USER MOD reduce.3.24.130724 H: found=0, std=0, add=648, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 646 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 35 GLN : amide:sc= -0.181 K(o=0.56,f=-2.3) USER MOD Set 1.2: A 45 LYS NZ :NH3+ 167:sc= 0.74 (180deg=0) USER MOD Set 2.1: A 14 ASN : amide:sc= -2.86! C(o=-3.4!,f=-16!) USER MOD Set 2.2: A 20 TYR OH : rot 30:sc=-0.000154 USER MOD Set 2.3: A 41 GLN :FLIP amide:sc= -0.54 F(o=-3.9,f=-3.4) USER MOD Single : A 1 GLY N :NH3+ -113:sc= 0.0888 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc=-0.00612 USER MOD Single : A 3 SER OG : rot 16:sc= 0.962 USER MOD Single : A 5 SER OG : rot 40:sc= 0.164 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.498 X(o=-0.5,f=-0.53) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 37:sc= 0.106 USER MOD Single : A 22 TYR OH : rot 30:sc=-0.00884 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.0062) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -169:sc=-0.00153 (180deg=-0.0871) USER MOD Single : A 36 GLN : amide:sc= 0.522 K(o=0.52,f=0) USER MOD Single : A 40 GLN : amide:sc= -0.113 X(o=-0.11,f=-0.11) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -3.6 K(o=-3.6,f=-7.9!) USER MOD Single : A 48 GLN : amide:sc= -2.27 K(o=-2.3,f=-8.4!) USER MOD Single : A 49 GLN : amide:sc= -1.32 K(o=-1.3,f=-2.5!) USER MOD Single : A 53 GLN : amide:sc= -2.94! C(o=-2.9!,f=-3!) USER MOD Single : A 55 GLN : amide:sc= -3.19! X(o=-3.2!,f=-2.7) USER MOD Single : A 58 GLN : amide:sc= -0.46 X(o=-0.46,f=-0.31) USER MOD Single : A 66 TYR OH : rot -92:sc= 1.21 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ -159:sc= -0.0433 (180deg=-0.324) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.491 -6.003 -11.781 1.00 0.00 N ATOM 2 CA GLY A 1 -4.337 -6.706 -12.728 1.00 0.00 C ATOM 3 C GLY A 1 -5.020 -5.768 -13.703 1.00 0.00 C ATOM 4 O GLY A 1 -4.972 -4.549 -13.539 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.496 -6.247 -11.957 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.621 -4.977 -11.894 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.749 -6.280 -10.812 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.736 -7.426 -13.282 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.093 -7.273 -12.184 1.00 0.00 H new ATOM 8 N SER A 2 -5.656 -6.336 -14.723 1.00 0.00 N ATOM 9 CA SER A 2 -6.347 -5.541 -15.731 1.00 0.00 C ATOM 10 C SER A 2 -7.780 -5.244 -15.301 1.00 0.00 C ATOM 11 O SER A 2 -8.231 -4.100 -15.355 1.00 0.00 O ATOM 12 CB SER A 2 -6.347 -6.273 -17.075 1.00 0.00 C ATOM 13 OG SER A 2 -6.886 -7.577 -16.945 1.00 0.00 O ATOM 0 H SER A 2 -5.707 -7.344 -14.873 1.00 0.00 H new ATOM 0 HA SER A 2 -5.816 -4.595 -15.840 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.929 -5.706 -17.801 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.329 -6.333 -17.460 1.00 0.00 H new ATOM 0 HG SER A 2 -6.877 -8.023 -17.817 1.00 0.00 H new ATOM 19 N SER A 3 -8.490 -6.282 -14.872 1.00 0.00 N ATOM 20 CA SER A 3 -9.873 -6.135 -14.436 1.00 0.00 C ATOM 21 C SER A 3 -10.237 -7.206 -13.412 1.00 0.00 C ATOM 22 O SER A 3 -10.299 -8.392 -13.733 1.00 0.00 O ATOM 23 CB SER A 3 -10.820 -6.216 -15.635 1.00 0.00 C ATOM 24 OG SER A 3 -10.868 -7.532 -16.159 1.00 0.00 O ATOM 0 H SER A 3 -8.130 -7.235 -14.817 1.00 0.00 H new ATOM 0 HA SER A 3 -9.977 -5.157 -13.966 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.820 -5.904 -15.334 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.490 -5.524 -16.410 1.00 0.00 H new ATOM 0 HG SER A 3 -10.496 -8.159 -15.504 1.00 0.00 H new ATOM 30 N GLY A 4 -10.479 -6.778 -12.177 1.00 0.00 N ATOM 31 CA GLY A 4 -10.833 -7.711 -11.124 1.00 0.00 C ATOM 32 C GLY A 4 -9.740 -7.856 -10.084 1.00 0.00 C ATOM 33 O GLY A 4 -9.128 -8.917 -9.960 1.00 0.00 O ATOM 0 H GLY A 4 -10.436 -5.801 -11.887 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.749 -7.375 -10.639 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.044 -8.686 -11.563 1.00 0.00 H new ATOM 37 N SER A 5 -9.492 -6.786 -9.336 1.00 0.00 N ATOM 38 CA SER A 5 -8.461 -6.796 -8.305 1.00 0.00 C ATOM 39 C SER A 5 -8.958 -6.117 -7.032 1.00 0.00 C ATOM 40 O SER A 5 -9.377 -4.960 -7.056 1.00 0.00 O ATOM 41 CB SER A 5 -7.198 -6.095 -8.810 1.00 0.00 C ATOM 42 OG SER A 5 -7.502 -4.817 -9.342 1.00 0.00 O ATOM 0 H SER A 5 -9.991 -5.901 -9.425 1.00 0.00 H new ATOM 0 HA SER A 5 -8.224 -7.834 -8.073 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.484 -5.992 -7.993 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.720 -6.707 -9.575 1.00 0.00 H new ATOM 0 HG SER A 5 -8.176 -4.381 -8.780 1.00 0.00 H new ATOM 48 N SER A 6 -8.909 -6.847 -5.922 1.00 0.00 N ATOM 49 CA SER A 6 -9.358 -6.318 -4.639 1.00 0.00 C ATOM 50 C SER A 6 -8.298 -5.407 -4.027 1.00 0.00 C ATOM 51 O SER A 6 -7.243 -5.868 -3.592 1.00 0.00 O ATOM 52 CB SER A 6 -9.681 -7.462 -3.677 1.00 0.00 C ATOM 53 OG SER A 6 -10.920 -8.068 -4.003 1.00 0.00 O ATOM 0 H SER A 6 -8.563 -7.806 -5.885 1.00 0.00 H new ATOM 0 HA SER A 6 -10.261 -5.732 -4.811 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.887 -8.208 -3.714 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.715 -7.084 -2.655 1.00 0.00 H new ATOM 0 HG SER A 6 -11.103 -8.797 -3.374 1.00 0.00 H new ATOM 59 N GLY A 7 -8.588 -4.110 -3.996 1.00 0.00 N ATOM 60 CA GLY A 7 -7.651 -3.153 -3.435 1.00 0.00 C ATOM 61 C GLY A 7 -8.309 -2.205 -2.453 1.00 0.00 C ATOM 62 O GLY A 7 -9.536 -2.120 -2.389 1.00 0.00 O ATOM 0 H GLY A 7 -9.455 -3.704 -4.349 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.845 -3.689 -2.933 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.197 -2.578 -4.242 1.00 0.00 H new ATOM 66 N ILE A 8 -7.493 -1.490 -1.686 1.00 0.00 N ATOM 67 CA ILE A 8 -8.004 -0.544 -0.702 1.00 0.00 C ATOM 68 C ILE A 8 -7.526 0.873 -1.002 1.00 0.00 C ATOM 69 O ILE A 8 -6.483 1.067 -1.626 1.00 0.00 O ATOM 70 CB ILE A 8 -7.572 -0.927 0.726 1.00 0.00 C ATOM 71 CG1 ILE A 8 -6.058 -0.773 0.882 1.00 0.00 C ATOM 72 CG2 ILE A 8 -8.001 -2.352 1.044 1.00 0.00 C ATOM 73 CD1 ILE A 8 -5.615 -0.582 2.316 1.00 0.00 C ATOM 0 H ILE A 8 -6.475 -1.548 -1.727 1.00 0.00 H new ATOM 0 HA ILE A 8 -9.092 -0.580 -0.766 1.00 0.00 H new ATOM 0 HB ILE A 8 -8.061 -0.255 1.431 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.567 -1.656 0.473 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -5.725 0.080 0.291 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.689 -2.609 2.056 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -9.085 -2.431 0.968 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -7.536 -3.038 0.336 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -4.530 -0.480 2.351 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.078 0.317 2.723 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -5.917 -1.446 2.908 1.00 0.00 H new ATOM 85 N GLN A 9 -8.296 1.859 -0.553 1.00 0.00 N ATOM 86 CA GLN A 9 -7.950 3.258 -0.773 1.00 0.00 C ATOM 87 C GLN A 9 -7.515 3.923 0.529 1.00 0.00 C ATOM 88 O GLN A 9 -8.229 3.878 1.530 1.00 0.00 O ATOM 89 CB GLN A 9 -9.140 4.011 -1.371 1.00 0.00 C ATOM 90 CG GLN A 9 -8.767 5.354 -1.979 1.00 0.00 C ATOM 91 CD GLN A 9 -9.965 6.094 -2.540 1.00 0.00 C ATOM 92 OE1 GLN A 9 -10.525 6.976 -1.888 1.00 0.00 O ATOM 93 NE2 GLN A 9 -10.366 5.738 -3.754 1.00 0.00 N ATOM 0 H GLN A 9 -9.163 1.715 -0.035 1.00 0.00 H new ATOM 0 HA GLN A 9 -7.116 3.294 -1.474 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -9.604 3.391 -2.138 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -9.888 4.169 -0.593 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -8.287 5.971 -1.220 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -8.036 5.199 -2.773 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -9.872 5.002 -4.259 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -11.168 6.201 -4.182 1.00 0.00 H new ATOM 102 N VAL A 10 -6.337 4.539 0.508 1.00 0.00 N ATOM 103 CA VAL A 10 -5.806 5.213 1.686 1.00 0.00 C ATOM 104 C VAL A 10 -5.677 6.714 1.449 1.00 0.00 C ATOM 105 O VAL A 10 -5.352 7.154 0.346 1.00 0.00 O ATOM 106 CB VAL A 10 -4.430 4.648 2.084 1.00 0.00 C ATOM 107 CG1 VAL A 10 -4.519 3.150 2.332 1.00 0.00 C ATOM 108 CG2 VAL A 10 -3.396 4.958 1.012 1.00 0.00 C ATOM 0 H VAL A 10 -5.733 4.585 -0.312 1.00 0.00 H new ATOM 0 HA VAL A 10 -6.512 5.035 2.497 1.00 0.00 H new ATOM 0 HB VAL A 10 -4.114 5.128 3.011 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.537 2.769 2.612 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -5.227 2.956 3.138 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -4.857 2.650 1.424 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -2.430 4.551 1.310 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.704 4.507 0.068 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.313 6.038 0.888 1.00 0.00 H new ATOM 118 N PHE A 11 -5.934 7.496 2.492 1.00 0.00 N ATOM 119 CA PHE A 11 -5.848 8.949 2.398 1.00 0.00 C ATOM 120 C PHE A 11 -4.529 9.454 2.976 1.00 0.00 C ATOM 121 O PHE A 11 -4.321 9.431 4.190 1.00 0.00 O ATOM 122 CB PHE A 11 -7.022 9.599 3.132 1.00 0.00 C ATOM 123 CG PHE A 11 -8.315 9.536 2.370 1.00 0.00 C ATOM 124 CD1 PHE A 11 -8.559 10.407 1.320 1.00 0.00 C ATOM 125 CD2 PHE A 11 -9.286 8.606 2.703 1.00 0.00 C ATOM 126 CE1 PHE A 11 -9.747 10.352 0.616 1.00 0.00 C ATOM 127 CE2 PHE A 11 -10.476 8.545 2.002 1.00 0.00 C ATOM 128 CZ PHE A 11 -10.707 9.420 0.959 1.00 0.00 C ATOM 0 H PHE A 11 -6.204 7.148 3.412 1.00 0.00 H new ATOM 0 HA PHE A 11 -5.891 9.223 1.344 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -7.154 9.108 4.096 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -6.780 10.642 3.336 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -7.812 11.138 1.049 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -9.111 7.921 3.519 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -9.924 11.036 -0.201 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -11.224 7.814 2.270 1.00 0.00 H new ATOM 0 HZ PHE A 11 -11.637 9.376 0.412 1.00 0.00 H new ATOM 138 N VAL A 12 -3.641 9.909 2.099 1.00 0.00 N ATOM 139 CA VAL A 12 -2.342 10.420 2.521 1.00 0.00 C ATOM 140 C VAL A 12 -2.406 11.917 2.804 1.00 0.00 C ATOM 141 O VAL A 12 -2.559 12.727 1.890 1.00 0.00 O ATOM 142 CB VAL A 12 -1.262 10.156 1.455 1.00 0.00 C ATOM 143 CG1 VAL A 12 0.091 10.665 1.929 1.00 0.00 C ATOM 144 CG2 VAL A 12 -1.196 8.674 1.119 1.00 0.00 C ATOM 0 H VAL A 12 -3.797 9.934 1.091 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.076 9.891 3.436 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.530 10.698 0.548 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.842 10.470 1.163 1.00 0.00 H new ATOM 0 HG12 VAL A 12 0.032 11.738 2.114 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.370 10.153 2.850 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.428 8.506 0.364 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.952 8.108 2.018 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.161 8.345 0.734 1.00 0.00 H new ATOM 154 N LYS A 13 -2.288 12.278 4.077 1.00 0.00 N ATOM 155 CA LYS A 13 -2.330 13.678 4.483 1.00 0.00 C ATOM 156 C LYS A 13 -0.935 14.293 4.462 1.00 0.00 C ATOM 157 O LYS A 13 -0.127 14.053 5.358 1.00 0.00 O ATOM 158 CB LYS A 13 -2.935 13.806 5.883 1.00 0.00 C ATOM 159 CG LYS A 13 -3.061 15.242 6.361 1.00 0.00 C ATOM 160 CD LYS A 13 -4.209 15.404 7.344 1.00 0.00 C ATOM 161 CE LYS A 13 -4.132 16.734 8.078 1.00 0.00 C ATOM 162 NZ LYS A 13 -5.411 17.062 8.767 1.00 0.00 N ATOM 0 H LYS A 13 -2.162 11.620 4.846 1.00 0.00 H new ATOM 0 HA LYS A 13 -2.956 14.218 3.772 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.921 13.342 5.887 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -2.318 13.250 6.589 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.129 15.552 6.834 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.218 15.899 5.505 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.158 15.336 6.811 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.189 14.587 8.066 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -3.324 16.699 8.809 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -3.887 17.526 7.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.318 17.975 9.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.178 17.120 8.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -5.632 16.319 9.461 1.00 0.00 H new ATOM 176 N ASN A 14 -0.659 15.089 3.433 1.00 0.00 N ATOM 177 CA ASN A 14 0.639 15.739 3.297 1.00 0.00 C ATOM 178 C ASN A 14 0.826 16.811 4.366 1.00 0.00 C ATOM 179 O ASN A 14 -0.134 17.407 4.857 1.00 0.00 O ATOM 180 CB ASN A 14 0.778 16.361 1.906 1.00 0.00 C ATOM 181 CG ASN A 14 -0.148 17.545 1.707 1.00 0.00 C ATOM 182 OD1 ASN A 14 -1.042 17.791 2.517 1.00 0.00 O ATOM 183 ND2 ASN A 14 0.062 18.285 0.625 1.00 0.00 N ATOM 0 H ASN A 14 -1.317 15.299 2.682 1.00 0.00 H new ATOM 0 HA ASN A 14 1.412 14.982 3.428 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.809 16.680 1.755 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.565 15.605 1.150 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -0.530 19.095 0.438 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.815 18.044 -0.019 1.00 0.00 H new ATOM 190 N PRO A 15 2.090 17.065 4.736 1.00 0.00 N ATOM 191 CA PRO A 15 2.432 18.067 5.749 1.00 0.00 C ATOM 192 C PRO A 15 2.185 19.491 5.263 1.00 0.00 C ATOM 193 O PRO A 15 2.193 20.436 6.052 1.00 0.00 O ATOM 194 CB PRO A 15 3.927 17.835 5.987 1.00 0.00 C ATOM 195 CG PRO A 15 4.420 17.221 4.723 1.00 0.00 C ATOM 196 CD PRO A 15 3.282 16.393 4.192 1.00 0.00 C ATOM 0 HA PRO A 15 1.822 17.963 6.646 1.00 0.00 H new ATOM 0 HB2 PRO A 15 4.444 18.771 6.201 1.00 0.00 H new ATOM 0 HB3 PRO A 15 4.095 17.176 6.839 1.00 0.00 H new ATOM 0 HG2 PRO A 15 4.713 17.987 4.005 1.00 0.00 H new ATOM 0 HG3 PRO A 15 5.299 16.603 4.906 1.00 0.00 H new ATOM 0 HD2 PRO A 15 3.272 16.376 3.102 1.00 0.00 H new ATOM 0 HD3 PRO A 15 3.348 15.358 4.527 1.00 0.00 H new ATOM 204 N ASP A 16 1.966 19.637 3.961 1.00 0.00 N ATOM 205 CA ASP A 16 1.714 20.947 3.371 1.00 0.00 C ATOM 206 C ASP A 16 0.230 21.294 3.430 1.00 0.00 C ATOM 207 O ASP A 16 -0.140 22.438 3.691 1.00 0.00 O ATOM 208 CB ASP A 16 2.200 20.977 1.921 1.00 0.00 C ATOM 209 CG ASP A 16 1.760 22.230 1.189 1.00 0.00 C ATOM 210 OD1 ASP A 16 2.004 23.338 1.710 1.00 0.00 O ATOM 211 OD2 ASP A 16 1.173 22.102 0.095 1.00 0.00 O ATOM 0 H ASP A 16 1.958 18.865 3.294 1.00 0.00 H new ATOM 0 HA ASP A 16 2.265 21.690 3.947 1.00 0.00 H new ATOM 0 HB2 ASP A 16 3.288 20.913 1.904 1.00 0.00 H new ATOM 0 HB3 ASP A 16 1.821 20.101 1.395 1.00 0.00 H new ATOM 216 N GLY A 17 -0.616 20.298 3.186 1.00 0.00 N ATOM 217 CA GLY A 17 -2.050 20.519 3.216 1.00 0.00 C ATOM 218 C GLY A 17 -2.766 19.835 2.068 1.00 0.00 C ATOM 219 O GLY A 17 -2.409 20.022 0.905 1.00 0.00 O ATOM 0 H GLY A 17 -0.334 19.342 2.968 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.451 20.152 4.161 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -2.250 21.590 3.179 1.00 0.00 H new ATOM 223 N GLY A 18 -3.780 19.039 2.394 1.00 0.00 N ATOM 224 CA GLY A 18 -4.530 18.336 1.370 1.00 0.00 C ATOM 225 C GLY A 18 -4.233 16.850 1.351 1.00 0.00 C ATOM 226 O GLY A 18 -3.093 16.440 1.131 1.00 0.00 O ATOM 0 H GLY A 18 -4.095 18.869 3.349 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.596 18.488 1.536 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -4.295 18.763 0.395 1.00 0.00 H new ATOM 230 N SER A 19 -5.261 16.039 1.584 1.00 0.00 N ATOM 231 CA SER A 19 -5.103 14.590 1.598 1.00 0.00 C ATOM 232 C SER A 19 -5.505 13.986 0.256 1.00 0.00 C ATOM 233 O SER A 19 -6.597 14.245 -0.252 1.00 0.00 O ATOM 234 CB SER A 19 -5.944 13.975 2.718 1.00 0.00 C ATOM 235 OG SER A 19 -7.287 14.422 2.652 1.00 0.00 O ATOM 0 H SER A 19 -6.212 16.361 1.765 1.00 0.00 H new ATOM 0 HA SER A 19 -4.051 14.366 1.777 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.915 12.888 2.643 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.517 14.240 3.685 1.00 0.00 H new ATOM 0 HG SER A 19 -7.556 14.513 1.714 1.00 0.00 H new ATOM 241 N TYR A 20 -4.615 13.182 -0.314 1.00 0.00 N ATOM 242 CA TYR A 20 -4.874 12.542 -1.599 1.00 0.00 C ATOM 243 C TYR A 20 -5.387 11.119 -1.405 1.00 0.00 C ATOM 244 O TYR A 20 -5.257 10.541 -0.326 1.00 0.00 O ATOM 245 CB TYR A 20 -3.604 12.528 -2.451 1.00 0.00 C ATOM 246 CG TYR A 20 -2.793 13.800 -2.351 1.00 0.00 C ATOM 247 CD1 TYR A 20 -3.080 14.895 -3.156 1.00 0.00 C ATOM 248 CD2 TYR A 20 -1.741 13.908 -1.450 1.00 0.00 C ATOM 249 CE1 TYR A 20 -2.341 16.059 -3.069 1.00 0.00 C ATOM 250 CE2 TYR A 20 -0.998 15.068 -1.354 1.00 0.00 C ATOM 251 CZ TYR A 20 -1.301 16.141 -2.166 1.00 0.00 C ATOM 252 OH TYR A 20 -0.564 17.299 -2.075 1.00 0.00 O ATOM 0 H TYR A 20 -3.707 12.957 0.093 1.00 0.00 H new ATOM 0 HA TYR A 20 -5.642 13.118 -2.115 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -2.982 11.686 -2.147 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.878 12.363 -3.493 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -3.895 14.835 -3.862 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -1.500 13.070 -0.813 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -2.576 16.900 -3.704 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -0.184 15.135 -0.647 1.00 0.00 H new ATOM 0 HH TYR A 20 -1.129 18.065 -2.307 1.00 0.00 H new ATOM 262 N ALA A 21 -5.970 10.558 -2.460 1.00 0.00 N ATOM 263 CA ALA A 21 -6.500 9.201 -2.409 1.00 0.00 C ATOM 264 C ALA A 21 -5.689 8.261 -3.296 1.00 0.00 C ATOM 265 O ALA A 21 -5.716 8.372 -4.522 1.00 0.00 O ATOM 266 CB ALA A 21 -7.963 9.190 -2.824 1.00 0.00 C ATOM 0 H ALA A 21 -6.087 11.023 -3.360 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.423 8.846 -1.381 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.346 8.170 -2.781 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.538 9.822 -2.147 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.055 9.570 -3.841 1.00 0.00 H new ATOM 272 N TYR A 22 -4.970 7.338 -2.668 1.00 0.00 N ATOM 273 CA TYR A 22 -4.150 6.380 -3.401 1.00 0.00 C ATOM 274 C TYR A 22 -4.834 5.019 -3.472 1.00 0.00 C ATOM 275 O TYR A 22 -5.792 4.754 -2.747 1.00 0.00 O ATOM 276 CB TYR A 22 -2.778 6.240 -2.738 1.00 0.00 C ATOM 277 CG TYR A 22 -1.871 7.428 -2.967 1.00 0.00 C ATOM 278 CD1 TYR A 22 -1.987 8.576 -2.193 1.00 0.00 C ATOM 279 CD2 TYR A 22 -0.896 7.401 -3.958 1.00 0.00 C ATOM 280 CE1 TYR A 22 -1.160 9.663 -2.400 1.00 0.00 C ATOM 281 CE2 TYR A 22 -0.065 8.483 -4.171 1.00 0.00 C ATOM 282 CZ TYR A 22 -0.201 9.612 -3.390 1.00 0.00 C ATOM 283 OH TYR A 22 0.626 10.693 -3.598 1.00 0.00 O ATOM 0 H TYR A 22 -4.938 7.232 -1.654 1.00 0.00 H new ATOM 0 HA TYR A 22 -4.020 6.754 -4.417 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -2.915 6.099 -1.666 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.290 5.342 -3.118 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -2.736 8.619 -1.416 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -0.787 6.519 -4.571 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -1.264 10.548 -1.790 1.00 0.00 H new ATOM 0 HE2 TYR A 22 0.687 8.446 -4.945 1.00 0.00 H new ATOM 0 HH TYR A 22 0.759 11.171 -2.753 1.00 0.00 H new ATOM 293 N ALA A 23 -4.333 4.158 -4.352 1.00 0.00 N ATOM 294 CA ALA A 23 -4.893 2.822 -4.518 1.00 0.00 C ATOM 295 C ALA A 23 -3.799 1.761 -4.487 1.00 0.00 C ATOM 296 O ALA A 23 -2.903 1.754 -5.332 1.00 0.00 O ATOM 297 CB ALA A 23 -5.678 2.736 -5.819 1.00 0.00 C ATOM 0 H ALA A 23 -3.540 4.362 -4.961 1.00 0.00 H new ATOM 0 HA ALA A 23 -5.570 2.633 -3.685 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -6.090 1.733 -5.930 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.490 3.462 -5.802 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -5.016 2.951 -6.658 1.00 0.00 H new ATOM 303 N ILE A 24 -3.878 0.865 -3.508 1.00 0.00 N ATOM 304 CA ILE A 24 -2.894 -0.201 -3.369 1.00 0.00 C ATOM 305 C ILE A 24 -3.516 -1.445 -2.742 1.00 0.00 C ATOM 306 O ILE A 24 -4.268 -1.354 -1.773 1.00 0.00 O ATOM 307 CB ILE A 24 -1.696 0.247 -2.511 1.00 0.00 C ATOM 308 CG1 ILE A 24 -0.728 -0.919 -2.298 1.00 0.00 C ATOM 309 CG2 ILE A 24 -2.176 0.795 -1.175 1.00 0.00 C ATOM 310 CD1 ILE A 24 0.635 -0.490 -1.803 1.00 0.00 C ATOM 0 H ILE A 24 -4.613 0.857 -2.800 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.543 -0.439 -4.373 1.00 0.00 H new ATOM 0 HB ILE A 24 -1.168 1.041 -3.038 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -1.163 -1.616 -1.581 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -0.611 -1.460 -3.237 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -1.318 1.107 -0.580 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -2.829 1.650 -1.346 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -2.725 0.020 -0.640 1.00 0.00 H new ATOM 0 HD11 ILE A 24 1.268 -1.368 -1.674 1.00 0.00 H new ATOM 0 HD12 ILE A 24 1.091 0.183 -2.529 1.00 0.00 H new ATOM 0 HD13 ILE A 24 0.530 0.025 -0.848 1.00 0.00 H new ATOM 322 N ASN A 25 -3.195 -2.606 -3.303 1.00 0.00 N ATOM 323 CA ASN A 25 -3.722 -3.870 -2.798 1.00 0.00 C ATOM 324 C ASN A 25 -3.273 -4.110 -1.360 1.00 0.00 C ATOM 325 O ASN A 25 -2.153 -3.779 -0.969 1.00 0.00 O ATOM 326 CB ASN A 25 -3.265 -5.028 -3.687 1.00 0.00 C ATOM 327 CG ASN A 25 -3.839 -4.942 -5.089 1.00 0.00 C ATOM 328 OD1 ASN A 25 -5.039 -4.737 -5.269 1.00 0.00 O ATOM 329 ND2 ASN A 25 -2.980 -5.098 -6.090 1.00 0.00 N ATOM 0 H ASN A 25 -2.573 -2.699 -4.106 1.00 0.00 H new ATOM 0 HA ASN A 25 -4.810 -3.815 -2.816 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -2.176 -5.032 -3.743 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -3.565 -5.972 -3.232 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -3.307 -5.050 -7.055 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -1.993 -5.266 -5.894 1.00 0.00 H new ATOM 336 N PRO A 26 -4.166 -4.702 -0.553 1.00 0.00 N ATOM 337 CA PRO A 26 -3.884 -5.001 0.855 1.00 0.00 C ATOM 338 C PRO A 26 -2.855 -6.115 1.015 1.00 0.00 C ATOM 339 O PRO A 26 -2.379 -6.378 2.119 1.00 0.00 O ATOM 340 CB PRO A 26 -5.243 -5.446 1.401 1.00 0.00 C ATOM 341 CG PRO A 26 -5.981 -5.957 0.212 1.00 0.00 C ATOM 342 CD PRO A 26 -5.519 -5.124 -0.951 1.00 0.00 C ATOM 0 HA PRO A 26 -3.459 -4.144 1.377 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -5.130 -6.220 2.160 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -5.773 -4.616 1.869 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -5.768 -7.013 0.045 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -7.058 -5.867 0.353 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -5.504 -5.699 -1.877 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -6.174 -4.269 -1.118 1.00 0.00 H new ATOM 350 N ASN A 27 -2.516 -6.765 -0.093 1.00 0.00 N ATOM 351 CA ASN A 27 -1.543 -7.851 -0.074 1.00 0.00 C ATOM 352 C ASN A 27 -0.139 -7.329 -0.365 1.00 0.00 C ATOM 353 O ASN A 27 0.856 -7.946 0.016 1.00 0.00 O ATOM 354 CB ASN A 27 -1.922 -8.922 -1.099 1.00 0.00 C ATOM 355 CG ASN A 27 -3.117 -9.746 -0.659 1.00 0.00 C ATOM 356 OD1 ASN A 27 -4.264 -9.322 -0.804 1.00 0.00 O ATOM 357 ND2 ASN A 27 -2.853 -10.929 -0.118 1.00 0.00 N ATOM 0 H ASN A 27 -2.900 -6.559 -1.015 1.00 0.00 H new ATOM 0 HA ASN A 27 -1.549 -8.292 0.923 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -2.145 -8.445 -2.053 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -1.070 -9.582 -1.263 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -3.616 -11.527 0.197 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -1.887 -11.240 -0.018 1.00 0.00 H new ATOM 364 N SER A 28 -0.067 -6.187 -1.042 1.00 0.00 N ATOM 365 CA SER A 28 1.215 -5.582 -1.386 1.00 0.00 C ATOM 366 C SER A 28 1.896 -5.009 -0.147 1.00 0.00 C ATOM 367 O SER A 28 1.236 -4.660 0.832 1.00 0.00 O ATOM 368 CB SER A 28 1.019 -4.481 -2.430 1.00 0.00 C ATOM 369 OG SER A 28 0.921 -5.026 -3.734 1.00 0.00 O ATOM 0 H SER A 28 -0.881 -5.662 -1.363 1.00 0.00 H new ATOM 0 HA SER A 28 1.855 -6.359 -1.804 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.116 -3.915 -2.201 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.854 -3.782 -2.387 1.00 0.00 H new ATOM 0 HG SER A 28 0.794 -4.302 -4.382 1.00 0.00 H new ATOM 375 N PHE A 29 3.220 -4.916 -0.197 1.00 0.00 N ATOM 376 CA PHE A 29 3.993 -4.387 0.921 1.00 0.00 C ATOM 377 C PHE A 29 3.734 -2.894 1.102 1.00 0.00 C ATOM 378 O PHE A 29 3.267 -2.219 0.185 1.00 0.00 O ATOM 379 CB PHE A 29 5.486 -4.633 0.698 1.00 0.00 C ATOM 380 CG PHE A 29 5.799 -6.017 0.205 1.00 0.00 C ATOM 381 CD1 PHE A 29 5.995 -7.058 1.098 1.00 0.00 C ATOM 382 CD2 PHE A 29 5.895 -6.278 -1.153 1.00 0.00 C ATOM 383 CE1 PHE A 29 6.284 -8.332 0.647 1.00 0.00 C ATOM 384 CE2 PHE A 29 6.183 -7.550 -1.610 1.00 0.00 C ATOM 385 CZ PHE A 29 6.376 -8.578 -0.709 1.00 0.00 C ATOM 0 H PHE A 29 3.781 -5.200 -1.000 1.00 0.00 H new ATOM 0 HA PHE A 29 3.678 -4.906 1.826 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.862 -3.906 -0.022 1.00 0.00 H new ATOM 0 HB3 PHE A 29 6.018 -4.460 1.633 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.921 -6.872 2.159 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.743 -5.478 -1.862 1.00 0.00 H new ATOM 0 HE1 PHE A 29 6.438 -9.134 1.354 1.00 0.00 H new ATOM 0 HE2 PHE A 29 6.257 -7.740 -2.671 1.00 0.00 H new ATOM 0 HZ PHE A 29 6.599 -9.573 -1.064 1.00 0.00 H new ATOM 395 N ILE A 30 4.039 -2.387 2.292 1.00 0.00 N ATOM 396 CA ILE A 30 3.840 -0.975 2.594 1.00 0.00 C ATOM 397 C ILE A 30 4.636 -0.091 1.640 1.00 0.00 C ATOM 398 O ILE A 30 4.175 0.977 1.235 1.00 0.00 O ATOM 399 CB ILE A 30 4.249 -0.646 4.042 1.00 0.00 C ATOM 400 CG1 ILE A 30 3.300 -1.327 5.030 1.00 0.00 C ATOM 401 CG2 ILE A 30 4.259 0.859 4.260 1.00 0.00 C ATOM 402 CD1 ILE A 30 1.947 -0.656 5.129 1.00 0.00 C ATOM 0 H ILE A 30 4.425 -2.933 3.062 1.00 0.00 H new ATOM 0 HA ILE A 30 2.776 -0.773 2.470 1.00 0.00 H new ATOM 0 HB ILE A 30 5.256 -1.025 4.215 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.160 -2.366 4.730 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.763 -1.340 6.017 1.00 0.00 H new ATOM 0 HG21 ILE A 30 4.550 1.076 5.288 1.00 0.00 H new ATOM 0 HG22 ILE A 30 4.971 1.321 3.576 1.00 0.00 H new ATOM 0 HG23 ILE A 30 3.263 1.260 4.072 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.327 -1.192 5.847 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.075 0.375 5.459 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.463 -0.667 4.152 1.00 0.00 H new ATOM 414 N LEU A 31 5.833 -0.544 1.282 1.00 0.00 N ATOM 415 CA LEU A 31 6.694 0.205 0.373 1.00 0.00 C ATOM 416 C LEU A 31 5.959 0.540 -0.920 1.00 0.00 C ATOM 417 O LEU A 31 6.144 1.614 -1.492 1.00 0.00 O ATOM 418 CB LEU A 31 7.959 -0.597 0.061 1.00 0.00 C ATOM 419 CG LEU A 31 9.086 0.171 -0.630 1.00 0.00 C ATOM 420 CD1 LEU A 31 9.708 1.180 0.323 1.00 0.00 C ATOM 421 CD2 LEU A 31 10.143 -0.791 -1.155 1.00 0.00 C ATOM 0 H LEU A 31 6.229 -1.426 1.607 1.00 0.00 H new ATOM 0 HA LEU A 31 6.974 1.138 0.862 1.00 0.00 H new ATOM 0 HB2 LEU A 31 8.345 -1.007 0.994 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.683 -1.443 -0.569 1.00 0.00 H new ATOM 0 HG LEU A 31 8.664 0.714 -1.476 1.00 0.00 H new ATOM 0 HD11 LEU A 31 10.508 1.717 -0.187 1.00 0.00 H new ATOM 0 HD12 LEU A 31 8.947 1.888 0.650 1.00 0.00 H new ATOM 0 HD13 LEU A 31 10.115 0.659 1.189 1.00 0.00 H new ATOM 0 HD21 LEU A 31 10.938 -0.227 -1.644 1.00 0.00 H new ATOM 0 HD22 LEU A 31 10.560 -1.361 -0.325 1.00 0.00 H new ATOM 0 HD23 LEU A 31 9.689 -1.474 -1.873 1.00 0.00 H new ATOM 433 N GLY A 32 5.121 -0.386 -1.376 1.00 0.00 N ATOM 434 CA GLY A 32 4.368 -0.169 -2.598 1.00 0.00 C ATOM 435 C GLY A 32 3.573 1.122 -2.568 1.00 0.00 C ATOM 436 O GLY A 32 3.225 1.670 -3.615 1.00 0.00 O ATOM 0 H GLY A 32 4.950 -1.283 -0.921 1.00 0.00 H new ATOM 0 HA2 GLY A 32 5.054 -0.150 -3.445 1.00 0.00 H new ATOM 0 HA3 GLY A 32 3.689 -1.007 -2.756 1.00 0.00 H new ATOM 440 N LEU A 33 3.284 1.608 -1.366 1.00 0.00 N ATOM 441 CA LEU A 33 2.524 2.842 -1.203 1.00 0.00 C ATOM 442 C LEU A 33 3.440 4.060 -1.271 1.00 0.00 C ATOM 443 O LEU A 33 3.193 4.995 -2.033 1.00 0.00 O ATOM 444 CB LEU A 33 1.772 2.829 0.129 1.00 0.00 C ATOM 445 CG LEU A 33 1.105 4.144 0.536 1.00 0.00 C ATOM 446 CD1 LEU A 33 0.080 4.566 -0.505 1.00 0.00 C ATOM 447 CD2 LEU A 33 0.454 4.009 1.905 1.00 0.00 C ATOM 0 H LEU A 33 3.564 1.167 -0.490 1.00 0.00 H new ATOM 0 HA LEU A 33 1.804 2.906 -2.019 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.006 2.055 0.083 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.470 2.540 0.915 1.00 0.00 H new ATOM 0 HG LEU A 33 1.872 4.917 0.595 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.385 5.503 -0.199 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.574 4.703 -1.467 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.685 3.795 -0.596 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.016 4.954 2.179 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.301 3.224 1.873 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.212 3.753 2.645 1.00 0.00 H new ATOM 459 N LYS A 34 4.501 4.041 -0.471 1.00 0.00 N ATOM 460 CA LYS A 34 5.457 5.141 -0.442 1.00 0.00 C ATOM 461 C LYS A 34 5.869 5.541 -1.855 1.00 0.00 C ATOM 462 O LYS A 34 5.816 6.716 -2.217 1.00 0.00 O ATOM 463 CB LYS A 34 6.694 4.747 0.369 1.00 0.00 C ATOM 464 CG LYS A 34 6.579 5.070 1.848 1.00 0.00 C ATOM 465 CD LYS A 34 5.874 3.960 2.608 1.00 0.00 C ATOM 466 CE LYS A 34 6.045 4.117 4.112 1.00 0.00 C ATOM 467 NZ LYS A 34 7.425 3.771 4.552 1.00 0.00 N ATOM 0 H LYS A 34 4.720 3.275 0.166 1.00 0.00 H new ATOM 0 HA LYS A 34 4.975 5.996 0.033 1.00 0.00 H new ATOM 0 HB2 LYS A 34 6.870 3.678 0.252 1.00 0.00 H new ATOM 0 HB3 LYS A 34 7.565 5.260 -0.040 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.574 5.223 2.266 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.032 6.004 1.976 1.00 0.00 H new ATOM 0 HD2 LYS A 34 4.813 3.965 2.359 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.271 2.994 2.295 1.00 0.00 H new ATOM 0 HE2 LYS A 34 5.819 5.144 4.398 1.00 0.00 H new ATOM 0 HE3 LYS A 34 5.328 3.478 4.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 7.453 3.709 5.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 7.701 2.855 4.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 8.086 4.507 4.231 1.00 0.00 H new ATOM 481 N GLN A 35 6.278 4.557 -2.649 1.00 0.00 N ATOM 482 CA GLN A 35 6.698 4.808 -4.023 1.00 0.00 C ATOM 483 C GLN A 35 5.674 5.667 -4.757 1.00 0.00 C ATOM 484 O GLN A 35 6.033 6.602 -5.471 1.00 0.00 O ATOM 485 CB GLN A 35 6.900 3.486 -4.766 1.00 0.00 C ATOM 486 CG GLN A 35 7.426 3.659 -6.182 1.00 0.00 C ATOM 487 CD GLN A 35 8.939 3.743 -6.236 1.00 0.00 C ATOM 488 OE1 GLN A 35 9.627 2.723 -6.286 1.00 0.00 O ATOM 489 NE2 GLN A 35 9.465 4.962 -6.227 1.00 0.00 N ATOM 0 H GLN A 35 6.328 3.579 -2.365 1.00 0.00 H new ATOM 0 HA GLN A 35 7.644 5.349 -3.994 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.596 2.864 -4.202 1.00 0.00 H new ATOM 0 HB3 GLN A 35 5.951 2.950 -4.802 1.00 0.00 H new ATOM 0 HG2 GLN A 35 7.090 2.823 -6.795 1.00 0.00 H new ATOM 0 HG3 GLN A 35 7.000 4.564 -6.616 1.00 0.00 H new ATOM 0 HE21 GLN A 35 8.857 5.780 -6.185 1.00 0.00 H new ATOM 0 HE22 GLN A 35 10.477 5.081 -6.262 1.00 0.00 H new ATOM 498 N GLN A 36 4.398 5.342 -4.575 1.00 0.00 N ATOM 499 CA GLN A 36 3.322 6.084 -5.222 1.00 0.00 C ATOM 500 C GLN A 36 3.325 7.544 -4.780 1.00 0.00 C ATOM 501 O GLN A 36 2.926 8.432 -5.534 1.00 0.00 O ATOM 502 CB GLN A 36 1.970 5.445 -4.902 1.00 0.00 C ATOM 503 CG GLN A 36 1.629 4.264 -5.796 1.00 0.00 C ATOM 504 CD GLN A 36 0.149 3.932 -5.786 1.00 0.00 C ATOM 505 OE1 GLN A 36 -0.630 4.492 -6.558 1.00 0.00 O ATOM 506 NE2 GLN A 36 -0.246 3.016 -4.910 1.00 0.00 N ATOM 0 H GLN A 36 4.084 4.571 -3.986 1.00 0.00 H new ATOM 0 HA GLN A 36 3.487 6.049 -6.299 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.970 5.116 -3.863 1.00 0.00 H new ATOM 0 HB3 GLN A 36 1.189 6.200 -4.997 1.00 0.00 H new ATOM 0 HG2 GLN A 36 1.941 4.484 -6.817 1.00 0.00 H new ATOM 0 HG3 GLN A 36 2.195 3.391 -5.471 1.00 0.00 H new ATOM 0 HE21 GLN A 36 0.434 2.577 -4.289 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -1.230 2.751 -4.858 1.00 0.00 H new ATOM 515 N ILE A 37 3.777 7.784 -3.553 1.00 0.00 N ATOM 516 CA ILE A 37 3.832 9.136 -3.012 1.00 0.00 C ATOM 517 C ILE A 37 5.050 9.889 -3.537 1.00 0.00 C ATOM 518 O ILE A 37 5.004 11.104 -3.730 1.00 0.00 O ATOM 519 CB ILE A 37 3.874 9.125 -1.472 1.00 0.00 C ATOM 520 CG1 ILE A 37 2.631 8.432 -0.911 1.00 0.00 C ATOM 521 CG2 ILE A 37 3.985 10.544 -0.935 1.00 0.00 C ATOM 522 CD1 ILE A 37 2.823 7.882 0.485 1.00 0.00 C ATOM 0 H ILE A 37 4.110 7.060 -2.916 1.00 0.00 H new ATOM 0 HA ILE A 37 2.925 9.644 -3.339 1.00 0.00 H new ATOM 0 HB ILE A 37 4.753 8.567 -1.151 1.00 0.00 H new ATOM 0 HG12 ILE A 37 1.803 9.141 -0.903 1.00 0.00 H new ATOM 0 HG13 ILE A 37 2.347 7.618 -1.578 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.014 10.520 0.154 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.898 11.005 -1.312 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.123 11.125 -1.262 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.901 7.405 0.818 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.630 7.149 0.479 1.00 0.00 H new ATOM 0 HD13 ILE A 37 3.077 8.695 1.165 1.00 0.00 H new ATOM 534 N GLU A 38 6.136 9.159 -3.767 1.00 0.00 N ATOM 535 CA GLU A 38 7.366 9.759 -4.271 1.00 0.00 C ATOM 536 C GLU A 38 7.259 10.045 -5.767 1.00 0.00 C ATOM 537 O GLU A 38 7.655 11.112 -6.235 1.00 0.00 O ATOM 538 CB GLU A 38 8.557 8.838 -4.002 1.00 0.00 C ATOM 539 CG GLU A 38 9.807 9.214 -4.781 1.00 0.00 C ATOM 540 CD GLU A 38 9.712 8.846 -6.249 1.00 0.00 C ATOM 541 OE1 GLU A 38 9.408 7.672 -6.547 1.00 0.00 O ATOM 542 OE2 GLU A 38 9.941 9.731 -7.099 1.00 0.00 O ATOM 0 H GLU A 38 6.190 8.152 -3.613 1.00 0.00 H new ATOM 0 HA GLU A 38 7.520 10.703 -3.748 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.785 8.855 -2.936 1.00 0.00 H new ATOM 0 HB3 GLU A 38 8.278 7.815 -4.252 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.979 10.286 -4.689 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.670 8.714 -4.340 1.00 0.00 H new ATOM 549 N ASP A 39 6.721 9.084 -6.509 1.00 0.00 N ATOM 550 CA ASP A 39 6.560 9.232 -7.951 1.00 0.00 C ATOM 551 C ASP A 39 5.474 10.253 -8.275 1.00 0.00 C ATOM 552 O ASP A 39 5.413 10.775 -9.388 1.00 0.00 O ATOM 553 CB ASP A 39 6.217 7.884 -8.588 1.00 0.00 C ATOM 554 CG ASP A 39 7.446 7.030 -8.832 1.00 0.00 C ATOM 555 OD1 ASP A 39 8.451 7.568 -9.341 1.00 0.00 O ATOM 556 OD2 ASP A 39 7.402 5.823 -8.515 1.00 0.00 O ATOM 0 H ASP A 39 6.389 8.194 -6.136 1.00 0.00 H new ATOM 0 HA ASP A 39 7.504 9.590 -8.362 1.00 0.00 H new ATOM 0 HB2 ASP A 39 5.526 7.345 -7.940 1.00 0.00 H new ATOM 0 HB3 ASP A 39 5.702 8.053 -9.534 1.00 0.00 H new ATOM 561 N GLN A 40 4.619 10.531 -7.296 1.00 0.00 N ATOM 562 CA GLN A 40 3.535 11.488 -7.479 1.00 0.00 C ATOM 563 C GLN A 40 3.907 12.850 -6.901 1.00 0.00 C ATOM 564 O GLN A 40 3.828 13.868 -7.587 1.00 0.00 O ATOM 565 CB GLN A 40 2.255 10.973 -6.819 1.00 0.00 C ATOM 566 CG GLN A 40 1.549 9.892 -7.621 1.00 0.00 C ATOM 567 CD GLN A 40 1.001 10.406 -8.938 1.00 0.00 C ATOM 568 OE1 GLN A 40 1.408 9.959 -10.010 1.00 0.00 O ATOM 569 NE2 GLN A 40 0.072 11.352 -8.864 1.00 0.00 N ATOM 0 H GLN A 40 4.656 10.107 -6.369 1.00 0.00 H new ATOM 0 HA GLN A 40 3.363 11.603 -8.549 1.00 0.00 H new ATOM 0 HB2 GLN A 40 2.498 10.581 -5.831 1.00 0.00 H new ATOM 0 HB3 GLN A 40 1.571 11.809 -6.671 1.00 0.00 H new ATOM 0 HG2 GLN A 40 2.245 9.076 -7.815 1.00 0.00 H new ATOM 0 HG3 GLN A 40 0.732 9.480 -7.028 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -0.236 11.694 -7.954 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -0.333 11.737 -9.717 1.00 0.00 H new ATOM 578 N GLN A 41 4.311 12.859 -5.635 1.00 0.00 N ATOM 579 CA GLN A 41 4.694 14.096 -4.965 1.00 0.00 C ATOM 580 C GLN A 41 6.133 14.474 -5.301 1.00 0.00 C ATOM 581 O GLN A 41 6.490 15.651 -5.308 1.00 0.00 O ATOM 582 CB GLN A 41 4.533 13.951 -3.450 1.00 0.00 C ATOM 583 CG GLN A 41 3.139 13.519 -3.025 1.00 0.00 C ATOM 584 CD GLN A 41 2.156 14.673 -2.990 1.00 0.00 C ATOM 585 OE1 GLN A 41 1.897 15.195 -1.797 1.00 0.00 O flip ATOM 586 NE2 GLN A 41 1.634 15.090 -4.025 1.00 0.00 N flip ATOM 0 H GLN A 41 4.382 12.024 -5.053 1.00 0.00 H new ATOM 0 HA GLN A 41 4.037 14.890 -5.319 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.257 13.223 -3.084 1.00 0.00 H new ATOM 0 HB3 GLN A 41 4.770 14.903 -2.975 1.00 0.00 H new ATOM 0 HG2 GLN A 41 2.774 12.756 -3.713 1.00 0.00 H new ATOM 0 HG3 GLN A 41 3.190 13.060 -2.038 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.862 14.659 -4.921 1.00 0.00 H new ATOM 0 HE22 GLN A 41 0.974 15.866 -3.986 1.00 0.00 H new ATOM 595 N GLY A 42 6.955 13.467 -5.579 1.00 0.00 N ATOM 596 CA GLY A 42 8.346 13.715 -5.912 1.00 0.00 C ATOM 597 C GLY A 42 9.266 13.546 -4.719 1.00 0.00 C ATOM 598 O GLY A 42 10.483 13.438 -4.875 1.00 0.00 O ATOM 0 H GLY A 42 6.683 12.484 -5.580 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.654 13.033 -6.704 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.448 14.727 -6.305 1.00 0.00 H new ATOM 602 N LEU A 43 8.686 13.524 -3.524 1.00 0.00 N ATOM 603 CA LEU A 43 9.463 13.369 -2.299 1.00 0.00 C ATOM 604 C LEU A 43 10.075 11.974 -2.216 1.00 0.00 C ATOM 605 O LEU A 43 9.433 10.968 -2.518 1.00 0.00 O ATOM 606 CB LEU A 43 8.580 13.624 -1.077 1.00 0.00 C ATOM 607 CG LEU A 43 9.284 14.209 0.149 1.00 0.00 C ATOM 608 CD1 LEU A 43 8.326 15.074 0.953 1.00 0.00 C ATOM 609 CD2 LEU A 43 9.856 13.096 1.016 1.00 0.00 C ATOM 0 H LEU A 43 7.680 13.612 -3.377 1.00 0.00 H new ATOM 0 HA LEU A 43 10.271 14.100 -2.315 1.00 0.00 H new ATOM 0 HB2 LEU A 43 7.778 14.302 -1.368 1.00 0.00 H new ATOM 0 HB3 LEU A 43 8.113 12.682 -0.788 1.00 0.00 H new ATOM 0 HG LEU A 43 10.107 14.836 -0.193 1.00 0.00 H new ATOM 0 HD11 LEU A 43 8.845 15.481 1.821 1.00 0.00 H new ATOM 0 HD12 LEU A 43 7.964 15.892 0.330 1.00 0.00 H new ATOM 0 HD13 LEU A 43 7.482 14.470 1.285 1.00 0.00 H new ATOM 0 HD21 LEU A 43 10.353 13.530 1.884 1.00 0.00 H new ATOM 0 HD22 LEU A 43 9.049 12.443 1.349 1.00 0.00 H new ATOM 0 HD23 LEU A 43 10.576 12.517 0.437 1.00 0.00 H new ATOM 621 N PRO A 44 11.347 11.910 -1.795 1.00 0.00 N ATOM 622 CA PRO A 44 12.073 10.644 -1.659 1.00 0.00 C ATOM 623 C PRO A 44 11.546 9.794 -0.508 1.00 0.00 C ATOM 624 O PRO A 44 11.009 10.317 0.468 1.00 0.00 O ATOM 625 CB PRO A 44 13.512 11.088 -1.381 1.00 0.00 C ATOM 626 CG PRO A 44 13.379 12.442 -0.774 1.00 0.00 C ATOM 627 CD PRO A 44 12.174 13.069 -1.418 1.00 0.00 C ATOM 0 HA PRO A 44 11.969 10.018 -2.545 1.00 0.00 H new ATOM 0 HB2 PRO A 44 14.016 10.398 -0.704 1.00 0.00 H new ATOM 0 HB3 PRO A 44 14.100 11.121 -2.298 1.00 0.00 H new ATOM 0 HG2 PRO A 44 13.253 12.374 0.307 1.00 0.00 H new ATOM 0 HG3 PRO A 44 14.273 13.040 -0.954 1.00 0.00 H new ATOM 0 HD2 PRO A 44 11.649 13.730 -0.729 1.00 0.00 H new ATOM 0 HD3 PRO A 44 12.448 13.667 -2.287 1.00 0.00 H new ATOM 635 N LYS A 45 11.704 8.480 -0.629 1.00 0.00 N ATOM 636 CA LYS A 45 11.246 7.557 0.402 1.00 0.00 C ATOM 637 C LYS A 45 12.111 7.666 1.654 1.00 0.00 C ATOM 638 O LYS A 45 11.707 7.247 2.739 1.00 0.00 O ATOM 639 CB LYS A 45 11.270 6.120 -0.124 1.00 0.00 C ATOM 640 CG LYS A 45 10.695 5.974 -1.522 1.00 0.00 C ATOM 641 CD LYS A 45 10.285 4.540 -1.810 1.00 0.00 C ATOM 642 CE LYS A 45 10.466 4.192 -3.279 1.00 0.00 C ATOM 643 NZ LYS A 45 10.428 2.721 -3.510 1.00 0.00 N ATOM 0 H LYS A 45 12.146 8.031 -1.431 1.00 0.00 H new ATOM 0 HA LYS A 45 10.223 7.824 0.665 1.00 0.00 H new ATOM 0 HB2 LYS A 45 12.299 5.759 -0.124 1.00 0.00 H new ATOM 0 HB3 LYS A 45 10.708 5.483 0.559 1.00 0.00 H new ATOM 0 HG2 LYS A 45 9.831 6.629 -1.631 1.00 0.00 H new ATOM 0 HG3 LYS A 45 11.434 6.296 -2.256 1.00 0.00 H new ATOM 0 HD2 LYS A 45 10.879 3.861 -1.198 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.243 4.395 -1.527 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.682 4.672 -3.865 1.00 0.00 H new ATOM 0 HE3 LYS A 45 11.417 4.590 -3.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 10.333 2.532 -4.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 11.308 2.292 -3.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 9.617 2.311 -3.005 1.00 0.00 H new ATOM 657 N LYS A 46 13.302 8.232 1.496 1.00 0.00 N ATOM 658 CA LYS A 46 14.224 8.400 2.614 1.00 0.00 C ATOM 659 C LYS A 46 13.856 9.626 3.443 1.00 0.00 C ATOM 660 O LYS A 46 14.564 9.984 4.385 1.00 0.00 O ATOM 661 CB LYS A 46 15.660 8.529 2.102 1.00 0.00 C ATOM 662 CG LYS A 46 15.862 9.690 1.143 1.00 0.00 C ATOM 663 CD LYS A 46 17.275 10.242 1.225 1.00 0.00 C ATOM 664 CE LYS A 46 17.316 11.723 0.883 1.00 0.00 C ATOM 665 NZ LYS A 46 17.187 11.958 -0.582 1.00 0.00 N ATOM 0 H LYS A 46 13.652 8.583 0.604 1.00 0.00 H new ATOM 0 HA LYS A 46 14.150 7.518 3.250 1.00 0.00 H new ATOM 0 HB2 LYS A 46 16.331 8.650 2.953 1.00 0.00 H new ATOM 0 HB3 LYS A 46 15.943 7.603 1.602 1.00 0.00 H new ATOM 0 HG2 LYS A 46 15.658 9.361 0.124 1.00 0.00 H new ATOM 0 HG3 LYS A 46 15.148 10.481 1.372 1.00 0.00 H new ATOM 0 HD2 LYS A 46 17.669 10.089 2.230 1.00 0.00 H new ATOM 0 HD3 LYS A 46 17.922 9.692 0.542 1.00 0.00 H new ATOM 0 HE2 LYS A 46 16.511 12.239 1.406 1.00 0.00 H new ATOM 0 HE3 LYS A 46 18.253 12.152 1.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 17.220 12.980 -0.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 17.970 11.487 -1.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 16.282 11.571 -0.917 1.00 0.00 H new ATOM 679 N GLN A 47 12.746 10.264 3.088 1.00 0.00 N ATOM 680 CA GLN A 47 12.285 11.449 3.801 1.00 0.00 C ATOM 681 C GLN A 47 10.843 11.278 4.268 1.00 0.00 C ATOM 682 O GLN A 47 10.493 11.663 5.383 1.00 0.00 O ATOM 683 CB GLN A 47 12.400 12.685 2.907 1.00 0.00 C ATOM 684 CG GLN A 47 13.814 13.236 2.810 1.00 0.00 C ATOM 685 CD GLN A 47 13.954 14.297 1.736 1.00 0.00 C ATOM 686 OE1 GLN A 47 12.987 14.639 1.055 1.00 0.00 O ATOM 687 NE2 GLN A 47 15.162 14.825 1.580 1.00 0.00 N ATOM 0 H GLN A 47 12.149 9.980 2.311 1.00 0.00 H new ATOM 0 HA GLN A 47 12.918 11.583 4.678 1.00 0.00 H new ATOM 0 HB2 GLN A 47 12.047 12.434 1.907 1.00 0.00 H new ATOM 0 HB3 GLN A 47 11.741 13.464 3.291 1.00 0.00 H new ATOM 0 HG2 GLN A 47 14.102 13.658 3.773 1.00 0.00 H new ATOM 0 HG3 GLN A 47 14.505 12.419 2.601 1.00 0.00 H new ATOM 0 HE21 GLN A 47 15.935 14.512 2.167 1.00 0.00 H new ATOM 0 HE22 GLN A 47 15.317 15.544 0.873 1.00 0.00 H new ATOM 696 N GLN A 48 10.013 10.698 3.407 1.00 0.00 N ATOM 697 CA GLN A 48 8.609 10.477 3.732 1.00 0.00 C ATOM 698 C GLN A 48 8.457 9.358 4.757 1.00 0.00 C ATOM 699 O GLN A 48 9.032 8.281 4.603 1.00 0.00 O ATOM 700 CB GLN A 48 7.818 10.138 2.468 1.00 0.00 C ATOM 701 CG GLN A 48 7.781 8.650 2.155 1.00 0.00 C ATOM 702 CD GLN A 48 6.989 8.338 0.900 1.00 0.00 C ATOM 703 OE1 GLN A 48 5.827 7.938 0.969 1.00 0.00 O ATOM 704 NE2 GLN A 48 7.616 8.520 -0.257 1.00 0.00 N ATOM 0 H GLN A 48 10.288 10.373 2.480 1.00 0.00 H new ATOM 0 HA GLN A 48 8.213 11.396 4.164 1.00 0.00 H new ATOM 0 HB2 GLN A 48 6.797 10.503 2.579 1.00 0.00 H new ATOM 0 HB3 GLN A 48 8.256 10.668 1.622 1.00 0.00 H new ATOM 0 HG2 GLN A 48 8.800 8.282 2.038 1.00 0.00 H new ATOM 0 HG3 GLN A 48 7.344 8.116 2.998 1.00 0.00 H new ATOM 0 HE21 GLN A 48 8.580 8.853 -0.268 1.00 0.00 H new ATOM 0 HE22 GLN A 48 7.133 8.327 -1.135 1.00 0.00 H new ATOM 713 N GLN A 49 7.679 9.621 5.802 1.00 0.00 N ATOM 714 CA GLN A 49 7.453 8.635 6.853 1.00 0.00 C ATOM 715 C GLN A 49 5.981 8.590 7.250 1.00 0.00 C ATOM 716 O GLN A 49 5.456 9.537 7.836 1.00 0.00 O ATOM 717 CB GLN A 49 8.314 8.956 8.076 1.00 0.00 C ATOM 718 CG GLN A 49 8.138 7.969 9.219 1.00 0.00 C ATOM 719 CD GLN A 49 8.558 8.545 10.557 1.00 0.00 C ATOM 720 OE1 GLN A 49 9.671 9.051 10.706 1.00 0.00 O ATOM 721 NE2 GLN A 49 7.668 8.471 11.539 1.00 0.00 N ATOM 0 H GLN A 49 7.195 10.508 5.944 1.00 0.00 H new ATOM 0 HA GLN A 49 7.736 7.656 6.465 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.362 8.971 7.778 1.00 0.00 H new ATOM 0 HB3 GLN A 49 8.069 9.957 8.430 1.00 0.00 H new ATOM 0 HG2 GLN A 49 7.093 7.662 9.272 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.723 7.073 9.014 1.00 0.00 H new ATOM 0 HE21 GLN A 49 6.757 8.043 11.371 1.00 0.00 H new ATOM 0 HE22 GLN A 49 7.895 8.842 12.462 1.00 0.00 H new ATOM 730 N LEU A 50 5.320 7.484 6.926 1.00 0.00 N ATOM 731 CA LEU A 50 3.907 7.315 7.249 1.00 0.00 C ATOM 732 C LEU A 50 3.736 6.620 8.596 1.00 0.00 C ATOM 733 O LEU A 50 4.538 5.766 8.971 1.00 0.00 O ATOM 734 CB LEU A 50 3.207 6.509 6.153 1.00 0.00 C ATOM 735 CG LEU A 50 3.133 7.170 4.777 1.00 0.00 C ATOM 736 CD1 LEU A 50 2.642 6.178 3.734 1.00 0.00 C ATOM 737 CD2 LEU A 50 2.227 8.393 4.820 1.00 0.00 C ATOM 0 H LEU A 50 5.739 6.691 6.440 1.00 0.00 H new ATOM 0 HA LEU A 50 3.452 8.304 7.311 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.721 5.554 6.048 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.192 6.290 6.484 1.00 0.00 H new ATOM 0 HG LEU A 50 4.135 7.495 4.497 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.596 6.666 2.761 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.329 5.333 3.684 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.649 5.822 4.009 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.186 8.851 3.832 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.224 8.092 5.122 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.621 9.113 5.537 1.00 0.00 H new ATOM 749 N GLU A 51 2.683 6.992 9.317 1.00 0.00 N ATOM 750 CA GLU A 51 2.406 6.403 10.622 1.00 0.00 C ATOM 751 C GLU A 51 0.920 6.090 10.773 1.00 0.00 C ATOM 752 O GLU A 51 0.088 6.590 10.015 1.00 0.00 O ATOM 753 CB GLU A 51 2.856 7.347 11.739 1.00 0.00 C ATOM 754 CG GLU A 51 4.357 7.341 11.973 1.00 0.00 C ATOM 755 CD GLU A 51 4.843 8.594 12.674 1.00 0.00 C ATOM 756 OE1 GLU A 51 4.649 9.697 12.122 1.00 0.00 O ATOM 757 OE2 GLU A 51 5.418 8.471 13.776 1.00 0.00 O ATOM 0 H GLU A 51 2.009 7.697 9.020 1.00 0.00 H new ATOM 0 HA GLU A 51 2.966 5.471 10.697 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.539 8.361 11.496 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.351 7.068 12.664 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.624 6.469 12.569 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.870 7.242 11.016 1.00 0.00 H new ATOM 764 N PHE A 52 0.593 5.259 11.758 1.00 0.00 N ATOM 765 CA PHE A 52 -0.792 4.878 12.008 1.00 0.00 C ATOM 766 C PHE A 52 -1.036 4.663 13.499 1.00 0.00 C ATOM 767 O PHE A 52 -0.207 4.077 14.195 1.00 0.00 O ATOM 768 CB PHE A 52 -1.141 3.605 11.235 1.00 0.00 C ATOM 769 CG PHE A 52 -2.615 3.323 11.177 1.00 0.00 C ATOM 770 CD1 PHE A 52 -3.508 4.313 10.799 1.00 0.00 C ATOM 771 CD2 PHE A 52 -3.108 2.069 11.499 1.00 0.00 C ATOM 772 CE1 PHE A 52 -4.865 4.057 10.746 1.00 0.00 C ATOM 773 CE2 PHE A 52 -4.464 1.807 11.448 1.00 0.00 C ATOM 774 CZ PHE A 52 -5.344 2.802 11.069 1.00 0.00 C ATOM 0 H PHE A 52 1.268 4.837 12.395 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.433 5.690 11.665 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.755 3.689 10.219 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.635 2.758 11.699 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.139 5.295 10.543 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.424 1.287 11.793 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.551 4.838 10.452 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.835 0.826 11.704 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.404 2.599 11.025 1.00 0.00 H new ATOM 784 N GLN A 53 -2.177 5.143 13.981 1.00 0.00 N ATOM 785 CA GLN A 53 -2.530 5.006 15.389 1.00 0.00 C ATOM 786 C GLN A 53 -1.294 5.130 16.274 1.00 0.00 C ATOM 787 O GLN A 53 -1.210 4.508 17.332 1.00 0.00 O ATOM 788 CB GLN A 53 -3.215 3.660 15.636 1.00 0.00 C ATOM 789 CG GLN A 53 -4.650 3.609 15.139 1.00 0.00 C ATOM 790 CD GLN A 53 -5.119 2.195 14.853 1.00 0.00 C ATOM 791 OE1 GLN A 53 -5.704 1.923 13.805 1.00 0.00 O ATOM 792 NE2 GLN A 53 -4.862 1.287 15.787 1.00 0.00 N ATOM 0 H GLN A 53 -2.873 5.631 13.417 1.00 0.00 H new ATOM 0 HA GLN A 53 -3.220 5.810 15.645 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -2.641 2.874 15.145 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.201 3.445 16.705 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -5.305 4.061 15.884 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -4.738 4.207 14.232 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -4.374 1.558 16.641 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -5.152 0.319 15.651 1.00 0.00 H new ATOM 801 N GLY A 54 -0.335 5.938 15.833 1.00 0.00 N ATOM 802 CA GLY A 54 0.884 6.129 16.597 1.00 0.00 C ATOM 803 C GLY A 54 1.856 4.977 16.435 1.00 0.00 C ATOM 804 O GLY A 54 2.469 4.534 17.406 1.00 0.00 O ATOM 0 H GLY A 54 -0.380 6.464 14.960 1.00 0.00 H new ATOM 0 HA2 GLY A 54 1.366 7.054 16.281 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.634 6.244 17.652 1.00 0.00 H new ATOM 808 N GLN A 55 1.995 4.490 15.207 1.00 0.00 N ATOM 809 CA GLN A 55 2.897 3.380 14.923 1.00 0.00 C ATOM 810 C GLN A 55 3.618 3.591 13.595 1.00 0.00 C ATOM 811 O GLN A 55 2.992 3.885 12.577 1.00 0.00 O ATOM 812 CB GLN A 55 2.124 2.061 14.893 1.00 0.00 C ATOM 813 CG GLN A 55 1.589 1.700 13.516 1.00 0.00 C ATOM 814 CD GLN A 55 0.791 0.411 13.519 1.00 0.00 C ATOM 815 OE1 GLN A 55 0.892 -0.393 14.446 1.00 0.00 O ATOM 816 NE2 GLN A 55 -0.009 0.207 12.479 1.00 0.00 N ATOM 0 H GLN A 55 1.495 4.846 14.393 1.00 0.00 H new ATOM 0 HA GLN A 55 3.642 3.338 15.718 1.00 0.00 H new ATOM 0 HB2 GLN A 55 2.775 1.260 15.242 1.00 0.00 H new ATOM 0 HB3 GLN A 55 1.291 2.122 15.593 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.960 2.512 13.151 1.00 0.00 H new ATOM 0 HG3 GLN A 55 2.423 1.605 12.820 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -0.062 0.900 11.733 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -0.571 -0.643 12.427 1.00 0.00 H new ATOM 825 N VAL A 56 4.939 3.438 13.614 1.00 0.00 N ATOM 826 CA VAL A 56 5.745 3.611 12.412 1.00 0.00 C ATOM 827 C VAL A 56 5.549 2.447 11.446 1.00 0.00 C ATOM 828 O VAL A 56 5.770 1.288 11.801 1.00 0.00 O ATOM 829 CB VAL A 56 7.242 3.734 12.753 1.00 0.00 C ATOM 830 CG1 VAL A 56 8.074 3.818 11.482 1.00 0.00 C ATOM 831 CG2 VAL A 56 7.488 4.943 13.642 1.00 0.00 C ATOM 0 H VAL A 56 5.473 3.195 14.448 1.00 0.00 H new ATOM 0 HA VAL A 56 5.411 4.534 11.937 1.00 0.00 H new ATOM 0 HB VAL A 56 7.547 2.842 13.300 1.00 0.00 H new ATOM 0 HG11 VAL A 56 9.129 3.904 11.743 1.00 0.00 H new ATOM 0 HG12 VAL A 56 7.920 2.918 10.886 1.00 0.00 H new ATOM 0 HG13 VAL A 56 7.770 4.692 10.905 1.00 0.00 H new ATOM 0 HG21 VAL A 56 8.551 5.014 13.873 1.00 0.00 H new ATOM 0 HG22 VAL A 56 7.168 5.847 13.124 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.922 4.835 14.567 1.00 0.00 H new ATOM 841 N LEU A 57 5.133 2.763 10.225 1.00 0.00 N ATOM 842 CA LEU A 57 4.908 1.743 9.206 1.00 0.00 C ATOM 843 C LEU A 57 6.204 1.407 8.475 1.00 0.00 C ATOM 844 O LEU A 57 6.890 2.295 7.971 1.00 0.00 O ATOM 845 CB LEU A 57 3.853 2.219 8.205 1.00 0.00 C ATOM 846 CG LEU A 57 2.539 2.721 8.804 1.00 0.00 C ATOM 847 CD1 LEU A 57 1.659 3.331 7.723 1.00 0.00 C ATOM 848 CD2 LEU A 57 1.808 1.591 9.513 1.00 0.00 C ATOM 0 H LEU A 57 4.945 3.717 9.916 1.00 0.00 H new ATOM 0 HA LEU A 57 4.549 0.841 9.703 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.285 3.020 7.605 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.629 1.397 7.525 1.00 0.00 H new ATOM 0 HG LEU A 57 2.769 3.494 9.537 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.728 3.683 8.167 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.180 4.169 7.260 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.438 2.578 6.966 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.875 1.968 9.933 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.590 0.795 8.801 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.434 1.199 10.314 1.00 0.00 H new ATOM 860 N GLN A 58 6.529 0.120 8.421 1.00 0.00 N ATOM 861 CA GLN A 58 7.742 -0.333 7.750 1.00 0.00 C ATOM 862 C GLN A 58 7.552 -0.354 6.237 1.00 0.00 C ATOM 863 O GLN A 58 6.511 0.060 5.727 1.00 0.00 O ATOM 864 CB GLN A 58 8.135 -1.726 8.246 1.00 0.00 C ATOM 865 CG GLN A 58 8.467 -1.773 9.728 1.00 0.00 C ATOM 866 CD GLN A 58 9.298 -0.588 10.179 1.00 0.00 C ATOM 867 OE1 GLN A 58 8.964 0.085 11.155 1.00 0.00 O ATOM 868 NE2 GLN A 58 10.388 -0.325 9.468 1.00 0.00 N ATOM 0 H GLN A 58 5.970 -0.627 8.833 1.00 0.00 H new ATOM 0 HA GLN A 58 8.542 0.369 7.988 1.00 0.00 H new ATOM 0 HB2 GLN A 58 7.318 -2.419 8.043 1.00 0.00 H new ATOM 0 HB3 GLN A 58 8.997 -2.075 7.678 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.541 -1.802 10.303 1.00 0.00 H new ATOM 0 HG3 GLN A 58 9.007 -2.694 9.946 1.00 0.00 H new ATOM 0 HE21 GLN A 58 10.627 -0.909 8.667 1.00 0.00 H new ATOM 0 HE22 GLN A 58 10.986 0.461 9.723 1.00 0.00 H new ATOM 877 N ASP A 59 8.564 -0.837 5.525 1.00 0.00 N ATOM 878 CA ASP A 59 8.508 -0.912 4.070 1.00 0.00 C ATOM 879 C ASP A 59 8.335 -2.355 3.607 1.00 0.00 C ATOM 880 O ASP A 59 7.629 -2.625 2.635 1.00 0.00 O ATOM 881 CB ASP A 59 9.777 -0.315 3.458 1.00 0.00 C ATOM 882 CG ASP A 59 11.002 -1.170 3.717 1.00 0.00 C ATOM 883 OD1 ASP A 59 11.482 -1.185 4.870 1.00 0.00 O ATOM 884 OD2 ASP A 59 11.480 -1.825 2.767 1.00 0.00 O ATOM 0 H ASP A 59 9.433 -1.183 5.932 1.00 0.00 H new ATOM 0 HA ASP A 59 7.646 -0.336 3.734 1.00 0.00 H new ATOM 0 HB2 ASP A 59 9.639 -0.199 2.383 1.00 0.00 H new ATOM 0 HB3 ASP A 59 9.940 0.682 3.867 1.00 0.00 H new ATOM 889 N TRP A 60 8.984 -3.278 4.307 1.00 0.00 N ATOM 890 CA TRP A 60 8.903 -4.693 3.967 1.00 0.00 C ATOM 891 C TRP A 60 7.605 -5.304 4.484 1.00 0.00 C ATOM 892 O TRP A 60 7.097 -6.275 3.922 1.00 0.00 O ATOM 893 CB TRP A 60 10.102 -5.448 4.544 1.00 0.00 C ATOM 894 CG TRP A 60 9.926 -5.829 5.983 1.00 0.00 C ATOM 895 CD1 TRP A 60 9.331 -6.960 6.464 1.00 0.00 C ATOM 896 CD2 TRP A 60 10.349 -5.078 7.126 1.00 0.00 C ATOM 897 NE1 TRP A 60 9.358 -6.957 7.838 1.00 0.00 N ATOM 898 CE2 TRP A 60 9.978 -5.814 8.269 1.00 0.00 C ATOM 899 CE3 TRP A 60 11.006 -3.856 7.296 1.00 0.00 C ATOM 900 CZ2 TRP A 60 10.241 -5.366 9.560 1.00 0.00 C ATOM 901 CZ3 TRP A 60 11.267 -3.413 8.579 1.00 0.00 C ATOM 902 CH2 TRP A 60 10.886 -4.167 9.697 1.00 0.00 C ATOM 0 H TRP A 60 9.573 -3.071 5.114 1.00 0.00 H new ATOM 0 HA TRP A 60 8.917 -4.781 2.881 1.00 0.00 H new ATOM 0 HB2 TRP A 60 10.273 -6.349 3.955 1.00 0.00 H new ATOM 0 HB3 TRP A 60 10.994 -4.829 4.446 1.00 0.00 H new ATOM 0 HD1 TRP A 60 8.902 -7.742 5.854 1.00 0.00 H new ATOM 0 HE1 TRP A 60 8.978 -7.688 8.440 1.00 0.00 H new ATOM 0 HE3 TRP A 60 11.304 -3.269 6.440 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 9.946 -5.944 10.423 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 11.773 -2.470 8.722 1.00 0.00 H new ATOM 0 HH2 TRP A 60 11.106 -3.794 10.687 1.00 0.00 H new ATOM 913 N LEU A 61 7.073 -4.730 5.557 1.00 0.00 N ATOM 914 CA LEU A 61 5.833 -5.218 6.150 1.00 0.00 C ATOM 915 C LEU A 61 4.644 -4.933 5.238 1.00 0.00 C ATOM 916 O LEU A 61 4.654 -3.972 4.470 1.00 0.00 O ATOM 917 CB LEU A 61 5.608 -4.569 7.517 1.00 0.00 C ATOM 918 CG LEU A 61 6.643 -4.897 8.594 1.00 0.00 C ATOM 919 CD1 LEU A 61 6.266 -4.241 9.913 1.00 0.00 C ATOM 920 CD2 LEU A 61 6.777 -6.403 8.764 1.00 0.00 C ATOM 0 H LEU A 61 7.481 -3.926 6.034 1.00 0.00 H new ATOM 0 HA LEU A 61 5.920 -6.297 6.277 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.582 -3.488 7.384 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.626 -4.869 7.882 1.00 0.00 H new ATOM 0 HG LEU A 61 7.608 -4.500 8.277 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.014 -4.485 10.668 1.00 0.00 H new ATOM 0 HD12 LEU A 61 6.222 -3.160 9.782 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.291 -4.607 10.236 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.518 -6.618 9.534 1.00 0.00 H new ATOM 0 HD22 LEU A 61 5.815 -6.823 9.058 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.094 -6.849 7.821 1.00 0.00 H new ATOM 932 N GLY A 62 3.619 -5.775 5.329 1.00 0.00 N ATOM 933 CA GLY A 62 2.436 -5.596 4.508 1.00 0.00 C ATOM 934 C GLY A 62 1.323 -4.876 5.244 1.00 0.00 C ATOM 935 O GLY A 62 1.427 -4.620 6.445 1.00 0.00 O ATOM 0 H GLY A 62 3.587 -6.578 5.957 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.700 -5.032 3.614 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.077 -6.570 4.176 1.00 0.00 H new ATOM 939 N LEU A 63 0.256 -4.547 4.524 1.00 0.00 N ATOM 940 CA LEU A 63 -0.881 -3.851 5.116 1.00 0.00 C ATOM 941 C LEU A 63 -1.680 -4.783 6.022 1.00 0.00 C ATOM 942 O LEU A 63 -1.881 -4.497 7.201 1.00 0.00 O ATOM 943 CB LEU A 63 -1.786 -3.288 4.019 1.00 0.00 C ATOM 944 CG LEU A 63 -1.268 -2.046 3.292 1.00 0.00 C ATOM 945 CD1 LEU A 63 -0.092 -2.404 2.397 1.00 0.00 C ATOM 946 CD2 LEU A 63 -2.381 -1.399 2.481 1.00 0.00 C ATOM 0 H LEU A 63 0.155 -4.751 3.530 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.497 -3.029 5.720 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.958 -4.071 3.281 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.753 -3.049 4.461 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.926 -1.328 4.037 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.264 -1.508 1.888 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.713 -2.821 3.003 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.408 -3.140 1.658 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.994 -0.517 1.971 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.755 -2.110 1.744 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.193 -1.106 3.147 1.00 0.00 H new ATOM 958 N GLY A 64 -2.131 -5.901 5.461 1.00 0.00 N ATOM 959 CA GLY A 64 -2.900 -6.860 6.233 1.00 0.00 C ATOM 960 C GLY A 64 -2.237 -7.210 7.550 1.00 0.00 C ATOM 961 O GLY A 64 -2.892 -7.693 8.473 1.00 0.00 O ATOM 0 H GLY A 64 -1.978 -6.160 4.486 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.893 -6.453 6.426 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.036 -7.768 5.646 1.00 0.00 H new ATOM 965 N ILE A 65 -0.933 -6.969 7.636 1.00 0.00 N ATOM 966 CA ILE A 65 -0.181 -7.263 8.849 1.00 0.00 C ATOM 967 C ILE A 65 -0.547 -6.297 9.971 1.00 0.00 C ATOM 968 O ILE A 65 -0.890 -6.715 11.077 1.00 0.00 O ATOM 969 CB ILE A 65 1.338 -7.192 8.602 1.00 0.00 C ATOM 970 CG1 ILE A 65 1.805 -8.417 7.813 1.00 0.00 C ATOM 971 CG2 ILE A 65 2.085 -7.089 9.922 1.00 0.00 C ATOM 972 CD1 ILE A 65 1.597 -8.289 6.320 1.00 0.00 C ATOM 0 H ILE A 65 -0.376 -6.571 6.880 1.00 0.00 H new ATOM 0 HA ILE A 65 -0.446 -8.278 9.145 1.00 0.00 H new ATOM 0 HB ILE A 65 1.555 -6.300 8.014 1.00 0.00 H new ATOM 0 HG12 ILE A 65 2.864 -8.585 8.011 1.00 0.00 H new ATOM 0 HG13 ILE A 65 1.270 -9.296 8.172 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.157 -7.040 9.731 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.769 -6.189 10.450 1.00 0.00 H new ATOM 0 HG23 ILE A 65 1.866 -7.964 10.534 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.951 -9.193 5.825 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.536 -8.152 6.111 1.00 0.00 H new ATOM 0 HD13 ILE A 65 2.154 -7.430 5.947 1.00 0.00 H new ATOM 984 N TYR A 66 -0.474 -5.003 9.677 1.00 0.00 N ATOM 985 CA TYR A 66 -0.798 -3.977 10.661 1.00 0.00 C ATOM 986 C TYR A 66 -2.295 -3.953 10.951 1.00 0.00 C ATOM 987 O TYR A 66 -2.715 -3.849 12.103 1.00 0.00 O ATOM 988 CB TYR A 66 -0.341 -2.604 10.165 1.00 0.00 C ATOM 989 CG TYR A 66 1.084 -2.267 10.542 1.00 0.00 C ATOM 990 CD1 TYR A 66 1.471 -2.188 11.874 1.00 0.00 C ATOM 991 CD2 TYR A 66 2.044 -2.030 9.566 1.00 0.00 C ATOM 992 CE1 TYR A 66 2.772 -1.880 12.223 1.00 0.00 C ATOM 993 CE2 TYR A 66 3.347 -1.722 9.905 1.00 0.00 C ATOM 994 CZ TYR A 66 3.706 -1.648 11.235 1.00 0.00 C ATOM 995 OH TYR A 66 5.003 -1.343 11.578 1.00 0.00 O ATOM 0 H TYR A 66 -0.194 -4.640 8.766 1.00 0.00 H new ATOM 0 HA TYR A 66 -0.272 -4.216 11.585 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -0.439 -2.568 9.080 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -1.005 -1.841 10.571 1.00 0.00 H new ATOM 0 HD1 TYR A 66 0.742 -2.370 12.650 1.00 0.00 H new ATOM 0 HD2 TYR A 66 1.766 -2.088 8.524 1.00 0.00 H new ATOM 0 HE1 TYR A 66 3.056 -1.821 13.263 1.00 0.00 H new ATOM 0 HE2 TYR A 66 4.081 -1.540 9.133 1.00 0.00 H new ATOM 0 HH TYR A 66 5.108 -0.370 11.629 1.00 0.00 H new ATOM 1005 N GLY A 67 -3.098 -4.051 9.896 1.00 0.00 N ATOM 1006 CA GLY A 67 -4.540 -4.039 10.056 1.00 0.00 C ATOM 1007 C GLY A 67 -5.180 -2.799 9.464 1.00 0.00 C ATOM 1008 O GLY A 67 -6.301 -2.439 9.824 1.00 0.00 O ATOM 0 H GLY A 67 -2.775 -4.139 8.932 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.962 -4.924 9.580 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.785 -4.099 11.116 1.00 0.00 H new ATOM 1012 N ILE A 68 -4.465 -2.144 8.554 1.00 0.00 N ATOM 1013 CA ILE A 68 -4.970 -0.937 7.912 1.00 0.00 C ATOM 1014 C ILE A 68 -6.283 -1.210 7.185 1.00 0.00 C ATOM 1015 O ILE A 68 -6.365 -2.108 6.348 1.00 0.00 O ATOM 1016 CB ILE A 68 -3.951 -0.365 6.909 1.00 0.00 C ATOM 1017 CG1 ILE A 68 -2.657 0.022 7.629 1.00 0.00 C ATOM 1018 CG2 ILE A 68 -4.539 0.836 6.183 1.00 0.00 C ATOM 1019 CD1 ILE A 68 -1.480 0.209 6.698 1.00 0.00 C ATOM 0 H ILE A 68 -3.535 -2.429 8.246 1.00 0.00 H new ATOM 0 HA ILE A 68 -5.140 -0.206 8.702 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.719 -1.133 6.171 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -2.822 0.946 8.183 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.413 -0.749 8.360 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -3.807 1.229 5.478 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -5.436 0.532 5.643 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.796 1.609 6.907 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.598 0.482 7.277 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.289 -0.721 6.162 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -1.704 1.001 5.983 1.00 0.00 H new ATOM 1031 N GLN A 69 -7.307 -0.426 7.510 1.00 0.00 N ATOM 1032 CA GLN A 69 -8.616 -0.583 6.887 1.00 0.00 C ATOM 1033 C GLN A 69 -8.817 0.446 5.779 1.00 0.00 C ATOM 1034 O GLN A 69 -8.268 1.546 5.833 1.00 0.00 O ATOM 1035 CB GLN A 69 -9.722 -0.445 7.934 1.00 0.00 C ATOM 1036 CG GLN A 69 -9.745 0.911 8.621 1.00 0.00 C ATOM 1037 CD GLN A 69 -10.393 0.861 9.990 1.00 0.00 C ATOM 1038 OE1 GLN A 69 -11.615 0.769 10.108 1.00 0.00 O ATOM 1039 NE2 GLN A 69 -9.575 0.922 11.035 1.00 0.00 N ATOM 0 H GLN A 69 -7.255 0.323 8.200 1.00 0.00 H new ATOM 0 HA GLN A 69 -8.665 -1.579 6.447 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -10.686 -0.617 7.456 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -9.596 -1.222 8.688 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -8.725 1.281 8.720 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -10.283 1.622 7.994 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -8.568 0.998 10.891 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -9.954 0.893 11.982 1.00 0.00 H new ATOM 1048 N ASP A 70 -9.608 0.080 4.776 1.00 0.00 N ATOM 1049 CA ASP A 70 -9.883 0.971 3.655 1.00 0.00 C ATOM 1050 C ASP A 70 -10.400 2.319 4.147 1.00 0.00 C ATOM 1051 O ASP A 70 -11.039 2.405 5.195 1.00 0.00 O ATOM 1052 CB ASP A 70 -10.901 0.335 2.708 1.00 0.00 C ATOM 1053 CG ASP A 70 -11.688 1.368 1.926 1.00 0.00 C ATOM 1054 OD1 ASP A 70 -12.692 1.880 2.463 1.00 0.00 O ATOM 1055 OD2 ASP A 70 -11.301 1.663 0.776 1.00 0.00 O ATOM 0 H ASP A 70 -10.070 -0.827 4.717 1.00 0.00 H new ATOM 0 HA ASP A 70 -8.950 1.135 3.116 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -10.383 -0.326 2.013 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -11.590 -0.284 3.282 1.00 0.00 H new ATOM 1060 N SER A 71 -10.118 3.370 3.383 1.00 0.00 N ATOM 1061 CA SER A 71 -10.551 4.715 3.743 1.00 0.00 C ATOM 1062 C SER A 71 -9.875 5.176 5.032 1.00 0.00 C ATOM 1063 O SER A 71 -10.482 5.865 5.852 1.00 0.00 O ATOM 1064 CB SER A 71 -12.071 4.758 3.908 1.00 0.00 C ATOM 1065 OG SER A 71 -12.570 6.067 3.697 1.00 0.00 O ATOM 0 H SER A 71 -9.592 3.316 2.511 1.00 0.00 H new ATOM 0 HA SER A 71 -10.261 5.391 2.938 1.00 0.00 H new ATOM 0 HB2 SER A 71 -12.536 4.070 3.202 1.00 0.00 H new ATOM 0 HB3 SER A 71 -12.341 4.419 4.908 1.00 0.00 H new ATOM 0 HG SER A 71 -13.544 6.067 3.807 1.00 0.00 H new ATOM 1071 N ASP A 72 -8.616 4.790 5.202 1.00 0.00 N ATOM 1072 CA ASP A 72 -7.856 5.164 6.390 1.00 0.00 C ATOM 1073 C ASP A 72 -7.110 6.476 6.167 1.00 0.00 C ATOM 1074 O ASP A 72 -6.906 6.902 5.029 1.00 0.00 O ATOM 1075 CB ASP A 72 -6.867 4.056 6.758 1.00 0.00 C ATOM 1076 CG ASP A 72 -6.030 3.611 5.574 1.00 0.00 C ATOM 1077 OD1 ASP A 72 -6.584 2.948 4.673 1.00 0.00 O ATOM 1078 OD2 ASP A 72 -4.821 3.925 5.550 1.00 0.00 O ATOM 0 H ASP A 72 -8.100 4.219 4.533 1.00 0.00 H new ATOM 0 HA ASP A 72 -8.558 5.302 7.212 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -6.209 4.409 7.552 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -7.415 3.201 7.154 1.00 0.00 H new ATOM 1083 N THR A 73 -6.705 7.114 7.261 1.00 0.00 N ATOM 1084 CA THR A 73 -5.984 8.378 7.186 1.00 0.00 C ATOM 1085 C THR A 73 -4.517 8.197 7.556 1.00 0.00 C ATOM 1086 O THR A 73 -4.181 7.994 8.724 1.00 0.00 O ATOM 1087 CB THR A 73 -6.610 9.437 8.113 1.00 0.00 C ATOM 1088 OG1 THR A 73 -7.964 9.691 7.724 1.00 0.00 O ATOM 1089 CG2 THR A 73 -5.813 10.733 8.069 1.00 0.00 C ATOM 0 H THR A 73 -6.864 6.775 8.210 1.00 0.00 H new ATOM 0 HA THR A 73 -6.055 8.722 6.154 1.00 0.00 H new ATOM 0 HB THR A 73 -6.592 9.051 9.132 1.00 0.00 H new ATOM 0 HG1 THR A 73 -8.355 10.364 8.320 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.274 11.466 8.731 1.00 0.00 H new ATOM 0 HG22 THR A 73 -4.790 10.542 8.394 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.804 11.120 7.050 1.00 0.00 H new ATOM 1097 N LEU A 74 -3.645 8.272 6.557 1.00 0.00 N ATOM 1098 CA LEU A 74 -2.212 8.117 6.778 1.00 0.00 C ATOM 1099 C LEU A 74 -1.528 9.476 6.888 1.00 0.00 C ATOM 1100 O LEU A 74 -1.652 10.318 5.997 1.00 0.00 O ATOM 1101 CB LEU A 74 -1.585 7.308 5.641 1.00 0.00 C ATOM 1102 CG LEU A 74 -2.250 5.969 5.325 1.00 0.00 C ATOM 1103 CD1 LEU A 74 -1.742 5.420 4.000 1.00 0.00 C ATOM 1104 CD2 LEU A 74 -2.003 4.972 6.447 1.00 0.00 C ATOM 0 H LEU A 74 -3.906 8.439 5.585 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.070 7.582 7.717 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.596 7.919 4.738 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -0.540 7.123 5.887 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.325 6.130 5.240 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.227 4.466 3.792 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.972 6.126 3.202 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.663 5.274 4.056 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.484 4.025 6.204 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.931 4.815 6.565 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.417 5.361 7.377 1.00 0.00 H new ATOM 1116 N ILE A 75 -0.805 9.682 7.984 1.00 0.00 N ATOM 1117 CA ILE A 75 -0.099 10.938 8.207 1.00 0.00 C ATOM 1118 C ILE A 75 1.257 10.937 7.510 1.00 0.00 C ATOM 1119 O ILE A 75 1.950 9.919 7.475 1.00 0.00 O ATOM 1120 CB ILE A 75 0.109 11.207 9.710 1.00 0.00 C ATOM 1121 CG1 ILE A 75 -1.199 10.989 10.474 1.00 0.00 C ATOM 1122 CG2 ILE A 75 0.628 12.620 9.928 1.00 0.00 C ATOM 1123 CD1 ILE A 75 -2.227 12.072 10.233 1.00 0.00 C ATOM 0 H ILE A 75 -0.693 8.996 8.731 1.00 0.00 H new ATOM 0 HA ILE A 75 -0.720 11.729 7.787 1.00 0.00 H new ATOM 0 HB ILE A 75 0.852 10.506 10.091 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -1.622 10.027 10.186 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.983 10.936 11.541 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.770 12.795 10.994 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.580 12.742 9.410 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.093 13.337 9.535 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -3.128 11.852 10.806 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -1.823 13.034 10.548 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.472 12.111 9.172 1.00 0.00 H new ATOM 1135 N LEU A 76 1.632 12.085 6.957 1.00 0.00 N ATOM 1136 CA LEU A 76 2.908 12.219 6.262 1.00 0.00 C ATOM 1137 C LEU A 76 3.765 13.307 6.901 1.00 0.00 C ATOM 1138 O LEU A 76 3.317 14.441 7.076 1.00 0.00 O ATOM 1139 CB LEU A 76 2.674 12.539 4.784 1.00 0.00 C ATOM 1140 CG LEU A 76 3.918 12.900 3.971 1.00 0.00 C ATOM 1141 CD1 LEU A 76 4.796 11.675 3.767 1.00 0.00 C ATOM 1142 CD2 LEU A 76 3.523 13.504 2.632 1.00 0.00 C ATOM 0 H LEU A 76 1.071 12.937 6.976 1.00 0.00 H new ATOM 0 HA LEU A 76 3.439 11.271 6.343 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.197 11.677 4.317 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.969 13.368 4.719 1.00 0.00 H new ATOM 0 HG LEU A 76 4.490 13.643 4.528 1.00 0.00 H new ATOM 0 HD11 LEU A 76 5.676 11.951 3.187 1.00 0.00 H new ATOM 0 HD12 LEU A 76 5.108 11.285 4.736 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.234 10.910 3.232 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.421 13.755 2.067 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.929 12.784 2.069 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.936 14.407 2.799 1.00 0.00 H new ATOM 1154 N SER A 77 5.000 12.955 7.245 1.00 0.00 N ATOM 1155 CA SER A 77 5.919 13.901 7.865 1.00 0.00 C ATOM 1156 C SER A 77 7.336 13.713 7.331 1.00 0.00 C ATOM 1157 O SER A 77 7.885 12.612 7.370 1.00 0.00 O ATOM 1158 CB SER A 77 5.909 13.732 9.386 1.00 0.00 C ATOM 1159 OG SER A 77 4.687 14.187 9.942 1.00 0.00 O ATOM 0 H SER A 77 5.387 12.022 7.105 1.00 0.00 H new ATOM 0 HA SER A 77 5.586 14.909 7.616 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.059 12.683 9.639 1.00 0.00 H new ATOM 0 HB3 SER A 77 6.740 14.287 9.822 1.00 0.00 H new ATOM 0 HG SER A 77 4.705 14.067 10.914 1.00 0.00 H new ATOM 1165 N LYS A 78 7.922 14.795 6.831 1.00 0.00 N ATOM 1166 CA LYS A 78 9.275 14.752 6.289 1.00 0.00 C ATOM 1167 C LYS A 78 10.300 14.552 7.400 1.00 0.00 C ATOM 1168 O LYS A 78 10.119 15.031 8.520 1.00 0.00 O ATOM 1169 CB LYS A 78 9.581 16.042 5.524 1.00 0.00 C ATOM 1170 CG LYS A 78 10.586 15.859 4.401 1.00 0.00 C ATOM 1171 CD LYS A 78 11.332 17.149 4.104 1.00 0.00 C ATOM 1172 CE LYS A 78 11.874 17.165 2.683 1.00 0.00 C ATOM 1173 NZ LYS A 78 13.064 18.051 2.553 1.00 0.00 N ATOM 0 H LYS A 78 7.481 15.714 6.790 1.00 0.00 H new ATOM 0 HA LYS A 78 9.339 13.907 5.604 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.654 16.437 5.109 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.961 16.787 6.223 1.00 0.00 H new ATOM 0 HG2 LYS A 78 11.298 15.080 4.673 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.071 15.520 3.502 1.00 0.00 H new ATOM 0 HD2 LYS A 78 10.664 17.998 4.249 1.00 0.00 H new ATOM 0 HD3 LYS A 78 12.155 17.266 4.810 1.00 0.00 H new ATOM 0 HE2 LYS A 78 12.142 16.151 2.385 1.00 0.00 H new ATOM 0 HE3 LYS A 78 11.094 17.502 2.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 13.403 18.035 1.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 12.803 19.024 2.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 13.818 17.714 3.185 1.00 0.00 H new ATOM 1187 N LYS A 79 11.378 13.842 7.084 1.00 0.00 N ATOM 1188 CA LYS A 79 12.434 13.580 8.054 1.00 0.00 C ATOM 1189 C LYS A 79 13.222 14.851 8.356 1.00 0.00 C ATOM 1190 O LYS A 79 13.395 15.708 7.490 1.00 0.00 O ATOM 1191 CB LYS A 79 13.378 12.495 7.531 1.00 0.00 C ATOM 1192 CG LYS A 79 12.724 11.129 7.406 1.00 0.00 C ATOM 1193 CD LYS A 79 12.872 10.321 8.684 1.00 0.00 C ATOM 1194 CE LYS A 79 12.383 8.893 8.500 1.00 0.00 C ATOM 1195 NZ LYS A 79 13.112 7.939 9.380 1.00 0.00 N ATOM 0 H LYS A 79 11.543 13.437 6.162 1.00 0.00 H new ATOM 0 HA LYS A 79 11.968 13.234 8.976 1.00 0.00 H new ATOM 0 HB2 LYS A 79 13.760 12.797 6.556 1.00 0.00 H new ATOM 0 HB3 LYS A 79 14.236 12.418 8.199 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.666 11.251 7.172 1.00 0.00 H new ATOM 0 HG3 LYS A 79 13.173 10.584 6.576 1.00 0.00 H new ATOM 0 HD2 LYS A 79 13.918 10.312 8.991 1.00 0.00 H new ATOM 0 HD3 LYS A 79 12.309 10.799 9.485 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.316 8.844 8.717 1.00 0.00 H new ATOM 0 HE3 LYS A 79 12.511 8.597 7.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 12.749 6.977 9.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 14.127 7.967 9.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 12.969 8.206 10.375 1.00 0.00 H new ATOM 1209 N LYS A 80 13.698 14.966 9.591 1.00 0.00 N ATOM 1210 CA LYS A 80 14.471 16.130 10.009 1.00 0.00 C ATOM 1211 C LYS A 80 15.957 15.796 10.092 1.00 0.00 C ATOM 1212 O LYS A 80 16.424 15.241 11.085 1.00 0.00 O ATOM 1213 CB LYS A 80 13.975 16.638 11.365 1.00 0.00 C ATOM 1214 CG LYS A 80 12.629 17.339 11.296 1.00 0.00 C ATOM 1215 CD LYS A 80 12.759 18.740 10.723 1.00 0.00 C ATOM 1216 CE LYS A 80 11.450 19.217 10.115 1.00 0.00 C ATOM 1217 NZ LYS A 80 11.102 18.459 8.881 1.00 0.00 N ATOM 0 H LYS A 80 13.562 14.267 10.321 1.00 0.00 H new ATOM 0 HA LYS A 80 14.334 16.912 9.263 1.00 0.00 H new ATOM 0 HB2 LYS A 80 13.902 15.797 12.054 1.00 0.00 H new ATOM 0 HB3 LYS A 80 14.713 17.326 11.778 1.00 0.00 H new ATOM 0 HG2 LYS A 80 11.945 16.755 10.680 1.00 0.00 H new ATOM 0 HG3 LYS A 80 12.194 17.392 12.294 1.00 0.00 H new ATOM 0 HD2 LYS A 80 13.068 19.429 11.509 1.00 0.00 H new ATOM 0 HD3 LYS A 80 13.540 18.752 9.963 1.00 0.00 H new ATOM 0 HE2 LYS A 80 10.649 19.108 10.846 1.00 0.00 H new ATOM 0 HE3 LYS A 80 11.524 20.279 9.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 10.433 19.014 8.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 11.965 18.281 8.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 10.665 17.552 9.142 1.00 0.00 H new ATOM 1231 N GLY A 81 16.696 16.140 9.041 1.00 0.00 N ATOM 1232 CA GLY A 81 18.121 15.870 9.017 1.00 0.00 C ATOM 1233 C GLY A 81 18.832 16.605 7.898 1.00 0.00 C ATOM 1234 O GLY A 81 18.825 17.835 7.852 1.00 0.00 O ATOM 0 H GLY A 81 16.333 16.601 8.207 1.00 0.00 H new ATOM 0 HA2 GLY A 81 18.558 16.159 9.973 1.00 0.00 H new ATOM 0 HA3 GLY A 81 18.283 14.798 8.904 1.00 0.00 H new ATOM 1238 N SER A 82 19.449 15.851 6.994 1.00 0.00 N ATOM 1239 CA SER A 82 20.172 16.439 5.873 1.00 0.00 C ATOM 1240 C SER A 82 20.677 15.356 4.924 1.00 0.00 C ATOM 1241 O SER A 82 21.521 14.539 5.289 1.00 0.00 O ATOM 1242 CB SER A 82 21.348 17.277 6.380 1.00 0.00 C ATOM 1243 OG SER A 82 21.804 18.173 5.381 1.00 0.00 O ATOM 0 H SER A 82 19.463 14.831 7.016 1.00 0.00 H new ATOM 0 HA SER A 82 19.484 17.084 5.327 1.00 0.00 H new ATOM 0 HB2 SER A 82 21.045 17.837 7.264 1.00 0.00 H new ATOM 0 HB3 SER A 82 22.163 16.620 6.683 1.00 0.00 H new ATOM 0 HG SER A 82 22.554 18.698 5.730 1.00 0.00 H new ATOM 1249 N GLY A 83 20.152 15.357 3.702 1.00 0.00 N ATOM 1250 CA GLY A 83 20.560 14.371 2.718 1.00 0.00 C ATOM 1251 C GLY A 83 20.729 14.968 1.335 1.00 0.00 C ATOM 1252 O GLY A 83 19.987 15.861 0.926 1.00 0.00 O ATOM 0 H GLY A 83 19.452 16.023 3.376 1.00 0.00 H new ATOM 0 HA2 GLY A 83 21.500 13.917 3.032 1.00 0.00 H new ATOM 0 HA3 GLY A 83 19.818 13.573 2.678 1.00 0.00 H new ATOM 1256 N PRO A 84 21.727 14.470 0.590 1.00 0.00 N ATOM 1257 CA PRO A 84 22.015 14.946 -0.767 1.00 0.00 C ATOM 1258 C PRO A 84 20.936 14.540 -1.765 1.00 0.00 C ATOM 1259 O PRO A 84 20.195 13.583 -1.537 1.00 0.00 O ATOM 1260 CB PRO A 84 23.342 14.264 -1.108 1.00 0.00 C ATOM 1261 CG PRO A 84 23.369 13.041 -0.257 1.00 0.00 C ATOM 1262 CD PRO A 84 22.651 13.404 1.013 1.00 0.00 C ATOM 0 HA PRO A 84 22.054 16.034 -0.817 1.00 0.00 H new ATOM 0 HB2 PRO A 84 23.396 14.011 -2.167 1.00 0.00 H new ATOM 0 HB3 PRO A 84 24.189 14.915 -0.892 1.00 0.00 H new ATOM 0 HG2 PRO A 84 22.878 12.206 -0.758 1.00 0.00 H new ATOM 0 HG3 PRO A 84 24.394 12.731 -0.051 1.00 0.00 H new ATOM 0 HD2 PRO A 84 22.116 12.551 1.430 1.00 0.00 H new ATOM 0 HD3 PRO A 84 23.343 13.753 1.780 1.00 0.00 H new ATOM 1270 N SER A 85 20.853 15.272 -2.871 1.00 0.00 N ATOM 1271 CA SER A 85 19.862 14.990 -3.902 1.00 0.00 C ATOM 1272 C SER A 85 20.516 14.354 -5.125 1.00 0.00 C ATOM 1273 O SER A 85 21.128 15.040 -5.943 1.00 0.00 O ATOM 1274 CB SER A 85 19.137 16.275 -4.308 1.00 0.00 C ATOM 1275 OG SER A 85 18.373 16.791 -3.233 1.00 0.00 O ATOM 0 H SER A 85 21.461 16.065 -3.076 1.00 0.00 H new ATOM 0 HA SER A 85 19.138 14.287 -3.492 1.00 0.00 H new ATOM 0 HB2 SER A 85 19.864 17.020 -4.632 1.00 0.00 H new ATOM 0 HB3 SER A 85 18.485 16.075 -5.158 1.00 0.00 H new ATOM 0 HG SER A 85 17.921 17.613 -3.518 1.00 0.00 H new ATOM 1281 N SER A 86 20.382 13.036 -5.241 1.00 0.00 N ATOM 1282 CA SER A 86 20.963 12.305 -6.361 1.00 0.00 C ATOM 1283 C SER A 86 20.141 12.511 -7.630 1.00 0.00 C ATOM 1284 O SER A 86 18.987 12.093 -7.710 1.00 0.00 O ATOM 1285 CB SER A 86 21.051 10.813 -6.033 1.00 0.00 C ATOM 1286 OG SER A 86 22.015 10.168 -6.847 1.00 0.00 O ATOM 0 H SER A 86 19.877 12.453 -4.574 1.00 0.00 H new ATOM 0 HA SER A 86 21.967 12.692 -6.533 1.00 0.00 H new ATOM 0 HB2 SER A 86 21.312 10.683 -4.983 1.00 0.00 H new ATOM 0 HB3 SER A 86 20.077 10.347 -6.179 1.00 0.00 H new ATOM 0 HG SER A 86 22.053 9.216 -6.617 1.00 0.00 H new ATOM 1292 N GLY A 87 20.745 13.161 -8.621 1.00 0.00 N ATOM 1293 CA GLY A 87 20.056 13.412 -9.872 1.00 0.00 C ATOM 1294 C GLY A 87 19.922 12.164 -10.722 1.00 0.00 C ATOM 1295 O GLY A 87 19.945 12.235 -11.950 1.00 0.00 O ATOM 0 H GLY A 87 21.700 13.518 -8.579 1.00 0.00 H new ATOM 0 HA2 GLY A 87 19.064 13.813 -9.663 1.00 0.00 H new ATOM 0 HA3 GLY A 87 20.596 14.174 -10.434 1.00 0.00 H new TER 1299 GLY A 87