 -5.963 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -7.800 -2.389 -6.990 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -9.735 -0.655 -4.784 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -8.587 0.678 -4.515 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -9.033 0.210 -6.173 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -7.944 -4.592 -5.877 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -6.498 -3.712 -5.327 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -7.937 -3.799 -4.284 1.00 0.00 H new ATOM 1095 N LYS A 70 -5.393 1.707 -4.880 1.00 0.00 N ATOM 1096 CA LYS A 70 -4.669 2.551 -3.893 1.00 0.00 C ATOM 1097 C LYS A 70 -5.120 4.036 -4.009 1.00 0.00 C ATOM 1098 O LYS A 70 -4.573 4.799 -4.810 1.00 0.00 O ATOM 1099 CB LYS A 70 -3.117 2.448 -4.022 1.00 0.00 C ATOM 1100 CG LYS A 70 -2.539 1.095 -3.603 1.00 0.00 C ATOM 1101 CD LYS A 70 -1.067 0.866 -3.943 1.00 0.00 C ATOM 1102 CE LYS A 70 -0.789 0.677 -5.434 1.00 0.00 C ATOM 1103 NZ LYS A 70 0.441 -0.136 -5.617 1.00 0.00 N ATOM 0 H LYS A 70 -5.597 2.177 -5.762 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.930 2.166 -2.907 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.836 2.645 -5.057 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.661 3.229 -3.414 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.665 0.985 -2.526 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.128 0.308 -4.074 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -0.486 1.715 -3.582 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -0.714 -0.014 -3.405 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -1.636 0.185 -5.912 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -0.670 1.647 -5.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 0.693 -0.163 -6.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 1.221 0.289 -5.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 0.271 -1.104 -5.277 1.00 0.00 H new ATOM 1117 N ASN A 71 -6.063 4.459 -3.152 1.00 0.00 N ATOM 1118 CA ASN A 71 -6.270 5.906 -2.858 1.00 0.00 C ATOM 1119 C ASN A 71 -5.493 6.319 -1.561 1.00 0.00 C ATOM 1120 O ASN A 71 -6.064 6.470 -0.473 1.00 0.00 O ATOM 1121 CB ASN A 71 -7.787 6.202 -2.768 1.00 0.00 C ATOM 1122 CG ASN A 71 -8.123 7.678 -2.963 1.00 0.00 C ATOM 1123 OD1 ASN A 71 -8.460 8.102 -4.061 1.00 0.00 O ATOM 1124 ND2 ASN A 71 -8.021 8.511 -1.956 1.00 0.00 N ATOM 0 H ASN A 71 -6.694 3.835 -2.649 1.00 0.00 H new ATOM 0 HA ASN A 71 -5.864 6.513 -3.668 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -8.311 5.614 -3.522 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -8.157 5.877 -1.796 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -8.222 9.502 -2.091 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -7.741 8.168 -1.037 1.00 0.00 H new ATOM 1131 N PHE A 72 -4.181 6.526 -1.703 1.00 0.00 N ATOM 1132 CA PHE A 72 -3.298 6.923 -0.571 1.00 0.00 C ATOM 1133 C PHE A 72 -3.246 8.468 -0.470 1.00 0.00 C ATOM 1134 O PHE A 72 -2.434 9.105 -1.146 1.00 0.00 O ATOM 1135 CB PHE A 72 -1.936 6.250 -0.866 1.00 0.00 C ATOM 1136 CG PHE A 72 -0.836 6.400 0.195 1.00 0.00 C ATOM 1137 CD1 PHE A 72 -0.814 5.583 1.334 1.00 0.00 C ATOM 1138 CD2 PHE A 72 0.241 7.269 -0.022 1.00 0.00 C ATOM 1139 CE1 PHE A 72 0.277 5.593 2.204 1.00 0.00 C ATOM 1140 CE2 PHE A 72 1.331 7.291 0.851 1.00 0.00 C ATOM 1141 CZ PHE A 72 1.354 6.439 1.952 1.00 0.00 C ATOM 0 H PHE A 72 -3.691 6.428 -2.592 1.00 0.00 H new ATOM 0 HA PHE A 72 -3.652 6.596 0.407 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -2.112 5.186 -1.023 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -1.557 6.652 -1.805 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -1.654 4.936 1.541 1.00 0.00 H new ATOM 0 HD2 PHE A 72 0.228 7.931 -0.876 1.00 0.00 H new ATOM 0 HE1 PHE A 72 0.286 4.947 3.069 1.00 0.00 H new ATOM 0 HE2 PHE A 72 2.154 7.967 0.672 1.00 0.00 H new ATOM 0 HZ PHE A 72 2.209 6.434 2.612 1.00 0.00 H new ATOM 1151 N THR A 73 -4.109 9.063 0.379 1.00 0.00 N ATOM 1152 CA THR A 73 -4.149 10.543 0.558 1.00 0.00 C ATOM 1153 C THR A 73 -2.951 11.017 1.429 1.00 0.00 C ATOM 1154 O THR A 73 -2.960 10.903 2.658 1.00 0.00 O ATOM 1155 CB THR A 73 -5.535 11.028 1.057 1.00 0.00 C ATOM 1156 OG1 THR A 73 -6.512 10.782 0.050 1.00 0.00 O ATOM 1157 CG2 THR A 73 -5.592 12.529 1.330 1.00 0.00 C ATOM 0 H THR A 73 -4.784 8.554 0.950 1.00 0.00 H new ATOM 0 HA THR A 73 -4.026 11.021 -0.414 1.00 0.00 H new ATOM 0 HB THR A 73 -5.721 10.485 1.984 1.00 0.00 H new ATOM 0 HG1 THR A 73 -6.528 11.532 -0.581 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.590 12.798 1.676 1.00 0.00 H new ATOM 0 HG22 THR A 73 -4.861 12.788 2.096 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.366 13.074 0.414 1.00 0.00 H new ATOM 1165 N VAL A 74 -1.929 11.550 0.759 1.00 0.00 N ATOM 1166 CA VAL A 74 -0.640 11.929 1.389 1.00 0.00 C ATOM 1167 C VAL A 74 -0.311 13.410 1.086 1.00 0.00 C ATOM 1168 O VAL A 74 -0.262 13.848 -0.068 1.00 0.00 O ATOM 1169 CB VAL A 74 0.489 10.925 1.026 1.00 0.00 C ATOM 1170 CG1 VAL A 74 0.773 10.761 -0.466 1.00 0.00 C ATOM 1171 CG2 VAL A 74 1.833 11.291 1.692 1.00 0.00 C ATOM 0 H VAL A 74 -1.961 11.737 -0.243 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.730 11.858 2.473 1.00 0.00 H new ATOM 0 HB VAL A 74 0.089 9.984 1.404 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.577 10.039 -0.606 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -0.126 10.406 -0.971 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.071 11.721 -0.887 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.590 10.560 1.408 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.144 12.283 1.363 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.715 11.289 2.776 1.00 0.00 H new ATOM 1181 N PHE A 75 -0.058 14.157 2.160 1.00 0.00 N ATOM 1182 CA PHE A 75 0.163 15.615 2.099 1.00 0.00 C ATOM 1183 C PHE A 75 1.656 15.962 1.879 1.00 0.00 C ATOM 1184 O PHE A 75 2.557 15.384 2.494 1.00 0.00 O ATOM 1185 CB PHE A 75 -0.421 16.260 3.386 1.00 0.00 C ATOM 1186 CG PHE A 75 -1.962 16.345 3.350 1.00 0.00 C ATOM 1187 CD1 PHE A 75 -2.761 15.294 3.834 1.00 0.00 C ATOM 1188 CD2 PHE A 75 -2.588 17.445 2.747 1.00 0.00 C ATOM 1189 CE1 PHE A 75 -4.150 15.348 3.713 1.00 0.00 C ATOM 1190 CE2 PHE A 75 -3.976 17.492 2.616 1.00 0.00 C ATOM 1191 CZ PHE A 75 -4.755 16.445 3.101 1.00 0.00 C ATOM 0 H PHE A 75 0.001 13.774 3.103 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.357 16.029 1.235 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -0.111 15.678 4.254 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -0.007 17.261 3.509 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -2.296 14.439 4.303 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -1.989 18.265 2.380 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -4.757 14.540 4.094 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -4.446 18.339 2.139 1.00 0.00 H new ATOM 0 HZ PHE A 75 -5.830 16.483 3.003 1.00 0.00 H new ATOM 1201 N PHE A 76 1.884 16.925 0.988 1.00 0.00 N ATOM 1202 CA PHE A 76 3.229 17.457 0.679 1.00 0.00 C ATOM 1203 C PHE A 76 3.175 19.020 0.763 1.00 0.00 C ATOM 1204 O PHE A 76 2.168 19.634 0.383 1.00 0.00 O ATOM 1205 CB PHE A 76 3.678 17.070 -0.761 1.00 0.00 C ATOM 1206 CG PHE A 76 3.690 15.574 -1.095 1.00 0.00 C ATOM 1207 CD1 PHE A 76 4.556 14.675 -0.450 1.00 0.00 C ATOM 1208 CD2 PHE A 76 2.796 15.076 -2.051 1.00 0.00 C ATOM 1209 CE1 PHE A 76 4.487 13.309 -0.724 1.00 0.00 C ATOM 1210 CE2 PHE A 76 2.757 13.716 -2.352 1.00 0.00 C ATOM 1211 CZ PHE A 76 3.592 12.832 -1.678 1.00 0.00 C ATOM 0 H PHE A 76 1.140 17.369 0.450 1.00 0.00 H new ATOM 0 HA PHE A 76 3.936 17.036 1.394 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.020 17.573 -1.470 1.00 0.00 H new ATOM 0 HB3 PHE A 76 4.681 17.464 -0.923 1.00 0.00 H new ATOM 0 HD1 PHE A 76 5.279 15.044 0.262 1.00 0.00 H new ATOM 0 HD2 PHE A 76 2.128 15.754 -2.561 1.00 0.00 H new ATOM 0 HE1 PHE A 76 5.129 12.620 -0.195 1.00 0.00 H new ATOM 0 HE2 PHE A 76 2.079 13.349 -3.108 1.00 0.00 H new ATOM 0 HZ PHE A 76 3.546 11.775 -1.894 1.00 0.00 H new ATOM 1221 N GLU A 77 4.281 19.659 1.171 1.00 0.00 N ATOM 1222 CA GLU A 77 4.494 21.108 0.839 1.00 0.00 C ATOM 1223 C GLU A 77 4.828 21.331 -0.674 1.00 0.00 C ATOM 1224 O GLU A 77 4.052 21.948 -1.407 1.00 0.00 O ATOM 1225 CB GLU A 77 5.411 21.824 1.854 1.00 0.00 C ATOM 1226 CG GLU A 77 6.768 21.233 2.253 1.00 0.00 C ATOM 1227 CD GLU A 77 7.890 21.289 1.240 1.00 0.00 C ATOM 1228 OE1 GLU A 77 8.556 22.335 1.120 1.00 0.00 O ATOM 1229 OE2 GLU A 77 8.110 20.269 0.549 1.00 0.00 O ATOM 0 H GLU A 77 5.029 19.228 1.714 1.00 0.00 H new ATOM 0 HA GLU A 77 3.541 21.622 0.965 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.602 22.823 1.461 1.00 0.00 H new ATOM 0 HB3 GLU A 77 4.835 21.947 2.771 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.105 21.747 3.154 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.612 20.188 2.522 1.00 0.00 H new ATOM 1236 N ASN A 78 5.940 20.757 -1.120 1.00 0.00 N ATOM 1237 CA ASN A 78 6.332 20.643 -2.540 1.00 0.00 C ATOM 1238 C ASN A 78 6.941 19.218 -2.747 1.00 0.00 C ATOM 1239 O ASN A 78 6.313 18.387 -3.406 1.00 0.00 O ATOM 1240 CB ASN A 78 7.245 21.840 -2.872 1.00 0.00 C ATOM 1241 CG ASN A 78 7.694 21.949 -4.317 1.00 0.00 C ATOM 1242 OD1 ASN A 78 6.981 21.625 -5.262 1.00 0.00 O ATOM 1243 ND2 ASN A 78 8.882 22.456 -4.534 1.00 0.00 N ATOM 0 H ASN A 78 6.624 20.340 -0.489 1.00 0.00 H new ATOM 0 HA ASN A 78 5.506 20.710 -3.248 1.00 0.00 H new ATOM 0 HB2 ASN A 78 6.721 22.757 -2.604 1.00 0.00 H new ATOM 0 HB3 ASN A 78 8.131 21.783 -2.240 1.00 0.00 H new ATOM 0 HD21 ASN A 78 9.216 22.582 -5.490 1.00 0.00 H new ATOM 0 HD22 ASN A 78 9.473 22.725 -3.747 1.00 0.00 H new ATOM 1250 N GLU A 79 8.116 18.932 -2.154 1.00 0.00 N ATOM 1251 CA GLU A 79 8.651 17.552 -2.053 1.00 0.00 C ATOM 1252 C GLU A 79 8.434 16.880 -0.660 1.00 0.00 C ATOM 1253 O GLU A 79 8.081 15.697 -0.645 1.00 0.00 O ATOM 1254 CB GLU A 79 10.152 17.513 -2.455 1.00 0.00 C ATOM 1255 CG GLU A 79 10.434 17.461 -3.971 1.00 0.00 C ATOM 1256 CD GLU A 79 10.093 16.174 -4.709 1.00 0.00 C ATOM 1257 OE1 GLU A 79 10.158 15.068 -4.130 1.00 0.00 O ATOM 1258 OE2 GLU A 79 9.742 16.261 -5.905 1.00 0.00 O ATOM 0 H GLU A 79 8.719 19.640 -1.734 1.00 0.00 H new ATOM 0 HA GLU A 79 8.069 16.959 -2.759 1.00 0.00 H new ATOM 0 HB2 GLU A 79 10.643 18.394 -2.042 1.00 0.00 H new ATOM 0 HB3 GLU A 79 10.613 16.643 -1.988 1.00 0.00 H new ATOM 0 HG2 GLU A 79 9.883 18.275 -4.443 1.00 0.00 H new ATOM 0 HG3 GLU A 79 11.494 17.664 -4.122 1.00 0.00 H new ATOM 1265 N GLN A 80 8.691 17.544 0.491 1.00 0.00 N ATOM 1266 CA GLN A 80 8.820 16.817 1.786 1.00 0.00 C ATOM 1267 C GLN A 80 7.460 16.423 2.399 1.00 0.00 C ATOM 1268 O GLN A 80 6.484 17.185 2.376 1.00 0.00 O ATOM 1269 CB GLN A 80 9.829 17.500 2.732 1.00 0.00 C ATOM 1270 CG GLN A 80 9.419 18.727 3.550 1.00 0.00 C ATOM 1271 CD GLN A 80 8.779 18.452 4.904 1.00 0.00 C ATOM 1272 OE1 GLN A 80 9.452 18.254 5.909 1.00 0.00 O ATOM 1273 NE2 GLN A 80 7.471 18.434 5.001 1.00 0.00 N ATOM 0 H GLN A 80 8.811 18.555 0.556 1.00 0.00 H new ATOM 0 HA GLN A 80 9.271 15.846 1.582 1.00 0.00 H new ATOM 0 HB2 GLN A 80 10.172 16.743 3.437 1.00 0.00 H new ATOM 0 HB3 GLN A 80 10.691 17.788 2.130 1.00 0.00 H new ATOM 0 HG2 GLN A 80 10.304 19.344 3.709 1.00 0.00 H new ATOM 0 HG3 GLN A 80 8.722 19.317 2.955 1.00 0.00 H new ATOM 0 HE21 GLN A 80 6.896 18.597 4.174 1.00 0.00 H new ATOM 0 HE22 GLN A 80 7.029 18.257 5.903 1.00 0.00 H new ATOM 1282 N VAL A 81 7.402 15.199 2.935 1.00 0.00 N ATOM 1283 CA VAL A 81 6.115 14.512 3.210 1.00 0.00 C ATOM 1284 C VAL A 81 5.583 14.880 4.634 1.00 0.00 C ATOM 1285 O VAL A 81 6.314 14.841 5.627 1.00 0.00 O ATOM 1286 CB VAL A 81 6.225 12.955 3.043 1.00 0.00 C ATOM 1287 CG1 VAL A 81 4.818 12.340 2.913 1.00 0.00 C ATOM 1288 CG2 VAL A 81 7.073 12.464 1.852 1.00 0.00 C ATOM 0 H VAL A 81 8.226 14.655 3.191 1.00 0.00 H new ATOM 0 HA VAL A 81 5.399 14.864 2.468 1.00 0.00 H new ATOM 0 HB VAL A 81 6.745 12.626 3.943 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.902 11.259 2.797 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.238 12.565 3.808 1.00 0.00 H new ATOM 0 HG13 VAL A 81 4.316 12.760 2.041 1.00 0.00 H new ATOM 0 HG21 VAL A 81 7.079 11.374 1.834 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.646 12.840 0.922 1.00 0.00 H new ATOM 0 HG23 VAL A 81 8.094 12.831 1.957 1.00 0.00 H new ATOM 1298 N VAL A 82 4.296 15.232 4.692 1.00 0.00 N ATOM 1299 CA VAL A 82 3.656 15.816 5.906 1.00 0.00 C ATOM 1300 C VAL A 82 2.911 14.694 6.696 1.00 0.00 C ATOM 1301 O VAL A 82 3.350 14.362 7.797 1.00 0.00 O ATOM 1302 CB VAL A 82 2.801 17.052 5.474 1.00 0.00 C ATOM 1303 CG1 VAL A 82 1.966 17.675 6.608 1.00 0.00 C ATOM 1304 CG2 VAL A 82 3.677 18.188 4.873 1.00 0.00 C ATOM 0 H VAL A 82 3.655 15.126 3.905 1.00 0.00 H new ATOM 0 HA VAL A 82 4.382 16.206 6.619 1.00 0.00 H new ATOM 0 HB VAL A 82 2.123 16.641 4.726 1.00 0.00 H new ATOM 0 HG11 VAL A 82 1.404 18.525 6.221 1.00 0.00 H new ATOM 0 HG12 VAL A 82 1.273 16.931 7.001 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.629 18.010 7.406 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.041 19.026 4.587 1.00 0.00 H new ATOM 0 HG22 VAL A 82 4.402 18.520 5.616 1.00 0.00 H new ATOM 0 HG23 VAL A 82 4.203 17.816 3.994 1.00 0.00 H new ATOM 1314 N ARG A 83 1.821 14.109 6.151 1.00 0.00 N ATOM 1315 CA ARG A 83 1.179 12.893 6.738 1.00 0.00 C ATOM 1316 C ARG A 83 0.326 12.122 5.684 1.00 0.00 C ATOM 1317 O ARG A 83 -0.292 12.724 4.797 1.00 0.00 O ATOM 1318 CB ARG A 83 0.403 13.173 8.053 1.00 0.00 C ATOM 1319 CG ARG A 83 -0.855 14.057 8.017 1.00 0.00 C ATOM 1320 CD ARG A 83 -2.205 13.317 8.059 1.00 0.00 C ATOM 1321 NE ARG A 83 -2.594 12.819 6.720 1.00 0.00 N ATOM 1322 CZ ARG A 83 -3.784 12.326 6.396 1.00 0.00 C ATOM 1323 NH1 ARG A 83 -4.727 12.069 7.264 1.00 0.00 N ATOM 1324 NH2 ARG A 83 -4.023 12.060 5.150 1.00 0.00 N ATOM 0 H ARG A 83 1.362 14.452 5.307 1.00 0.00 H new ATOM 0 HA ARG A 83 1.995 12.233 7.031 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.113 12.210 8.473 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.102 13.629 8.754 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.815 14.745 8.861 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -0.823 14.662 7.111 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -2.141 12.480 8.755 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -2.977 13.987 8.437 1.00 0.00 H new ATOM 0 HE ARG A 83 -1.889 12.858 5.984 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -4.569 12.247 8.256 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -5.620 11.690 6.949 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -3.305 12.230 4.445 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -4.929 11.681 4.874 1.00 0.00 H new ATOM 1338 N TRP A 84 0.225 10.797 5.845 1.00 0.00 N ATOM 1339 CA TRP A 84 -0.486 9.897 4.903 1.00 0.00 C ATOM 1340 C TRP A 84 -1.644 9.090 5.563 1.00 0.00 C ATOM 1341 O TRP A 84 -1.439 8.400 6.565 1.00 0.00 O ATOM 1342 CB TRP A 84 0.485 8.935 4.180 1.00 0.00 C ATOM 1343 CG TRP A 84 1.464 8.100 5.038 1.00 0.00 C ATOM 1344 CD1 TRP A 84 1.228 6.840 5.639 1.00 0.00 C ATOM 1345 CD2 TRP A 84 2.770 8.434 5.392 1.00 0.00 C ATOM 1346 NE1 TRP A 84 2.320 6.427 6.407 1.00 0.00 N ATOM 1347 CE2 TRP A 84 3.262 7.424 6.250 1.00 0.00 C ATOM 1348 CE3 TRP A 84 3.613 9.530 5.017 1.00 0.00 C ATOM 1349 CZ2 TRP A 84 4.589 7.519 6.771 1.00 0.00 C ATOM 1350 CZ3 TRP A 84 4.901 9.592 5.525 1.00 0.00 C ATOM 1351 CH2 TRP A 84 5.380 8.600 6.395 1.00 0.00 C ATOM 0 H TRP A 84 0.636 10.306 6.639 1.00 0.00 H new ATOM 0 HA TRP A 84 -0.939 10.562 4.167 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -0.113 8.242 3.588 1.00 0.00 H new ATOM 0 HB3 TRP A 84 1.076 9.524 3.479 1.00 0.00 H new ATOM 0 HD1 TRP A 84 0.319 6.270 5.519 1.00 0.00 H new ATOM 0 HE1 TRP A 84 2.403 5.575 6.962 1.00 0.00 H new ATOM 0 HE3 TRP A 84 3.250 10.297 4.348 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 4.971 6.766 7.444 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 5.544 10.414 5.248 1.00 0.00 H new ATOM 0 HH2 TRP A 84 6.386 8.678 6.781 1.00 0.00 H new ATOM 1362 N GLU A 85 -2.821 9.171 4.924 1.00 0.00 N ATOM 1363 CA GLU A 85 -3.998 8.317 5.203 1.00 0.00 C ATOM 1364 C GLU A 85 -5.190 8.743 4.268 1.00 0.00 C ATOM 1365 O GLU A 85 -5.673 9.881 4.339 1.00 0.00 O ATOM 1366 CB GLU A 85 -4.505 8.356 6.669 1.00 0.00 C ATOM 1367 CG GLU A 85 -5.574 7.300 7.008 1.00 0.00 C ATOM 1368 CD GLU A 85 -5.099 5.873 6.892 1.00 0.00 C ATOM 1369 OE1 GLU A 85 -4.462 5.382 7.842 1.00 0.00 O ATOM 1370 OE2 GLU A 85 -5.395 5.212 5.872 1.00 0.00 O ATOM 0 H GLU A 85 -2.990 9.847 4.179 1.00 0.00 H new ATOM 0 HA GLU A 85 -3.660 7.298 5.014 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -3.655 8.220 7.337 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -4.914 9.346 6.871 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -5.927 7.471 8.025 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -6.429 7.441 6.346 1.00 0.00 H new ATOM 1377 N GLY A 86 -5.696 7.776 3.497 1.00 0.00 N ATOM 1378 CA GLY A 86 -7.054 7.849 2.909 1.00 0.00 C ATOM 1379 C GLY A 86 -7.765 6.503 3.128 1.00 0.00 C ATOM 1380 O GLY A 86 -8.252 6.230 4.229 1.00 0.00 O ATOM 0 H GLY A 86 -5.188 6.924 3.259 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -7.623 8.655 3.372 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -6.992 8.074 1.844 1.00 0.00 H new ATOM 1384 N ASP A 87 -7.722 5.639 2.110 1.00 0.00 N ATOM 1385 CA ASP A 87 -7.579 4.173 2.332 1.00 0.00 C ATOM 1386 C ASP A 87 -7.012 3.553 1.013 1.00 0.00 C ATOM 1387 O ASP A 87 -7.494 3.809 -0.097 1.00 0.00 O ATOM 1388 CB ASP A 87 -8.844 3.422 2.802 1.00 0.00 C ATOM 1389 CG ASP A 87 -8.461 2.107 3.504 1.00 0.00 C ATOM 1390 OD1 ASP A 87 -8.123 1.118 2.816 1.00 0.00 O ATOM 1391 OD2 ASP A 87 -8.418 2.096 4.755 1.00 0.00 O ATOM 0 H ASP A 87 -7.782 5.912 1.129 1.00 0.00 H new ATOM 0 HA ASP A 87 -6.901 4.049 3.176 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -9.416 4.052 3.484 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -9.487 3.211 1.948 1.00 0.00 H new ATOM 1396 N TYR A 88 -5.962 2.749 1.174 1.00 0.00 N ATOM 1397 CA TYR A 88 -5.164 2.227 0.042 1.00 0.00 C ATOM 1398 C TYR A 88 -5.059 0.682 -0.092 1.00 0.00 C ATOM 1399 O TYR A 88 -4.121 0.211 -0.738 1.00 0.00 O ATOM 1400 CB TYR A 88 -3.797 2.965 0.062 1.00 0.00 C ATOM 1401 CG TYR A 88 -2.748 2.495 1.081 1.00 0.00 C ATOM 1402 CD1 TYR A 88 -2.908 2.705 2.462 1.00 0.00 C ATOM 1403 CD2 TYR A 88 -1.573 1.881 0.628 1.00 0.00 C ATOM 1404 CE1 TYR A 88 -1.918 2.305 3.359 1.00 0.00 C ATOM 1405 CE2 TYR A 88 -0.583 1.485 1.528 1.00 0.00 C ATOM 1406 CZ TYR A 88 -0.758 1.695 2.891 1.00 0.00 C ATOM 1407 OH TYR A 88 0.209 1.308 3.760 1.00 0.00 O ATOM 0 H TYR A 88 -5.633 2.436 2.087 1.00 0.00 H new ATOM 0 HA TYR A 88 -5.707 2.448 -0.877 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -3.358 2.885 -0.933 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -3.989 4.023 0.242 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -3.805 3.180 2.831 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -1.432 1.712 -0.429 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -2.052 2.469 4.418 1.00 0.00 H new ATOM 0 HE2 TYR A 88 0.319 1.015 1.166 1.00 0.00 H new ATOM 0 HH TYR A 88 0.830 0.699 3.308 1.00 0.00 H new ATOM 1417 N PHE A 89 -5.998 -0.110 0.471 1.00 0.00 N ATOM 1418 CA PHE A 89 -5.931 -1.609 0.456 1.00 0.00 C ATOM 1419 C PHE A 89 -4.597 -2.164 1.075 1.00 0.00 C ATOM 1420 O PHE A 89 -3.750 -2.644 0.314 1.00 0.00 O ATOM 1421 CB PHE A 89 -6.279 -2.083 -0.975 1.00 0.00 C ATOM 1422 CG PHE A 89 -6.540 -3.571 -1.195 1.00 0.00 C ATOM 1423 CD1 PHE A 89 -7.822 -4.109 -1.003 1.00 0.00 C ATOM 1424 CD2 PHE A 89 -5.533 -4.397 -1.721 1.00 0.00 C ATOM 1425 CE1 PHE A 89 -8.093 -5.438 -1.340 1.00 0.00 C ATOM 1426 CE2 PHE A 89 -5.804 -5.725 -2.056 1.00 0.00 C ATOM 1427 CZ PHE A 89 -7.084 -6.242 -1.870 1.00 0.00 C ATOM 0 H PHE A 89 -6.822 0.257 0.948 1.00 0.00 H new ATOM 0 HA PHE A 89 -6.674 -2.044 1.124 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -7.164 -1.537 -1.301 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -5.462 -1.787 -1.633 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -8.606 -3.491 -0.591 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.539 -4.001 -1.868 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -9.083 -5.842 -1.190 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.022 -6.351 -2.459 1.00 0.00 H new ATOM 0 HZ PHE A 89 -7.295 -7.267 -2.137 1.00 0.00 H new ATOM 1437 N PRO A 90 -4.344 -2.123 2.418 1.00 0.00 N ATOM 1438 CA PRO A 90 -2.946 -2.309 2.972 1.00 0.00 C ATOM 1439 C PRO A 90 -2.399 -3.764 3.115 1.00 0.00 C ATOM 1440 O PRO A 90 -1.846 -4.149 4.147 1.00 0.00 O ATOM 1441 CB PRO A 90 -3.046 -1.520 4.307 1.00 0.00 C ATOM 1442 CG PRO A 90 -4.525 -1.646 4.734 1.00 0.00 C ATOM 1443 CD PRO A 90 -5.276 -1.524 3.402 1.00 0.00 C ATOM 0 HA PRO A 90 -2.188 -1.950 2.276 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -2.380 -1.936 5.063 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -2.762 -0.477 4.171 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -4.724 -2.599 5.225 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -4.812 -0.861 5.433 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -6.227 -2.056 3.428 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -5.499 -0.484 3.161 1.00 0.00 H new ATOM 1451 N SER A 91 -2.529 -4.519 2.021 1.00 0.00 N ATOM 1452 CA SER A 91 -1.833 -5.800 1.753 1.00 0.00 C ATOM 1453 C SER A 91 -2.337 -6.263 0.347 1.00 0.00 C ATOM 1454 O SER A 91 -3.455 -6.782 0.220 1.00 0.00 O ATOM 1455 CB SER A 91 -2.011 -6.898 2.825 1.00 0.00 C ATOM 1456 OG SER A 91 -1.404 -8.134 2.445 1.00 0.00 O ATOM 0 H SER A 91 -3.149 -4.250 1.257 1.00 0.00 H new ATOM 0 HA SER A 91 -0.757 -5.631 1.782 1.00 0.00 H new ATOM 0 HB2 SER A 91 -1.577 -6.557 3.765 1.00 0.00 H new ATOM 0 HB3 SER A 91 -3.074 -7.058 3.004 1.00 0.00 H new ATOM 0 HG SER A 91 -0.700 -7.963 1.785 1.00 0.00 H new ATOM 1462 N GLN A 92 -1.510 -6.043 -0.687 1.00 0.00 N ATOM 1463 CA GLN A 92 -1.674 -6.709 -2.016 1.00 0.00 C ATOM 1464 C GLN A 92 -0.582 -7.808 -2.250 1.00 0.00 C ATOM 1465 O GLN A 92 0.210 -7.771 -3.195 1.00 0.00 O ATOM 1466 CB GLN A 92 -1.778 -5.651 -3.148 1.00 0.00 C ATOM 1467 CG GLN A 92 -0.558 -4.730 -3.351 1.00 0.00 C ATOM 1468 CD GLN A 92 -0.613 -3.797 -4.553 1.00 0.00 C ATOM 1469 OE1 GLN A 92 -0.643 -2.576 -4.428 1.00 0.00 O ATOM 1470 NE2 GLN A 92 -0.550 -4.325 -5.751 1.00 0.00 N ATOM 0 H GLN A 92 -0.713 -5.408 -0.641 1.00 0.00 H new ATOM 0 HA GLN A 92 -2.619 -7.252 -2.029 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -1.969 -6.174 -4.085 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -2.648 -5.025 -2.949 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -0.432 -4.125 -2.453 1.00 0.00 H new ATOM 0 HG3 GLN A 92 0.331 -5.354 -3.442 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -0.525 -5.339 -5.861 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -0.526 -3.722 -6.573 1.00 0.00 H new ATOM 1479 N ASP A 93 -0.554 -8.791 -1.345 1.00 0.00 N ATOM 1480 CA ASP A 93 0.645 -9.622 -1.089 1.00 0.00 C ATOM 1481 C ASP A 93 0.196 -10.887 -0.313 1.00 0.00 C ATOM 1482 O ASP A 93 -0.044 -10.874 0.896 1.00 0.00 O ATOM 1483 CB ASP A 93 1.820 -8.837 -0.489 1.00 0.00 C ATOM 1484 CG ASP A 93 1.720 -8.073 0.813 1.00 0.00 C ATOM 1485 OD1 ASP A 93 0.619 -7.796 1.334 1.00 0.00 O ATOM 1486 OD2 ASP A 93 2.800 -7.725 1.336 1.00 0.00 O ATOM 0 H ASP A 93 -1.356 -9.039 -0.766 1.00 0.00 H new ATOM 0 HA ASP A 93 1.082 -9.958 -2.029 1.00 0.00 H new ATOM 0 HB2 ASP A 93 2.638 -9.547 -0.369 1.00 0.00 H new ATOM 0 HB3 ASP A 93 2.131 -8.118 -1.247 1.00 0.00 H new ATOM 1491 N GLU A 94 0.030 -11.974 -1.073 1.00 0.00 N ATOM 1492 CA GLU A 94 -0.849 -13.118 -0.704 1.00 0.00 C ATOM 1493 C GLU A 94 -0.532 -14.048 0.529 1.00 0.00 C ATOM 1494 O GLU A 94 -1.277 -15.004 0.774 1.00 0.00 O ATOM 1495 CB GLU A 94 -0.977 -13.998 -1.971 1.00 0.00 C ATOM 1496 CG GLU A 94 -1.764 -13.439 -3.168 1.00 0.00 C ATOM 1497 CD GLU A 94 -1.722 -14.425 -4.332 1.00 0.00 C ATOM 1498 OE1 GLU A 94 -2.490 -15.413 -4.325 1.00 0.00 O ATOM 1499 OE2 GLU A 94 -0.895 -14.232 -5.248 1.00 0.00 O ATOM 0 H GLU A 94 0.499 -12.098 -1.970 1.00 0.00 H new ATOM 0 HA GLU A 94 -1.750 -12.622 -0.343 1.00 0.00 H new ATOM 0 HB2 GLU A 94 0.030 -14.234 -2.316 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -1.442 -14.939 -1.677 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -2.798 -13.252 -2.878 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -1.341 -12.483 -3.476 1.00 0.00 H new ATOM 1506 N GLN A 95 0.457 -13.694 1.348 1.00 0.00 N ATOM 1507 CA GLN A 95 0.507 -14.144 2.775 1.00 0.00 C ATOM 1508 C GLN A 95 -0.020 -12.945 3.616 1.00 0.00 C ATOM 1509 O GLN A 95 0.746 -12.081 4.039 1.00 0.00 O ATOM 1510 CB GLN A 95 1.951 -14.580 3.093 1.00 0.00 C ATOM 1511 CG GLN A 95 2.144 -15.466 4.340 1.00 0.00 C ATOM 1512 CD GLN A 95 1.965 -14.812 5.700 1.00 0.00 C ATOM 1513 OE1 GLN A 95 2.851 -14.148 6.230 1.00 0.00 O ATOM 1514 NE2 GLN A 95 0.836 -14.990 6.342 1.00 0.00 N ATOM 0 H GLN A 95 1.239 -13.101 1.069 1.00 0.00 H new ATOM 0 HA GLN A 95 -0.114 -15.011 3.002 1.00 0.00 H new ATOM 0 HB2 GLN A 95 2.343 -15.117 2.229 1.00 0.00 H new ATOM 0 HB3 GLN A 95 2.559 -13.684 3.214 1.00 0.00 H new ATOM 0 HG2 GLN A 95 1.444 -16.299 4.273 1.00 0.00 H new ATOM 0 HG3 GLN A 95 3.148 -15.889 4.300 1.00 0.00 H new ATOM 0 HE21 GLN A 95 0.089 -15.539 5.917 1.00 0.00 H new ATOM 0 HE22 GLN A 95 0.705 -14.580 7.267 1.00 0.00 H new ATOM 1523 N LEU A 96 -1.353 -12.836 3.751 1.00 0.00 N ATOM 1524 CA LEU A 96 -2.014 -11.498 3.827 1.00 0.00 C ATOM 1525 C LEU A 96 -1.953 -10.815 5.231 1.00 0.00 C ATOM 1526 O LEU A 96 -2.934 -10.773 5.981 1.00 0.00 O ATOM 1527 CB LEU A 96 -3.466 -11.706 3.296 1.00 0.00 C ATOM 1528 CG LEU A 96 -4.144 -10.424 2.752 1.00 0.00 C ATOM 1529 CD1 LEU A 96 -3.712 -10.138 1.305 1.00 0.00 C ATOM 1530 CD2 LEU A 96 -5.673 -10.574 2.795 1.00 0.00 C ATOM 0 H LEU A 96 -1.991 -13.630 3.810 1.00 0.00 H new ATOM 0 HA LEU A 96 -1.470 -10.781 3.212 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -3.445 -12.454 2.504 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.079 -12.111 4.101 1.00 0.00 H new ATOM 0 HG LEU A 96 -3.833 -9.592 3.385 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -4.204 -9.232 0.951 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -2.631 -10.002 1.268 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -3.994 -10.977 0.669 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -6.139 -9.667 2.410 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -5.973 -11.424 2.182 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -5.994 -10.738 3.824 1.00 0.00 H new ATOM 1542 N ALA A 97 -0.787 -10.232 5.553 1.00 0.00 N ATOM 1543 CA ALA A 97 -0.550 -9.552 6.850 1.00 0.00 C ATOM 1544 C ALA A 97 -1.066 -8.084 6.850 1.00 0.00 C ATOM 1545 O ALA A 97 -0.313 -7.118 6.679 1.00 0.00 O ATOM 1546 CB ALA A 97 0.956 -9.675 7.130 1.00 0.00 C ATOM 0 H ALA A 97 0.019 -10.215 4.928 1.00 0.00 H new ATOM 0 HA ALA A 97 -1.117 -10.022 7.653 1.00 0.00 H new ATOM 0 HB1 ALA A 97 1.191 -9.190 8.077 1.00 0.00 H new ATOM 0 HB2 ALA A 97 1.231 -10.728 7.184 1.00 0.00 H new ATOM 0 HB3 ALA A 97 1.516 -9.194 6.328 1.00 0.00 H new ATOM 1552 N LYS A 98 -2.389 -7.940 7.026 1.00 0.00 N ATOM 1553 CA LYS A 98 -3.103 -6.668 6.709 1.00 0.00 C ATOM 1554 C LYS A 98 -3.364 -5.813 7.977 1.00 0.00 C ATOM 1555 O LYS A 98 -4.488 -5.707 8.475 1.00 0.00 O ATOM 1556 CB LYS A 98 -4.364 -7.091 5.903 1.00 0.00 C ATOM 1557 CG LYS A 98 -4.970 -5.965 5.038 1.00 0.00 C ATOM 1558 CD LYS A 98 -5.773 -6.536 3.845 1.00 0.00 C ATOM 1559 CE LYS A 98 -6.026 -5.488 2.745 1.00 0.00 C ATOM 1560 NZ LYS A 98 -5.997 -6.125 1.398 1.00 0.00 N ATOM 0 H LYS A 98 -2.994 -8.679 7.384 1.00 0.00 H new ATOM 0 HA LYS A 98 -2.508 -5.987 6.101 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -4.104 -7.930 5.257 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -5.123 -7.448 6.599 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -5.622 -5.344 5.652 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -4.173 -5.321 4.666 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -5.232 -7.381 3.419 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -6.729 -6.918 4.205 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -6.992 -5.009 2.906 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -5.269 -4.705 2.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -6.532 -5.539 0.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -5.012 -6.211 1.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -6.427 -7.070 1.452 1.00 0.00 H new ATOM 1574 N ALA A 99 -2.284 -5.203 8.488 1.00 0.00 N ATOM 1575 CA ALA A 99 -2.288 -4.468 9.770 1.00 0.00 C ATOM 1576 C ALA A 99 -2.293 -2.933 9.545 1.00 0.00 C ATOM 1577 O ALA A 99 -1.347 -2.377 8.974 1.00 0.00 O ATOM 1578 CB ALA A 99 -1.042 -4.930 10.545 1.00 0.00 C ATOM 0 H ALA A 99 -1.376 -5.204 8.024 1.00 0.00 H new ATOM 0 HA ALA A 99 -3.193 -4.682 10.339 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -0.998 -4.414 11.504 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -1.096 -6.006 10.714 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -0.147 -4.698 9.967 1.00 0.00 H new ATOM 1584 N ALA A 100 -3.368 -2.266 9.993 1.00 0.00 N ATOM 1585 CA ALA A 100 -3.597 -0.833 9.704 1.00 0.00 C ATOM 1586 C ALA A 100 -3.547 0.081 10.966 1.00 0.00 C ATOM 1587 O ALA A 100 -4.577 0.239 11.635 1.00 0.00 O ATOM 1588 CB ALA A 100 -4.930 -0.733 8.943 1.00 0.00 C ATOM 0 H ALA A 100 -4.099 -2.695 10.560 1.00 0.00 H new ATOM 0 HA ALA A 100 -2.780 -0.452 9.091 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -5.138 0.311 8.709 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -4.865 -1.306 8.018 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -5.733 -1.133 9.562 1.00 0.00 H new ATOM 1594 N PRO A 101 -2.415 0.760 11.305 1.00 0.00 N ATOM 1595 CA PRO A 101 -2.400 1.854 12.328 1.00 0.00 C ATOM 1596 C PRO A 101 -2.961 3.188 11.760 1.00 0.00 C ATOM 1597 O PRO A 101 -2.228 4.067 11.301 1.00 0.00 O ATOM 1598 CB PRO A 101 -0.906 1.874 12.729 1.00 0.00 C ATOM 1599 CG PRO A 101 -0.144 1.473 11.447 1.00 0.00 C ATOM 1600 CD PRO A 101 -1.084 0.500 10.722 1.00 0.00 C ATOM 0 HA PRO A 101 -3.050 1.700 13.190 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -0.603 2.862 13.076 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -0.706 1.176 13.542 1.00 0.00 H new ATOM 0 HG2 PRO A 101 0.077 2.344 10.830 1.00 0.00 H new ATOM 0 HG3 PRO A 101 0.809 1.000 11.684 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -1.082 0.675 9.646 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -0.779 -0.535 10.877 1.00 0.00 H new ATOM 1608 N LYS A 102 -4.302 3.277 11.772 1.00 0.00 N ATOM 1609 CA LYS A 102 -5.058 4.226 10.902 1.00 0.00 C ATOM 1610 C LYS A 102 -4.846 5.727 11.266 1.00 0.00 C ATOM 1611 O LYS A 102 -5.214 6.174 12.355 1.00 0.00 O ATOM 1612 CB LYS A 102 -6.541 3.772 10.989 1.00 0.00 C ATOM 1613 CG LYS A 102 -7.514 4.384 9.964 1.00 0.00 C ATOM 1614 CD LYS A 102 -7.402 3.762 8.557 1.00 0.00 C ATOM 1615 CE LYS A 102 -8.313 4.483 7.545 1.00 0.00 C ATOM 1616 NZ LYS A 102 -7.847 4.252 6.152 1.00 0.00 N ATOM 0 H LYS A 102 -4.896 2.706 12.373 1.00 0.00 H new ATOM 0 HA LYS A 102 -4.691 4.185 9.877 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -6.572 2.688 10.882 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -6.910 4.004 11.988 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -8.535 4.261 10.326 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -7.328 5.456 9.894 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -6.368 3.813 8.217 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -7.671 2.707 8.602 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -9.337 4.127 7.654 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -8.323 5.552 7.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -8.153 5.042 5.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -6.809 4.188 6.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -8.253 3.364 5.793 1.00 0.00 H new ATOM 1630 N GLN A 103 -4.233 6.494 10.355 1.00 0.00 N ATOM 1631 CA GLN A 103 -3.699 7.855 10.657 1.00 0.00 C ATOM 1632 C GLN A 103 -4.661 9.013 10.265 1.00 0.00 C ATOM 1633 O GLN A 103 -4.365 9.860 9.417 1.00 0.00 O ATOM 1634 CB GLN A 103 -2.270 7.877 10.049 1.00 0.00 C ATOM 1635 CG GLN A 103 -1.508 9.212 10.158 1.00 0.00 C ATOM 1636 CD GLN A 103 0.008 9.099 10.196 1.00 0.00 C ATOM 1637 OE1 GLN A 103 0.631 9.410 11.204 1.00 0.00 O ATOM 1638 NE2 GLN A 103 0.656 8.668 9.136 1.00 0.00 N ATOM 0 H GLN A 103 -4.087 6.203 9.388 1.00 0.00 H new ATOM 0 HA GLN A 103 -3.628 8.049 11.727 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -1.678 7.103 10.537 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -2.341 7.607 8.995 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -1.787 9.840 9.312 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -1.839 9.727 11.060 1.00 0.00 H new ATOM 0 HE21 GLN A 103 0.142 8.408 8.295 1.00 0.00 H new ATOM 0 HE22 GLN A 103 1.673 8.594 9.155 1.00 0.00 H new ATOM 1647 N PHE A 104 -5.782 9.114 10.994 1.00 0.00 N ATOM 1648 CA PHE A 104 -6.611 10.349 11.029 1.00 0.00 C ATOM 1649 C PHE A 104 -6.523 10.960 12.467 1.00 0.00 C ATOM 1650 O PHE A 104 -7.435 10.842 13.290 1.00 0.00 O ATOM 1651 CB PHE A 104 -8.063 10.067 10.582 1.00 0.00 C ATOM 1652 CG PHE A 104 -8.254 9.844 9.068 1.00 0.00 C ATOM 1653 CD1 PHE A 104 -8.024 10.887 8.152 1.00 0.00 C ATOM 1654 CD2 PHE A 104 -8.732 8.618 8.580 1.00 0.00 C ATOM 1655 CE1 PHE A 104 -8.246 10.701 6.787 1.00 0.00 C ATOM 1656 CE2 PHE A 104 -8.973 8.440 7.216 1.00 0.00 C ATOM 1657 CZ PHE A 104 -8.722 9.478 6.322 1.00 0.00 C ATOM 0 H PHE A 104 -6.145 8.357 11.573 1.00 0.00 H new ATOM 0 HA PHE A 104 -6.228 11.080 10.317 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -8.424 9.185 11.111 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -8.690 10.903 10.892 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -7.671 11.843 8.510 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -8.915 7.804 9.266 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -8.049 11.504 6.092 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -9.354 7.497 6.854 1.00 0.00 H new ATOM 0 HZ PHE A 104 -8.897 9.334 5.266 1.00 0.00 H new ATOM 1667 N GLY A 105 -5.365 11.580 12.748 1.00 0.00 N ATOM 1668 CA GLY A 105 -5.042 12.090 14.099 1.00 0.00 C ATOM 1669 C GLY A 105 -4.269 11.092 14.970 1.00 0.00 C ATOM 1670 O GLY A 105 -3.062 11.241 15.163 1.00 0.00 O ATOM 0 H GLY A 105 -4.632 11.742 12.058 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -4.455 13.003 14.001 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -5.968 12.359 14.606 1.00 0.00 H new ATOM 1674 N ARG A 106 -4.977 10.084 15.493 1.00 0.00 N ATOM 1675 CA ARG A 106 -4.367 9.025 16.343 1.00 0.00 C ATOM 1676 C ARG A 106 -3.906 7.831 15.465 1.00 0.00 C ATOM 1677 O ARG A 106 -4.716 6.980 15.088 1.00 0.00 O ATOM 1678 CB ARG A 106 -5.432 8.666 17.410 1.00 0.00 C ATOM 1679 CG ARG A 106 -4.952 7.854 18.627 1.00 0.00 C ATOM 1680 CD ARG A 106 -4.917 6.331 18.436 1.00 0.00 C ATOM 1681 NE ARG A 106 -4.633 5.718 19.760 1.00 0.00 N ATOM 1682 CZ ARG A 106 -5.132 4.571 20.205 1.00 0.00 C ATOM 1683 NH1 ARG A 106 -5.759 3.689 19.472 1.00 0.00 N ATOM 1684 NH2 ARG A 106 -4.987 4.281 21.461 1.00 0.00 N ATOM 0 H ARG A 106 -5.980 9.969 15.348 1.00 0.00 H new ATOM 0 HA ARG A 106 -3.460 9.353 16.851 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -5.874 9.594 17.774 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -6.228 8.105 16.920 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -3.951 8.192 18.895 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -5.602 8.081 19.472 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -5.869 5.972 18.044 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -4.150 6.053 17.713 1.00 0.00 H new ATOM 0 HE ARG A 106 -4.000 6.222 20.381 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -5.896 3.859 18.476 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -6.111 2.831 19.896 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -4.499 4.928 22.081 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -5.361 3.406 21.829 1.00 0.00 H new ATOM 1698 N ASN A 107 -2.602 7.761 15.167 1.00 0.00 N ATOM 1699 CA ASN A 107 -2.002 6.715 14.279 1.00 0.00 C ATOM 1700 C ASN A 107 -1.823 5.296 14.912 1.00 0.00 C ATOM 1701 O ASN A 107 -0.724 4.743 14.998 1.00 0.00 O ATOM 1702 CB ASN A 107 -0.705 7.293 13.640 1.00 0.00 C ATOM 1703 CG ASN A 107 0.408 7.756 14.580 1.00 0.00 C ATOM 1704 OD1 ASN A 107 0.196 8.566 15.479 1.00 0.00 O ATOM 1705 ND2 ASN A 107 1.628 7.312 14.420 1.00 0.00 N ATOM 0 H ASN A 107 -1.917 8.424 15.529 1.00 0.00 H new ATOM 0 HA ASN A 107 -2.730 6.499 13.497 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -0.290 6.532 12.979 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -0.988 8.139 13.014 1.00 0.00 H new ATOM 0 HD21 ASN A 107 2.374 7.639 15.034 1.00 0.00 H new ATOM 0 HD22 ASN A 107 1.833 6.639 13.682 1.00 0.00 H new ATOM 1712 N LEU A 108 -2.954 4.709 15.320 1.00 0.00 N ATOM 1713 CA LEU A 108 -3.025 3.357 15.924 1.00 0.00 C ATOM 1714 C LEU A 108 -4.537 2.969 16.014 1.00 0.00 C ATOM 1715 O LEU A 108 -5.306 3.633 16.720 1.00 0.00 O ATOM 1716 CB LEU A 108 -2.347 3.305 17.322 1.00 0.00 C ATOM 1717 CG LEU A 108 -1.721 1.969 17.778 1.00 0.00 C ATOM 1718 CD1 LEU A 108 -2.681 0.783 17.796 1.00 0.00 C ATOM 1719 CD2 LEU A 108 -0.463 1.617 16.973 1.00 0.00 C ATOM 0 H LEU A 108 -3.865 5.161 15.242 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.480 2.645 15.304 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -1.564 4.064 17.341 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -3.091 3.595 18.064 1.00 0.00 H new ATOM 0 HG LEU A 108 -1.445 2.151 18.817 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -2.151 -0.109 18.129 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -3.505 0.992 18.479 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -3.074 0.618 16.793 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -0.057 0.670 17.328 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -0.719 1.529 15.917 1.00 0.00 H new ATOM 0 HD23 LEU A 108 0.282 2.402 17.101 1.00 0.00 H new ATOM 1731 N ALA A 109 -4.958 1.893 15.333 1.00 0.00 N ATOM 1732 CA ALA A 109 -6.353 1.392 15.429 1.00 0.00 C ATOM 1733 C ALA A 109 -6.571 0.455 16.653 1.00 0.00 C ATOM 1734 O ALA A 109 -7.147 0.900 17.649 1.00 0.00 O ATOM 1735 CB ALA A 109 -6.731 0.793 14.068 1.00 0.00 C ATOM 0 H ALA A 109 -4.361 1.349 14.710 1.00 0.00 H new ATOM 0 HA ALA A 109 -7.043 2.210 15.636 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -7.753 0.416 14.108 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -6.658 1.562 13.299 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -6.051 -0.025 13.829 1.00 0.00 H new ATOM 1741 N ARG A 110 -6.108 -0.808 16.604 1.00 0.00 N ATOM 1742 CA ARG A 110 -6.334 -1.787 17.703 1.00 0.00 C ATOM 1743 C ARG A 110 -5.142 -1.771 18.701 1.00 0.00 C ATOM 1744 O ARG A 110 -4.120 -2.432 18.494 1.00 0.00 O ATOM 1745 CB ARG A 110 -6.598 -3.164 17.042 1.00 0.00 C ATOM 1746 CG ARG A 110 -7.290 -4.230 17.919 1.00 0.00 C ATOM 1747 CD ARG A 110 -6.472 -4.858 19.055 1.00 0.00 C ATOM 1748 NE ARG A 110 -5.354 -5.679 18.528 1.00 0.00 N ATOM 1749 CZ ARG A 110 -4.140 -5.784 19.061 1.00 0.00 C ATOM 1750 NH1 ARG A 110 -3.750 -5.169 20.150 1.00 0.00 N ATOM 1751 NH2 ARG A 110 -3.277 -6.549 18.461 1.00 0.00 N ATOM 0 H ARG A 110 -5.575 -1.182 15.819 1.00 0.00 H new ATOM 0 HA ARG A 110 -7.203 -1.531 18.310 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -7.209 -3.004 16.154 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -5.644 -3.568 16.704 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -8.180 -3.778 18.357 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -7.629 -5.034 17.265 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -6.076 -4.072 19.698 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -7.121 -5.478 19.673 1.00 0.00 H new ATOM 0 HE ARG A 110 -5.533 -6.213 17.677 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -4.396 -4.559 20.650 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -2.800 -5.300 20.498 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -3.540 -7.045 17.610 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -2.336 -6.653 18.842 1.00 0.00 H new ATOM 1765 N ASP A 111 -5.308 -1.031 19.803 1.00 0.00 N ATOM 1766 CA ASP A 111 -4.296 -0.935 20.887 1.00 0.00 C ATOM 1767 C ASP A 111 -4.375 -2.092 21.935 1.00 0.00 C ATOM 1768 O ASP A 111 -5.012 -3.134 21.736 1.00 0.00 O ATOM 1769 CB ASP A 111 -4.316 0.523 21.416 1.00 0.00 C ATOM 1770 CG ASP A 111 -5.555 1.000 22.145 1.00 0.00 C ATOM 1771 OD1 ASP A 111 -5.845 0.522 23.261 1.00 0.00 O ATOM 1772 OD2 ASP A 111 -6.263 1.886 21.614 1.00 0.00 O ATOM 0 H ASP A 111 -6.146 -0.477 19.978 1.00 0.00 H new ATOM 0 HA ASP A 111 -3.291 -1.117 20.506 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -3.466 0.646 22.087 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -4.151 1.188 20.568 1.00 0.00 H new ATOM 1777 N LYS A 112 -3.687 -1.893 23.066 1.00 0.00 N ATOM 1778 CA LYS A 112 -3.819 -2.760 24.270 1.00 0.00 C ATOM 1779 C LYS A 112 -5.118 -2.403 25.061 1.00 0.00 C ATOM 1780 O LYS A 112 -5.104 -1.723 26.090 1.00 0.00 O ATOM 1781 CB LYS A 112 -2.507 -2.594 25.079 1.00 0.00 C ATOM 1782 CG LYS A 112 -2.352 -3.584 26.253 1.00 0.00 C ATOM 1783 CD LYS A 112 -1.013 -3.364 26.988 1.00 0.00 C ATOM 1784 CE LYS A 112 -0.841 -4.332 28.170 1.00 0.00 C ATOM 1785 NZ LYS A 112 0.464 -4.076 28.842 1.00 0.00 N ATOM 0 H LYS A 112 -3.020 -1.130 23.184 1.00 0.00 H new ATOM 0 HA LYS A 112 -3.938 -3.814 24.018 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -1.660 -2.715 24.403 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -2.461 -1.577 25.469 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -3.179 -3.458 26.951 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -2.403 -4.607 25.880 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -0.188 -3.497 26.287 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -0.962 -2.337 27.350 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -1.658 -4.203 28.880 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -0.884 -5.363 27.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 0.578 -4.732 29.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 1.238 -4.220 28.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 0.488 -3.097 29.192 1.00 0.00 H new ATOM 1799 N LYS A 113 -6.242 -2.871 24.498 1.00 0.00 N ATOM 1800 CA LYS A 113 -7.596 -2.390 24.880 1.00 0.00 C ATOM 1801 C LYS A 113 -8.161 -2.985 26.214 1.00 0.00 C ATOM 1802 O LYS A 113 -9.096 -3.789 26.238 1.00 0.00 O ATOM 1803 CB LYS A 113 -8.548 -2.645 23.673 1.00 0.00 C ATOM 1804 CG LYS A 113 -8.391 -1.669 22.490 1.00 0.00 C ATOM 1805 CD LYS A 113 -9.420 -0.530 22.425 1.00 0.00 C ATOM 1806 CE LYS A 113 -9.487 0.449 23.606 1.00 0.00 C ATOM 1807 NZ LYS A 113 -8.331 1.385 23.650 1.00 0.00 N ATOM 0 H LYS A 113 -6.249 -3.587 23.771 1.00 0.00 H new ATOM 0 HA LYS A 113 -7.521 -1.325 25.101 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -8.383 -3.659 23.310 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -9.578 -2.597 24.028 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -7.394 -1.231 22.534 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -8.448 -2.239 21.563 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -9.221 0.048 21.523 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -10.407 -0.978 22.306 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -10.411 1.024 23.543 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -9.526 -0.116 24.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -8.496 2.106 24.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -7.464 0.856 23.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -8.224 1.849 22.725 1.00 0.00 H new ATOM 1821 N LYS A 114 -7.634 -2.474 27.331 1.00 0.00 N ATOM 1822 CA LYS A 114 -8.293 -2.546 28.657 1.00 0.00 C ATOM 1823 C LYS A 114 -7.984 -1.210 29.386 1.00 0.00 C ATOM 1824 O LYS A 114 -6.864 -0.990 29.854 1.00 0.00 O ATOM 1825 CB LYS A 114 -7.838 -3.803 29.441 1.00 0.00 C ATOM 1826 CG LYS A 114 -8.668 -4.110 30.712 1.00 0.00 C ATOM 1827 CD LYS A 114 -8.188 -3.378 31.977 1.00 0.00 C ATOM 1828 CE LYS A 114 -9.164 -3.426 33.167 1.00 0.00 C ATOM 1829 NZ LYS A 114 -10.333 -2.517 32.962 1.00 0.00 N ATOM 0 H LYS A 114 -6.734 -1.995 27.350 1.00 0.00 H new ATOM 0 HA LYS A 114 -9.373 -2.659 28.564 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -7.885 -4.666 28.776 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -6.794 -3.677 29.727 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -9.708 -3.843 30.525 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -8.643 -5.184 30.897 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -7.237 -3.809 32.289 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -7.998 -2.335 31.725 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -9.518 -4.448 33.306 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -8.639 -3.143 34.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -10.857 -2.419 33.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -9.996 -1.582 32.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -10.960 -2.916 32.234 1.00 0.00 H new ATOM 1843 N GLN A 115 -8.995 -0.341 29.496 1.00 0.00 N ATOM 1844 CA GLN A 115 -8.878 0.962 30.197 1.00 0.00 C ATOM 1845 C GLN A 115 -9.990 1.087 31.281 1.00 0.00 C ATOM 1846 O GLN A 115 -10.137 0.175 32.106 1.00 0.00 O ATOM 1847 CB GLN A 115 -8.667 2.081 29.146 1.00 0.00 C ATOM 1848 CG GLN A 115 -9.764 2.312 28.087 1.00 0.00 C ATOM 1849 CD GLN A 115 -9.329 3.272 26.982 1.00 0.00 C ATOM 1850 OE1 GLN A 115 -8.742 2.876 25.977 1.00 0.00 O ATOM 1851 NE2 GLN A 115 -9.609 4.546 27.109 1.00 0.00 N ATOM 0 H GLN A 115 -9.921 -0.512 29.105 1.00 0.00 H new ATOM 0 HA GLN A 115 -7.986 1.065 30.815 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -8.523 3.018 29.684 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -7.737 1.870 28.619 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -10.041 1.356 27.643 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -10.655 2.707 28.574 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -10.096 4.881 27.940 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -9.340 5.203 26.376 1.00 0.00 H new ATOM 1860 N ARG A 116 -10.737 2.195 31.317 1.00 0.00 N ATOM 1861 CA ARG A 116 -11.861 2.408 32.258 1.00 0.00 C ATOM 1862 C ARG A 116 -12.880 3.369 31.582 1.00 0.00 C ATOM 1863 O ARG A 116 -12.562 4.523 31.282 1.00 0.00 O ATOM 1864 CB ARG A 116 -11.382 2.854 33.661 1.00 0.00 C ATOM 1865 CG ARG A 116 -10.740 4.245 33.834 1.00 0.00 C ATOM 1866 CD ARG A 116 -11.729 5.299 34.357 1.00 0.00 C ATOM 1867 NE ARG A 116 -11.062 6.618 34.447 1.00 0.00 N ATOM 1868 CZ ARG A 116 -11.638 7.738 34.878 1.00 0.00 C ATOM 1869 NH1 ARG A 116 -12.860 7.818 35.343 1.00 0.00 N ATOM 1870 NH2 ARG A 116 -10.938 8.834 34.840 1.00 0.00 N ATOM 0 H ARG A 116 -10.583 2.984 30.689 1.00 0.00 H new ATOM 0 HA ARG A 116 -12.371 1.466 32.460 1.00 0.00 H new ATOM 0 HB2 ARG A 116 -12.240 2.804 34.331 1.00 0.00 H new ATOM 0 HB3 ARG A 116 -10.661 2.115 34.011 1.00 0.00 H new ATOM 0 HG2 ARG A 116 -9.900 4.169 34.524 1.00 0.00 H new ATOM 0 HG3 ARG A 116 -10.337 4.575 32.877 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -12.591 5.363 33.693 1.00 0.00 H new ATOM 0 HD3 ARG A 116 -12.103 5.004 35.337 1.00 0.00 H new ATOM 0 HE ARG A 116 -10.086 6.673 34.156 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -13.442 6.982 35.393 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -13.229 8.716 35.655 1.00 0.00 H new ATOM 0 HH21 ARG A 116 -9.981 8.816 34.488 1.00 0.00 H new ATOM 0 HH22 ARG A 116 -11.346 9.711 35.162 1.00 0.00 H new ATOM 1884 N GLY A 117 -14.098 2.874 31.336 1.00 0.00 N ATOM 1885 CA GLY A 117 -15.235 3.721 30.895 1.00 0.00 C ATOM 1886 C GLY A 117 -15.746 4.739 31.935 1.00 0.00 C ATOM 1887 O GLY A 117 -15.637 5.946 31.720 1.00 0.00 O ATOM 0 H GLY A 117 -14.332 1.886 31.433 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -14.935 4.263 29.998 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -16.062 3.070 30.612 1.00 0.00 H new ATOM 1891 N ARG A 118 -16.262 4.215 33.054 1.00 0.00 N ATOM 1892 CA ARG A 118 -16.361 4.988 34.318 1.00 0.00 C ATOM 1893 C ARG A 118 -15.086 4.798 35.195 1.00 0.00 C ATOM 1894 O ARG A 118 -14.532 5.813 35.674 1.00 0.00 O ATOM 1895 CB ARG A 118 -17.675 4.682 35.074 1.00 0.00 C ATOM 1896 CG ARG A 118 -17.877 3.246 35.589 1.00 0.00 C ATOM 1897 CD ARG A 118 -19.154 3.055 36.426 1.00 0.00 C ATOM 1898 NE ARG A 118 -20.370 3.130 35.577 1.00 0.00 N ATOM 1899 CZ ARG A 118 -21.619 3.015 36.012 1.00 0.00 C ATOM 1900 NH1 ARG A 118 -21.936 2.780 37.261 1.00 0.00 N ATOM 1901 NH2 ARG A 118 -22.585 3.142 35.150 1.00 0.00 N ATOM 1902 OXT ARG A 118 -14.611 3.653 35.385 1.00 0.00 O ATOM 0 H ARG A 118 -16.619 3.262 33.119 1.00 0.00 H new ATOM 0 HA ARG A 118 -16.405 6.047 34.066 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -17.738 5.358 35.927 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -18.508 4.923 34.414 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -17.908 2.567 34.737 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -17.014 2.962 36.192 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -19.119 2.090 36.932 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -19.201 3.820 37.201 1.00 0.00 H new ATOM 0 HE ARG A 118 -20.235 3.282 34.578 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -21.203 2.675 37.962 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -22.916 2.702 37.532 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -22.373 3.325 34.169 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -23.555 3.059 35.455 1.00 0.00 H new TER 1916 ARG A 118