USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 596 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 Single : A 1 HIS : no HD1:sc= -0.193 X(o=-0.19,f=-0.036) USER MOD Single : A 1 HIS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -161:sc= -0.0463 (180deg=-0.335) USER MOD Single : A 8 TYR OH : rot 18:sc= 2 USER MOD Single : A 9 TYR OH : rot 40:sc= -0.166 USER MOD Single : A 10 GLN : amide:sc= -0.0513 K(o=-0.051,f=-1.9!) USER MOD Single : A 17 ASN : amide:sc= -0.542 K(o=-0.54,f=-4.6!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -2.69 K(o=-2.7,f=-0.31) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -129:sc= 0 (180deg=-0.241) USER MOD Single : A 25 LYS NZ :NH3+ -148:sc= -0.114 (180deg=-0.773) USER MOD Single : A 27 TYR OH : rot 180:sc= -0.473 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.4 X(o=-0.4,f=-0.23) USER MOD Single : A 32 LYS NZ :NH3+ 168:sc= -0.0341 (180deg=-0.189) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -1.64 K(o=-1.6,f=-1) USER MOD Single : A 38 THR OG1 : rot -44:sc= 0.0645 USER MOD Single : A 39 ASN : amide:sc= -2.37! C(o=-2.4!,f=-4.1!) USER MOD Single : A 40 LYS NZ :NH3+ -155:sc= 0.00213 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00175) USER MOD Single : A 46 LYS NZ :NH3+ 145:sc= -0.0749 (180deg=-0.562) USER MOD Single : A 48 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.219) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.347 X(o=-0.35,f=-0.34) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -126:sc= 0.749 (180deg=-0.265) USER MOD Single : A 66 LYS NZ :NH3+ 161:sc= -0.0707 (180deg=-0.461) USER MOD Single : A 67 GLN : amide:sc= -0.544 X(o=-0.54,f=-0.33) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 1.385 2.571 -0.536 1.00 73.32 N ATOM 2 CA HIS A 1 1.165 2.076 -1.891 1.00 3.12 C ATOM 3 C HIS A 1 0.647 0.641 -1.868 1.00 11.40 C ATOM 4 O HIS A 1 1.108 -0.183 -1.079 1.00 13.54 O ATOM 5 CB HIS A 1 2.461 2.150 -2.699 1.00 71.23 C ATOM 6 CG HIS A 1 2.240 2.276 -4.175 1.00 54.22 C ATOM 7 ND1 HIS A 1 3.203 1.962 -5.110 1.00 41.33 N ATOM 8 CD2 HIS A 1 1.156 2.684 -4.876 1.00 73.31 C ATOM 9 CE1 HIS A 1 2.722 2.173 -6.323 1.00 21.15 C ATOM 10 NE2 HIS A 1 1.481 2.611 -6.208 1.00 61.52 N ATOM 0 H1 HIS A 1 1.737 3.549 -0.576 1.00 73.32 H new ATOM 0 H2 HIS A 1 0.489 2.547 -0.008 1.00 73.32 H new ATOM 0 H3 HIS A 1 2.086 1.970 -0.056 1.00 73.32 H new ATOM 0 HA HIS A 1 0.413 2.707 -2.365 1.00 3.12 H new ATOM 0 HB2 HIS A 1 3.047 3.002 -2.354 1.00 71.23 H new ATOM 0 HB3 HIS A 1 3.053 1.256 -2.504 1.00 71.23 H new ATOM 0 HD2 HIS A 1 0.211 3.007 -4.464 1.00 73.31 H new ATOM 0 HE1 HIS A 1 3.253 2.014 -7.250 1.00 21.15 H new ATOM 0 HE2 HIS A 1 0.864 2.855 -6.983 1.00 61.52 H new ATOM 18 N MET A 2 -0.314 0.351 -2.738 1.00 74.24 N ATOM 19 CA MET A 2 -0.895 -0.985 -2.818 1.00 2.32 C ATOM 20 C MET A 2 -1.479 -1.242 -4.203 1.00 73.10 C ATOM 21 O MET A 2 -2.245 -0.431 -4.725 1.00 50.24 O ATOM 22 CB MET A 2 -1.980 -1.156 -1.753 1.00 73.44 C ATOM 23 CG MET A 2 -2.393 -2.603 -1.535 1.00 14.24 C ATOM 24 SD MET A 2 -3.438 -2.814 -0.080 1.00 62.30 S ATOM 25 CE MET A 2 -4.398 -4.249 -0.558 1.00 43.12 C ATOM 0 H MET A 2 -0.707 1.022 -3.398 1.00 74.24 H new ATOM 0 HA MET A 2 -0.102 -1.711 -2.638 1.00 2.32 H new ATOM 0 HB2 MET A 2 -1.621 -0.743 -0.810 1.00 73.44 H new ATOM 0 HB3 MET A 2 -2.856 -0.576 -2.042 1.00 73.44 H new ATOM 0 HG2 MET A 2 -2.926 -2.962 -2.416 1.00 14.24 H new ATOM 0 HG3 MET A 2 -1.501 -3.220 -1.429 1.00 14.24 H new ATOM 0 HE1 MET A 2 -5.093 -4.504 0.242 1.00 43.12 H new ATOM 0 HE2 MET A 2 -4.957 -4.027 -1.467 1.00 43.12 H new ATOM 0 HE3 MET A 2 -3.729 -5.090 -0.740 1.00 43.12 H new ATOM 35 N LEU A 3 -1.114 -2.375 -4.793 1.00 42.43 N ATOM 36 CA LEU A 3 -1.602 -2.739 -6.119 1.00 11.31 C ATOM 37 C LEU A 3 -3.093 -3.057 -6.081 1.00 54.14 C ATOM 38 O LEU A 3 -3.521 -3.999 -5.415 1.00 25.11 O ATOM 39 CB LEU A 3 -0.826 -3.942 -6.657 1.00 43.33 C ATOM 40 CG LEU A 3 0.469 -3.624 -7.406 1.00 25.34 C ATOM 41 CD1 LEU A 3 1.601 -3.360 -6.425 1.00 5.00 C ATOM 42 CD2 LEU A 3 0.833 -4.762 -8.349 1.00 1.13 C ATOM 0 H LEU A 3 -0.482 -3.057 -4.374 1.00 42.43 H new ATOM 0 HA LEU A 3 -1.447 -1.888 -6.783 1.00 11.31 H new ATOM 0 HB2 LEU A 3 -0.587 -4.598 -5.820 1.00 43.33 H new ATOM 0 HB3 LEU A 3 -1.480 -4.502 -7.325 1.00 43.33 H new ATOM 0 HG LEU A 3 0.312 -2.723 -7.999 1.00 25.34 H new ATOM 0 HD11 LEU A 3 2.515 -3.135 -6.976 1.00 5.00 H new ATOM 0 HD12 LEU A 3 1.342 -2.512 -5.790 1.00 5.00 H new ATOM 0 HD13 LEU A 3 1.759 -4.243 -5.805 1.00 5.00 H new ATOM 0 HD21 LEU A 3 1.757 -4.518 -8.874 1.00 1.13 H new ATOM 0 HD22 LEU A 3 0.972 -5.679 -7.776 1.00 1.13 H new ATOM 0 HD23 LEU A 3 0.031 -4.905 -9.074 1.00 1.13 H new ATOM 54 N ALA A 4 -3.880 -2.266 -6.803 1.00 53.14 N ATOM 55 CA ALA A 4 -5.323 -2.466 -6.856 1.00 52.11 C ATOM 56 C ALA A 4 -5.667 -3.825 -7.455 1.00 74.33 C ATOM 57 O ALA A 4 -5.021 -4.282 -8.399 1.00 1.45 O ATOM 58 CB ALA A 4 -5.981 -1.352 -7.657 1.00 35.12 C ATOM 0 H ALA A 4 -3.542 -1.481 -7.359 1.00 53.14 H new ATOM 0 HA ALA A 4 -5.706 -2.440 -5.836 1.00 52.11 H new ATOM 0 HB1 ALA A 4 -7.058 -1.514 -7.688 1.00 35.12 H new ATOM 0 HB2 ALA A 4 -5.772 -0.392 -7.185 1.00 35.12 H new ATOM 0 HB3 ALA A 4 -5.585 -1.351 -8.672 1.00 35.12 H new ATOM 64 N LYS A 5 -6.689 -4.469 -6.902 1.00 34.05 N ATOM 65 CA LYS A 5 -7.121 -5.777 -7.381 1.00 2.30 C ATOM 66 C LYS A 5 -8.293 -5.642 -8.348 1.00 64.13 C ATOM 67 O LYS A 5 -9.435 -5.455 -7.931 1.00 2.13 O ATOM 68 CB LYS A 5 -7.518 -6.669 -6.203 1.00 12.01 C ATOM 69 CG LYS A 5 -6.470 -6.731 -5.106 1.00 4.42 C ATOM 70 CD LYS A 5 -6.908 -7.634 -3.965 1.00 51.04 C ATOM 71 CE LYS A 5 -5.768 -7.899 -2.994 1.00 50.21 C ATOM 72 NZ LYS A 5 -4.665 -8.670 -3.631 1.00 45.31 N ATOM 0 H LYS A 5 -7.235 -4.106 -6.120 1.00 34.05 H new ATOM 0 HA LYS A 5 -6.286 -6.236 -7.911 1.00 2.30 H new ATOM 0 HB2 LYS A 5 -8.453 -6.303 -5.780 1.00 12.01 H new ATOM 0 HB3 LYS A 5 -7.708 -7.678 -6.570 1.00 12.01 H new ATOM 0 HG2 LYS A 5 -5.530 -7.096 -5.520 1.00 4.42 H new ATOM 0 HG3 LYS A 5 -6.281 -5.727 -4.725 1.00 4.42 H new ATOM 0 HD2 LYS A 5 -7.740 -7.172 -3.433 1.00 51.04 H new ATOM 0 HD3 LYS A 5 -7.272 -8.580 -4.367 1.00 51.04 H new ATOM 0 HE2 LYS A 5 -5.380 -6.951 -2.622 1.00 50.21 H new ATOM 0 HE3 LYS A 5 -6.145 -8.450 -2.132 1.00 50.21 H new ATOM 0 HZ1 LYS A 5 -4.074 -9.104 -2.894 1.00 45.31 H new ATOM 0 HZ2 LYS A 5 -5.066 -9.415 -4.236 1.00 45.31 H new ATOM 0 HZ3 LYS A 5 -4.083 -8.030 -4.209 1.00 45.31 H new ATOM 86 N GLU A 6 -8.001 -5.740 -9.642 1.00 22.14 N ATOM 87 CA GLU A 6 -9.032 -5.630 -10.667 1.00 3.30 C ATOM 88 C GLU A 6 -9.433 -7.008 -11.185 1.00 52.44 C ATOM 89 O GLU A 6 -8.581 -7.854 -11.453 1.00 63.53 O ATOM 90 CB GLU A 6 -8.539 -4.760 -11.826 1.00 23.53 C ATOM 91 CG GLU A 6 -7.195 -5.196 -12.385 1.00 24.45 C ATOM 92 CD GLU A 6 -6.900 -4.583 -13.740 1.00 21.51 C ATOM 93 OE1 GLU A 6 -7.358 -5.146 -14.757 1.00 4.03 O ATOM 94 OE2 GLU A 6 -6.212 -3.542 -13.784 1.00 21.40 O ATOM 0 H GLU A 6 -7.060 -5.895 -10.004 1.00 22.14 H new ATOM 0 HA GLU A 6 -9.907 -5.161 -10.217 1.00 3.30 H new ATOM 0 HB2 GLU A 6 -9.280 -4.781 -12.625 1.00 23.53 H new ATOM 0 HB3 GLU A 6 -8.464 -3.727 -11.487 1.00 23.53 H new ATOM 0 HG2 GLU A 6 -6.407 -4.918 -11.685 1.00 24.45 H new ATOM 0 HG3 GLU A 6 -7.176 -6.283 -12.470 1.00 24.45 H new ATOM 101 N ASP A 7 -10.736 -7.224 -11.323 1.00 75.44 N ATOM 102 CA ASP A 7 -11.252 -8.499 -11.810 1.00 13.30 C ATOM 103 C ASP A 7 -10.788 -8.763 -13.239 1.00 12.20 C ATOM 104 O ASP A 7 -10.130 -7.923 -13.854 1.00 21.52 O ATOM 105 CB ASP A 7 -12.780 -8.512 -11.746 1.00 74.50 C ATOM 106 CG ASP A 7 -13.301 -8.466 -10.323 1.00 2.31 C ATOM 107 OD1 ASP A 7 -12.493 -8.653 -9.390 1.00 23.43 O ATOM 108 OD2 ASP A 7 -14.516 -8.242 -10.142 1.00 73.42 O ATOM 0 H ASP A 7 -11.454 -6.534 -11.105 1.00 75.44 H new ATOM 0 HA ASP A 7 -10.862 -9.290 -11.169 1.00 13.30 H new ATOM 0 HB2 ASP A 7 -13.171 -7.659 -12.301 1.00 74.50 H new ATOM 0 HB3 ASP A 7 -13.154 -9.410 -12.238 1.00 74.50 H new ATOM 113 N TYR A 8 -11.135 -9.934 -13.761 1.00 23.11 N ATOM 114 CA TYR A 8 -10.751 -10.311 -15.116 1.00 43.52 C ATOM 115 C TYR A 8 -11.450 -9.428 -16.146 1.00 31.04 C ATOM 116 O TYR A 8 -10.942 -9.218 -17.247 1.00 53.14 O ATOM 117 CB TYR A 8 -11.088 -11.780 -15.375 1.00 3.03 C ATOM 118 CG TYR A 8 -10.503 -12.725 -14.349 1.00 41.23 C ATOM 119 CD1 TYR A 8 -11.247 -13.788 -13.852 1.00 2.35 C ATOM 120 CD2 TYR A 8 -9.207 -12.554 -13.877 1.00 74.34 C ATOM 121 CE1 TYR A 8 -10.717 -14.653 -12.914 1.00 71.20 C ATOM 122 CE2 TYR A 8 -8.669 -13.416 -12.941 1.00 50.32 C ATOM 123 CZ TYR A 8 -9.428 -14.463 -12.462 1.00 62.34 C ATOM 124 OH TYR A 8 -8.896 -15.323 -11.529 1.00 4.33 O ATOM 0 H TYR A 8 -11.682 -10.639 -13.266 1.00 23.11 H new ATOM 0 HA TYR A 8 -9.675 -10.170 -15.213 1.00 43.52 H new ATOM 0 HB2 TYR A 8 -12.171 -11.898 -15.390 1.00 3.03 H new ATOM 0 HB3 TYR A 8 -10.723 -12.059 -16.364 1.00 3.03 H new ATOM 0 HD1 TYR A 8 -12.256 -13.941 -14.205 1.00 2.35 H new ATOM 0 HD2 TYR A 8 -8.611 -11.734 -14.248 1.00 74.34 H new ATOM 0 HE1 TYR A 8 -11.309 -15.474 -12.537 1.00 71.20 H new ATOM 0 HE2 TYR A 8 -7.659 -13.271 -12.586 1.00 50.32 H new ATOM 0 HH TYR A 8 -9.425 -16.148 -11.505 1.00 4.33 H new ATOM 134 N TYR A 9 -12.618 -8.914 -15.778 1.00 12.43 N ATOM 135 CA TYR A 9 -13.390 -8.055 -16.668 1.00 43.14 C ATOM 136 C TYR A 9 -12.530 -6.915 -17.206 1.00 63.34 C ATOM 137 O TYR A 9 -12.542 -6.626 -18.402 1.00 71.14 O ATOM 138 CB TYR A 9 -14.607 -7.488 -15.936 1.00 73.14 C ATOM 139 CG TYR A 9 -15.469 -8.546 -15.286 1.00 34.31 C ATOM 140 CD1 TYR A 9 -15.459 -8.729 -13.909 1.00 20.23 C ATOM 141 CD2 TYR A 9 -16.295 -9.363 -16.049 1.00 14.32 C ATOM 142 CE1 TYR A 9 -16.244 -9.695 -13.310 1.00 75.34 C ATOM 143 CE2 TYR A 9 -17.085 -10.330 -15.459 1.00 34.40 C ATOM 144 CZ TYR A 9 -17.056 -10.493 -14.090 1.00 31.14 C ATOM 145 OH TYR A 9 -17.841 -11.456 -13.497 1.00 51.33 O ATOM 0 H TYR A 9 -13.051 -9.077 -14.869 1.00 12.43 H new ATOM 0 HA TYR A 9 -13.730 -8.659 -17.509 1.00 43.14 H new ATOM 0 HB2 TYR A 9 -14.268 -6.788 -15.172 1.00 73.14 H new ATOM 0 HB3 TYR A 9 -15.213 -6.920 -16.642 1.00 73.14 H new ATOM 0 HD1 TYR A 9 -14.826 -8.105 -13.296 1.00 20.23 H new ATOM 0 HD2 TYR A 9 -16.319 -9.239 -17.122 1.00 14.32 H new ATOM 0 HE1 TYR A 9 -16.222 -9.825 -12.238 1.00 75.34 H new ATOM 0 HE2 TYR A 9 -17.722 -10.955 -16.067 1.00 34.40 H new ATOM 0 HH TYR A 9 -18.219 -11.103 -12.664 1.00 51.33 H new ATOM 155 N GLN A 10 -11.784 -6.273 -16.313 1.00 61.12 N ATOM 156 CA GLN A 10 -10.917 -5.165 -16.697 1.00 75.04 C ATOM 157 C GLN A 10 -9.681 -5.671 -17.433 1.00 2.30 C ATOM 158 O GLN A 10 -9.215 -5.045 -18.386 1.00 22.31 O ATOM 159 CB GLN A 10 -10.499 -4.365 -15.463 1.00 13.05 C ATOM 160 CG GLN A 10 -11.591 -3.449 -14.933 1.00 22.13 C ATOM 161 CD GLN A 10 -12.478 -4.130 -13.909 1.00 50.22 C ATOM 162 OE1 GLN A 10 -11.992 -4.799 -12.997 1.00 74.40 O ATOM 163 NE2 GLN A 10 -13.787 -3.962 -14.055 1.00 51.21 N ATOM 0 H GLN A 10 -11.762 -6.501 -15.319 1.00 61.12 H new ATOM 0 HA GLN A 10 -11.477 -4.515 -17.369 1.00 75.04 H new ATOM 0 HB2 GLN A 10 -10.203 -5.057 -14.675 1.00 13.05 H new ATOM 0 HB3 GLN A 10 -9.622 -3.767 -15.708 1.00 13.05 H new ATOM 0 HG2 GLN A 10 -11.134 -2.568 -14.483 1.00 22.13 H new ATOM 0 HG3 GLN A 10 -12.204 -3.101 -15.765 1.00 22.13 H new ATOM 0 HE21 GLN A 10 -14.146 -3.399 -14.826 1.00 51.21 H new ATOM 0 HE22 GLN A 10 -14.433 -4.396 -13.396 1.00 51.21 H new ATOM 172 N ILE A 11 -9.154 -6.805 -16.984 1.00 74.24 N ATOM 173 CA ILE A 11 -7.972 -7.394 -17.601 1.00 33.51 C ATOM 174 C ILE A 11 -8.230 -7.741 -19.063 1.00 41.04 C ATOM 175 O ILE A 11 -7.295 -7.883 -19.853 1.00 74.21 O ATOM 176 CB ILE A 11 -7.523 -8.665 -16.855 1.00 43.05 C ATOM 177 CG1 ILE A 11 -7.256 -8.351 -15.382 1.00 13.31 C ATOM 178 CG2 ILE A 11 -6.281 -9.252 -17.510 1.00 73.04 C ATOM 179 CD1 ILE A 11 -7.046 -9.583 -14.530 1.00 15.33 C ATOM 0 H ILE A 11 -9.527 -7.334 -16.196 1.00 74.24 H new ATOM 0 HA ILE A 11 -7.180 -6.648 -17.542 1.00 33.51 H new ATOM 0 HB ILE A 11 -8.323 -9.403 -16.910 1.00 43.05 H new ATOM 0 HG12 ILE A 11 -6.375 -7.714 -15.309 1.00 13.31 H new ATOM 0 HG13 ILE A 11 -8.095 -7.781 -14.982 1.00 13.31 H new ATOM 0 HG21 ILE A 11 -5.976 -10.149 -16.972 1.00 73.04 H new ATOM 0 HG22 ILE A 11 -6.502 -9.508 -18.546 1.00 73.04 H new ATOM 0 HG23 ILE A 11 -5.474 -8.520 -17.482 1.00 73.04 H new ATOM 0 HD11 ILE A 11 -6.862 -9.285 -13.498 1.00 15.33 H new ATOM 0 HD12 ILE A 11 -7.936 -10.211 -14.573 1.00 15.33 H new ATOM 0 HD13 ILE A 11 -6.189 -10.142 -14.904 1.00 15.33 H new ATOM 191 N LEU A 12 -9.503 -7.874 -19.419 1.00 10.14 N ATOM 192 CA LEU A 12 -9.885 -8.202 -20.788 1.00 11.13 C ATOM 193 C LEU A 12 -10.566 -7.015 -21.462 1.00 70.32 C ATOM 194 O LEU A 12 -10.724 -6.988 -22.682 1.00 24.00 O ATOM 195 CB LEU A 12 -10.817 -9.415 -20.801 1.00 52.24 C ATOM 196 CG LEU A 12 -10.143 -10.777 -20.968 1.00 75.25 C ATOM 197 CD1 LEU A 12 -11.141 -11.899 -20.728 1.00 35.30 C ATOM 198 CD2 LEU A 12 -9.524 -10.900 -22.353 1.00 40.40 C ATOM 0 H LEU A 12 -10.288 -7.760 -18.778 1.00 10.14 H new ATOM 0 HA LEU A 12 -8.979 -8.442 -21.345 1.00 11.13 H new ATOM 0 HB2 LEU A 12 -11.382 -9.424 -19.869 1.00 52.24 H new ATOM 0 HB3 LEU A 12 -11.537 -9.287 -21.609 1.00 52.24 H new ATOM 0 HG LEU A 12 -9.348 -10.860 -20.227 1.00 75.25 H new ATOM 0 HD11 LEU A 12 -10.644 -12.861 -20.851 1.00 35.30 H new ATOM 0 HD12 LEU A 12 -11.538 -11.823 -19.716 1.00 35.30 H new ATOM 0 HD13 LEU A 12 -11.958 -11.819 -21.445 1.00 35.30 H new ATOM 0 HD21 LEU A 12 -9.049 -11.876 -22.454 1.00 40.40 H new ATOM 0 HD22 LEU A 12 -10.302 -10.795 -23.110 1.00 40.40 H new ATOM 0 HD23 LEU A 12 -8.778 -10.117 -22.489 1.00 40.40 H new ATOM 210 N GLY A 13 -10.966 -6.034 -20.659 1.00 73.10 N ATOM 211 CA GLY A 13 -11.624 -4.857 -21.196 1.00 64.24 C ATOM 212 C GLY A 13 -13.080 -5.109 -21.531 1.00 54.34 C ATOM 213 O GLY A 13 -13.664 -4.411 -22.361 1.00 64.13 O ATOM 0 H GLY A 13 -10.846 -6.033 -19.646 1.00 73.10 H new ATOM 0 HA2 GLY A 13 -11.556 -4.045 -20.472 1.00 64.24 H new ATOM 0 HA3 GLY A 13 -11.099 -4.529 -22.093 1.00 64.24 H new ATOM 217 N VAL A 14 -13.670 -6.110 -20.886 1.00 12.13 N ATOM 218 CA VAL A 14 -15.068 -6.453 -21.120 1.00 1.40 C ATOM 219 C VAL A 14 -15.926 -6.119 -19.905 1.00 75.12 C ATOM 220 O VAL A 14 -15.458 -6.108 -18.767 1.00 3.12 O ATOM 221 CB VAL A 14 -15.231 -7.947 -21.455 1.00 63.04 C ATOM 222 CG1 VAL A 14 -14.376 -8.321 -22.657 1.00 53.10 C ATOM 223 CG2 VAL A 14 -14.875 -8.805 -20.250 1.00 52.15 C ATOM 0 H VAL A 14 -13.201 -6.698 -20.197 1.00 12.13 H new ATOM 0 HA VAL A 14 -15.402 -5.859 -21.971 1.00 1.40 H new ATOM 0 HB VAL A 14 -16.275 -8.133 -21.709 1.00 63.04 H new ATOM 0 HG11 VAL A 14 -14.504 -9.380 -22.879 1.00 53.10 H new ATOM 0 HG12 VAL A 14 -14.683 -7.730 -23.520 1.00 53.10 H new ATOM 0 HG13 VAL A 14 -13.328 -8.121 -22.434 1.00 53.10 H new ATOM 0 HG21 VAL A 14 -14.996 -9.858 -20.505 1.00 52.15 H new ATOM 0 HG22 VAL A 14 -13.840 -8.618 -19.963 1.00 52.15 H new ATOM 0 HG23 VAL A 14 -15.533 -8.555 -19.418 1.00 52.15 H new ATOM 233 N PRO A 15 -17.216 -5.841 -20.150 1.00 64.01 N ATOM 234 CA PRO A 15 -18.168 -5.503 -19.088 1.00 51.04 C ATOM 235 C PRO A 15 -18.493 -6.698 -18.199 1.00 74.43 C ATOM 236 O PRO A 15 -18.053 -7.817 -18.462 1.00 63.51 O ATOM 237 CB PRO A 15 -19.413 -5.055 -19.858 1.00 41.41 C ATOM 238 CG PRO A 15 -19.312 -5.742 -21.176 1.00 23.53 C ATOM 239 CD PRO A 15 -17.843 -5.836 -21.482 1.00 44.35 C ATOM 0 HA PRO A 15 -17.772 -4.745 -18.412 1.00 51.04 H new ATOM 0 HB2 PRO A 15 -20.326 -5.338 -19.333 1.00 41.41 H new ATOM 0 HB3 PRO A 15 -19.436 -3.972 -19.977 1.00 41.41 H new ATOM 0 HG2 PRO A 15 -19.766 -6.732 -21.136 1.00 23.53 H new ATOM 0 HG3 PRO A 15 -19.837 -5.181 -21.950 1.00 23.53 H new ATOM 0 HD2 PRO A 15 -17.606 -6.741 -22.041 1.00 44.35 H new ATOM 0 HD3 PRO A 15 -17.503 -4.992 -22.083 1.00 44.35 H new ATOM 247 N ARG A 16 -19.267 -6.454 -17.147 1.00 13.01 N ATOM 248 CA ARG A 16 -19.651 -7.511 -16.219 1.00 2.23 C ATOM 249 C ARG A 16 -20.771 -8.366 -16.802 1.00 75.51 C ATOM 250 O ARG A 16 -21.126 -9.405 -16.246 1.00 53.12 O ATOM 251 CB ARG A 16 -20.095 -6.910 -14.884 1.00 34.01 C ATOM 252 CG ARG A 16 -18.992 -6.159 -14.156 1.00 72.14 C ATOM 253 CD ARG A 16 -19.560 -5.099 -13.225 1.00 71.34 C ATOM 254 NE ARG A 16 -20.157 -5.685 -12.028 1.00 64.31 N ATOM 255 CZ ARG A 16 -20.850 -4.987 -11.135 1.00 64.33 C ATOM 256 NH1 ARG A 16 -21.032 -3.685 -11.304 1.00 75.02 N ATOM 257 NH2 ARG A 16 -21.362 -5.592 -10.071 1.00 24.00 N ATOM 0 H ARG A 16 -19.641 -5.534 -16.916 1.00 13.01 H new ATOM 0 HA ARG A 16 -18.782 -8.147 -16.052 1.00 2.23 H new ATOM 0 HB2 ARG A 16 -20.929 -6.231 -15.061 1.00 34.01 H new ATOM 0 HB3 ARG A 16 -20.464 -7.709 -14.241 1.00 34.01 H new ATOM 0 HG2 ARG A 16 -18.388 -6.863 -13.583 1.00 72.14 H new ATOM 0 HG3 ARG A 16 -18.329 -5.689 -14.883 1.00 72.14 H new ATOM 0 HD2 ARG A 16 -18.767 -4.409 -12.934 1.00 71.34 H new ATOM 0 HD3 ARG A 16 -20.312 -4.515 -13.756 1.00 71.34 H new ATOM 0 HE ARG A 16 -20.035 -6.685 -11.869 1.00 64.31 H new ATOM 0 HH11 ARG A 16 -20.640 -3.217 -12.121 1.00 75.02 H new ATOM 0 HH12 ARG A 16 -21.564 -3.151 -10.617 1.00 75.02 H new ATOM 0 HH21 ARG A 16 -21.224 -6.594 -9.938 1.00 24.00 H new ATOM 0 HH22 ARG A 16 -21.894 -5.055 -9.386 1.00 24.00 H new ATOM 271 N ASN A 17 -21.325 -7.922 -17.926 1.00 2.23 N ATOM 272 CA ASN A 17 -22.406 -8.646 -18.584 1.00 30.10 C ATOM 273 C ASN A 17 -21.959 -9.172 -19.945 1.00 31.14 C ATOM 274 O ASN A 17 -22.758 -9.723 -20.701 1.00 61.32 O ATOM 275 CB ASN A 17 -23.627 -7.740 -18.751 1.00 53.21 C ATOM 276 CG ASN A 17 -23.269 -6.390 -19.342 1.00 50.03 C ATOM 277 OD1 ASN A 17 -22.354 -6.280 -20.158 1.00 64.52 O ATOM 278 ND2 ASN A 17 -23.991 -5.354 -18.932 1.00 11.13 N ATOM 0 H ASN A 17 -21.043 -7.064 -18.400 1.00 2.23 H new ATOM 0 HA ASN A 17 -22.675 -9.496 -17.956 1.00 30.10 H new ATOM 0 HB2 ASN A 17 -24.357 -8.233 -19.394 1.00 53.21 H new ATOM 0 HB3 ASN A 17 -24.103 -7.594 -17.781 1.00 53.21 H new ATOM 0 HD21 ASN A 17 -23.796 -4.421 -19.295 1.00 11.13 H new ATOM 0 HD22 ASN A 17 -24.740 -5.491 -18.254 1.00 11.13 H new ATOM 285 N ALA A 18 -20.677 -8.998 -20.248 1.00 50.01 N ATOM 286 CA ALA A 18 -20.123 -9.457 -21.516 1.00 21.13 C ATOM 287 C ALA A 18 -20.428 -10.933 -21.745 1.00 63.55 C ATOM 288 O ALA A 18 -20.708 -11.673 -20.802 1.00 61.34 O ATOM 289 CB ALA A 18 -18.621 -9.214 -21.554 1.00 55.14 C ATOM 0 H ALA A 18 -20.003 -8.543 -19.633 1.00 50.01 H new ATOM 0 HA ALA A 18 -20.593 -8.887 -22.318 1.00 21.13 H new ATOM 0 HB1 ALA A 18 -18.220 -9.561 -22.506 1.00 55.14 H new ATOM 0 HB2 ALA A 18 -18.422 -8.148 -21.444 1.00 55.14 H new ATOM 0 HB3 ALA A 18 -18.144 -9.758 -20.739 1.00 55.14 H new ATOM 295 N SER A 19 -20.372 -11.356 -23.005 1.00 2.44 N ATOM 296 CA SER A 19 -20.647 -12.743 -23.359 1.00 25.35 C ATOM 297 C SER A 19 -19.362 -13.470 -23.744 1.00 62.04 C ATOM 298 O SER A 19 -18.357 -12.842 -24.075 1.00 43.51 O ATOM 299 CB SER A 19 -21.649 -12.809 -24.512 1.00 51.43 C ATOM 300 OG SER A 19 -22.573 -11.736 -24.446 1.00 70.24 O ATOM 0 H SER A 19 -20.139 -10.757 -23.797 1.00 2.44 H new ATOM 0 HA SER A 19 -21.076 -13.236 -22.487 1.00 25.35 H new ATOM 0 HB2 SER A 19 -21.117 -12.777 -25.463 1.00 51.43 H new ATOM 0 HB3 SER A 19 -22.185 -13.757 -24.478 1.00 51.43 H new ATOM 0 HG SER A 19 -23.202 -11.799 -25.195 1.00 70.24 H new ATOM 306 N GLN A 20 -19.404 -14.798 -23.699 1.00 40.31 N ATOM 307 CA GLN A 20 -18.243 -15.611 -24.043 1.00 54.51 C ATOM 308 C GLN A 20 -17.738 -15.274 -25.442 1.00 53.22 C ATOM 309 O GLN A 20 -16.559 -15.453 -25.748 1.00 73.13 O ATOM 310 CB GLN A 20 -18.592 -17.097 -23.958 1.00 74.41 C ATOM 311 CG GLN A 20 -19.299 -17.484 -22.669 1.00 2.23 C ATOM 312 CD GLN A 20 -18.595 -16.952 -21.436 1.00 13.52 C ATOM 313 OE1 GLN A 20 -19.007 -15.945 -20.858 1.00 21.11 O ATOM 314 NE2 GLN A 20 -17.528 -17.626 -21.026 1.00 25.04 N ATOM 0 H GLN A 20 -20.229 -15.333 -23.428 1.00 40.31 H new ATOM 0 HA GLN A 20 -17.451 -15.390 -23.328 1.00 54.51 H new ATOM 0 HB2 GLN A 20 -19.226 -17.361 -24.804 1.00 74.41 H new ATOM 0 HB3 GLN A 20 -17.677 -17.682 -24.050 1.00 74.41 H new ATOM 0 HG2 GLN A 20 -20.321 -17.105 -22.691 1.00 2.23 H new ATOM 0 HG3 GLN A 20 -19.363 -18.570 -22.606 1.00 2.23 H new ATOM 0 HE21 GLN A 20 -17.222 -18.455 -21.535 1.00 25.04 H new ATOM 0 HE22 GLN A 20 -17.014 -17.315 -20.202 1.00 25.04 H new ATOM 323 N LYS A 21 -18.638 -14.785 -26.289 1.00 31.11 N ATOM 324 CA LYS A 21 -18.285 -14.422 -27.656 1.00 41.11 C ATOM 325 C LYS A 21 -17.543 -13.089 -27.691 1.00 32.52 C ATOM 326 O LYS A 21 -16.489 -12.973 -28.314 1.00 4.51 O ATOM 327 CB LYS A 21 -19.542 -14.341 -28.525 1.00 41.31 C ATOM 328 CG LYS A 21 -20.261 -15.670 -28.681 1.00 3.33 C ATOM 329 CD LYS A 21 -21.508 -15.532 -29.537 1.00 70.15 C ATOM 330 CE LYS A 21 -21.159 -15.390 -31.011 1.00 71.01 C ATOM 331 NZ LYS A 21 -22.314 -14.894 -31.809 1.00 75.43 N ATOM 0 H LYS A 21 -19.618 -14.631 -26.052 1.00 31.11 H new ATOM 0 HA LYS A 21 -17.626 -15.195 -28.052 1.00 41.11 H new ATOM 0 HB2 LYS A 21 -20.229 -13.615 -28.089 1.00 41.31 H new ATOM 0 HB3 LYS A 21 -19.268 -13.968 -29.512 1.00 41.31 H new ATOM 0 HG2 LYS A 21 -19.587 -16.398 -29.133 1.00 3.33 H new ATOM 0 HG3 LYS A 21 -20.534 -16.055 -27.698 1.00 3.33 H new ATOM 0 HD2 LYS A 21 -22.146 -16.404 -29.395 1.00 70.15 H new ATOM 0 HD3 LYS A 21 -22.080 -14.663 -29.212 1.00 70.15 H new ATOM 0 HE2 LYS A 21 -20.320 -14.703 -31.121 1.00 71.01 H new ATOM 0 HE3 LYS A 21 -20.835 -16.354 -31.402 1.00 71.01 H new ATOM 0 HZ1 LYS A 21 -22.036 -14.811 -32.808 1.00 75.43 H new ATOM 0 HZ2 LYS A 21 -23.107 -15.562 -31.725 1.00 75.43 H new ATOM 0 HZ3 LYS A 21 -22.608 -13.962 -31.453 1.00 75.43 H new ATOM 345 N GLU A 22 -18.101 -12.089 -27.016 1.00 51.13 N ATOM 346 CA GLU A 22 -17.491 -10.765 -26.971 1.00 22.45 C ATOM 347 C GLU A 22 -16.110 -10.825 -26.323 1.00 14.01 C ATOM 348 O GLU A 22 -15.191 -10.113 -26.729 1.00 74.13 O ATOM 349 CB GLU A 22 -18.386 -9.793 -26.200 1.00 12.10 C ATOM 350 CG GLU A 22 -17.840 -8.376 -26.144 1.00 62.25 C ATOM 351 CD GLU A 22 -17.277 -7.915 -27.475 1.00 21.50 C ATOM 352 OE1 GLU A 22 -17.916 -8.184 -28.514 1.00 12.12 O ATOM 353 OE2 GLU A 22 -16.198 -7.287 -27.478 1.00 22.23 O ATOM 0 H GLU A 22 -18.973 -12.170 -26.493 1.00 51.13 H new ATOM 0 HA GLU A 22 -17.378 -10.409 -27.995 1.00 22.45 H new ATOM 0 HB2 GLU A 22 -19.372 -9.775 -26.663 1.00 12.10 H new ATOM 0 HB3 GLU A 22 -18.518 -10.163 -25.183 1.00 12.10 H new ATOM 0 HG2 GLU A 22 -18.634 -7.697 -25.835 1.00 62.25 H new ATOM 0 HG3 GLU A 22 -17.060 -8.321 -25.385 1.00 62.25 H new ATOM 360 N ILE A 23 -15.973 -11.678 -25.313 1.00 73.15 N ATOM 361 CA ILE A 23 -14.706 -11.831 -24.610 1.00 20.11 C ATOM 362 C ILE A 23 -13.599 -12.272 -25.561 1.00 43.55 C ATOM 363 O ILE A 23 -12.435 -11.907 -25.390 1.00 14.41 O ATOM 364 CB ILE A 23 -14.818 -12.853 -23.463 1.00 54.11 C ATOM 365 CG1 ILE A 23 -15.869 -12.399 -22.448 1.00 34.21 C ATOM 366 CG2 ILE A 23 -13.468 -13.042 -22.788 1.00 14.44 C ATOM 367 CD1 ILE A 23 -16.558 -13.544 -21.738 1.00 50.05 C ATOM 0 H ILE A 23 -16.724 -12.273 -24.964 1.00 73.15 H new ATOM 0 HA ILE A 23 -14.457 -10.855 -24.194 1.00 20.11 H new ATOM 0 HB ILE A 23 -15.131 -13.811 -23.878 1.00 54.11 H new ATOM 0 HG12 ILE A 23 -15.393 -11.756 -21.707 1.00 34.21 H new ATOM 0 HG13 ILE A 23 -16.619 -11.795 -22.959 1.00 34.21 H new ATOM 0 HG21 ILE A 23 -13.564 -13.767 -21.980 1.00 14.44 H new ATOM 0 HG22 ILE A 23 -12.744 -13.405 -23.518 1.00 14.44 H new ATOM 0 HG23 ILE A 23 -13.127 -12.089 -22.382 1.00 14.44 H new ATOM 0 HD11 ILE A 23 -17.290 -13.148 -21.034 1.00 50.05 H new ATOM 0 HD12 ILE A 23 -17.063 -14.175 -22.470 1.00 50.05 H new ATOM 0 HD13 ILE A 23 -15.818 -14.135 -21.198 1.00 50.05 H new ATOM 379 N LYS A 24 -13.968 -13.057 -26.567 1.00 73.41 N ATOM 380 CA LYS A 24 -13.008 -13.546 -27.550 1.00 32.25 C ATOM 381 C LYS A 24 -12.397 -12.390 -28.334 1.00 65.25 C ATOM 382 O LYS A 24 -11.199 -12.386 -28.622 1.00 13.44 O ATOM 383 CB LYS A 24 -13.685 -14.527 -28.510 1.00 24.22 C ATOM 384 CG LYS A 24 -14.124 -15.822 -27.847 1.00 41.44 C ATOM 385 CD LYS A 24 -15.200 -16.525 -28.657 1.00 71.12 C ATOM 386 CE LYS A 24 -14.604 -17.296 -29.825 1.00 53.44 C ATOM 387 NZ LYS A 24 -14.523 -16.462 -31.056 1.00 54.44 N ATOM 0 H LYS A 24 -14.926 -13.369 -26.723 1.00 73.41 H new ATOM 0 HA LYS A 24 -12.210 -14.062 -27.017 1.00 32.25 H new ATOM 0 HB2 LYS A 24 -14.554 -14.044 -28.956 1.00 24.22 H new ATOM 0 HB3 LYS A 24 -12.997 -14.760 -29.323 1.00 24.22 H new ATOM 0 HG2 LYS A 24 -13.265 -16.482 -27.731 1.00 41.44 H new ATOM 0 HG3 LYS A 24 -14.500 -15.610 -26.846 1.00 41.44 H new ATOM 0 HD2 LYS A 24 -15.753 -17.208 -28.013 1.00 71.12 H new ATOM 0 HD3 LYS A 24 -15.914 -15.791 -29.031 1.00 71.12 H new ATOM 0 HE2 LYS A 24 -13.607 -17.647 -29.558 1.00 53.44 H new ATOM 0 HE3 LYS A 24 -15.210 -18.180 -30.024 1.00 53.44 H new ATOM 0 HZ1 LYS A 24 -14.954 -16.975 -31.852 1.00 54.44 H new ATOM 0 HZ2 LYS A 24 -15.032 -15.568 -30.904 1.00 54.44 H new ATOM 0 HZ3 LYS A 24 -13.526 -16.260 -31.274 1.00 54.44 H new ATOM 401 N LYS A 25 -13.225 -11.410 -28.678 1.00 34.21 N ATOM 402 CA LYS A 25 -12.766 -10.247 -29.427 1.00 55.42 C ATOM 403 C LYS A 25 -11.880 -9.357 -28.561 1.00 51.15 C ATOM 404 O LYS A 25 -10.801 -8.941 -28.983 1.00 72.51 O ATOM 405 CB LYS A 25 -13.962 -9.444 -29.945 1.00 40.12 C ATOM 406 CG LYS A 25 -14.683 -10.107 -31.106 1.00 31.32 C ATOM 407 CD LYS A 25 -16.145 -9.698 -31.161 1.00 53.31 C ATOM 408 CE LYS A 25 -17.064 -10.865 -30.833 1.00 1.31 C ATOM 409 NZ LYS A 25 -16.858 -12.011 -31.761 1.00 52.45 N ATOM 0 H LYS A 25 -14.219 -11.398 -28.450 1.00 34.21 H new ATOM 0 HA LYS A 25 -12.178 -10.600 -30.274 1.00 55.42 H new ATOM 0 HB2 LYS A 25 -14.668 -9.292 -29.129 1.00 40.12 H new ATOM 0 HB3 LYS A 25 -13.619 -8.458 -30.257 1.00 40.12 H new ATOM 0 HG2 LYS A 25 -14.193 -9.837 -32.042 1.00 31.32 H new ATOM 0 HG3 LYS A 25 -14.611 -11.190 -31.010 1.00 31.32 H new ATOM 0 HD2 LYS A 25 -16.323 -8.885 -30.457 1.00 53.31 H new ATOM 0 HD3 LYS A 25 -16.380 -9.317 -32.155 1.00 53.31 H new ATOM 0 HE2 LYS A 25 -16.886 -11.191 -29.808 1.00 1.31 H new ATOM 0 HE3 LYS A 25 -18.102 -10.536 -30.887 1.00 1.31 H new ATOM 0 HZ1 LYS A 25 -17.758 -12.514 -31.896 1.00 52.45 H new ATOM 0 HZ2 LYS A 25 -16.518 -11.658 -32.678 1.00 52.45 H new ATOM 0 HZ3 LYS A 25 -16.154 -12.662 -31.358 1.00 52.45 H new ATOM 423 N ALA A 26 -12.342 -9.070 -27.349 1.00 10.21 N ATOM 424 CA ALA A 26 -11.589 -8.233 -26.423 1.00 52.31 C ATOM 425 C ALA A 26 -10.252 -8.873 -26.067 1.00 62.03 C ATOM 426 O ALA A 26 -9.270 -8.178 -25.805 1.00 42.05 O ATOM 427 CB ALA A 26 -12.404 -7.973 -25.164 1.00 62.24 C ATOM 0 H ALA A 26 -13.234 -9.405 -26.985 1.00 10.21 H new ATOM 0 HA ALA A 26 -11.387 -7.281 -26.915 1.00 52.31 H new ATOM 0 HB1 ALA A 26 -11.829 -7.347 -24.481 1.00 62.24 H new ATOM 0 HB2 ALA A 26 -13.331 -7.465 -25.429 1.00 62.24 H new ATOM 0 HB3 ALA A 26 -12.636 -8.921 -24.678 1.00 62.24 H new ATOM 433 N TYR A 27 -10.221 -10.201 -26.059 1.00 2.02 N ATOM 434 CA TYR A 27 -9.004 -10.935 -25.732 1.00 12.02 C ATOM 435 C TYR A 27 -7.992 -10.847 -26.870 1.00 72.12 C ATOM 436 O TYR A 27 -6.784 -10.799 -26.639 1.00 42.25 O ATOM 437 CB TYR A 27 -9.331 -12.400 -25.437 1.00 40.11 C ATOM 438 CG TYR A 27 -8.109 -13.255 -25.188 1.00 1.44 C ATOM 439 CD1 TYR A 27 -7.091 -12.817 -24.349 1.00 22.50 C ATOM 440 CD2 TYR A 27 -7.972 -14.498 -25.791 1.00 64.51 C ATOM 441 CE1 TYR A 27 -5.972 -13.595 -24.119 1.00 11.54 C ATOM 442 CE2 TYR A 27 -6.857 -15.283 -25.565 1.00 52.13 C ATOM 443 CZ TYR A 27 -5.860 -14.827 -24.729 1.00 11.54 C ATOM 444 OH TYR A 27 -4.748 -15.604 -24.502 1.00 63.33 O ATOM 0 H TYR A 27 -11.024 -10.791 -26.275 1.00 2.02 H new ATOM 0 HA TYR A 27 -8.564 -10.482 -24.844 1.00 12.02 H new ATOM 0 HB2 TYR A 27 -9.983 -12.450 -24.565 1.00 40.11 H new ATOM 0 HB3 TYR A 27 -9.890 -12.815 -26.276 1.00 40.11 H new ATOM 0 HD1 TYR A 27 -7.176 -11.853 -23.869 1.00 22.50 H new ATOM 0 HD2 TYR A 27 -8.750 -14.858 -26.448 1.00 64.51 H new ATOM 0 HE1 TYR A 27 -5.189 -13.240 -23.465 1.00 11.54 H new ATOM 0 HE2 TYR A 27 -6.767 -16.248 -26.041 1.00 52.13 H new ATOM 0 HH TYR A 27 -4.826 -16.441 -25.005 1.00 63.33 H new ATOM 454 N TYR A 28 -8.495 -10.826 -28.099 1.00 72.24 N ATOM 455 CA TYR A 28 -7.637 -10.746 -29.275 1.00 43.12 C ATOM 456 C TYR A 28 -7.091 -9.333 -29.456 1.00 11.41 C ATOM 457 O TYR A 28 -5.896 -9.141 -29.677 1.00 24.45 O ATOM 458 CB TYR A 28 -8.408 -11.170 -30.526 1.00 32.41 C ATOM 459 CG TYR A 28 -7.613 -11.030 -31.804 1.00 72.44 C ATOM 460 CD1 TYR A 28 -8.066 -10.225 -32.842 1.00 40.31 C ATOM 461 CD2 TYR A 28 -6.410 -11.704 -31.975 1.00 73.13 C ATOM 462 CE1 TYR A 28 -7.343 -10.094 -34.012 1.00 75.14 C ATOM 463 CE2 TYR A 28 -5.681 -11.578 -33.141 1.00 65.34 C ATOM 464 CZ TYR A 28 -6.151 -10.772 -34.157 1.00 33.50 C ATOM 465 OH TYR A 28 -5.428 -10.646 -35.321 1.00 1.43 O ATOM 0 H TYR A 28 -9.493 -10.863 -28.307 1.00 72.24 H new ATOM 0 HA TYR A 28 -6.797 -11.425 -29.126 1.00 43.12 H new ATOM 0 HB2 TYR A 28 -8.721 -12.208 -30.415 1.00 32.41 H new ATOM 0 HB3 TYR A 28 -9.315 -10.570 -30.604 1.00 32.41 H new ATOM 0 HD1 TYR A 28 -8.999 -9.693 -32.732 1.00 40.31 H new ATOM 0 HD2 TYR A 28 -6.039 -12.337 -31.183 1.00 73.13 H new ATOM 0 HE1 TYR A 28 -7.709 -9.464 -34.809 1.00 75.14 H new ATOM 0 HE2 TYR A 28 -4.747 -12.108 -33.257 1.00 65.34 H new ATOM 0 HH TYR A 28 -4.613 -11.188 -35.260 1.00 1.43 H new ATOM 475 N GLN A 29 -7.977 -8.347 -29.360 1.00 11.43 N ATOM 476 CA GLN A 29 -7.585 -6.950 -29.512 1.00 71.54 C ATOM 477 C GLN A 29 -6.543 -6.560 -28.469 1.00 72.43 C ATOM 478 O GLN A 29 -5.653 -5.752 -28.738 1.00 21.44 O ATOM 479 CB GLN A 29 -8.808 -6.040 -29.394 1.00 53.53 C ATOM 480 CG GLN A 29 -9.295 -5.857 -27.966 1.00 32.02 C ATOM 481 CD GLN A 29 -10.471 -4.905 -27.867 1.00 43.11 C ATOM 482 OE1 GLN A 29 -10.383 -3.855 -27.229 1.00 24.51 O ATOM 483 NE2 GLN A 29 -11.581 -5.266 -28.500 1.00 65.43 N ATOM 0 H GLN A 29 -8.970 -8.489 -29.178 1.00 11.43 H new ATOM 0 HA GLN A 29 -7.144 -6.828 -30.501 1.00 71.54 H new ATOM 0 HB2 GLN A 29 -8.566 -5.064 -29.814 1.00 53.53 H new ATOM 0 HB3 GLN A 29 -9.618 -6.454 -29.995 1.00 53.53 H new ATOM 0 HG2 GLN A 29 -9.582 -6.826 -27.557 1.00 32.02 H new ATOM 0 HG3 GLN A 29 -8.476 -5.482 -27.352 1.00 32.02 H new ATOM 0 HE21 GLN A 29 -11.610 -6.145 -29.017 1.00 65.43 H new ATOM 0 HE22 GLN A 29 -12.404 -4.665 -28.469 1.00 65.43 H new ATOM 492 N LEU A 30 -6.660 -7.139 -27.279 1.00 2.50 N ATOM 493 CA LEU A 30 -5.728 -6.851 -26.194 1.00 63.22 C ATOM 494 C LEU A 30 -4.374 -7.504 -26.452 1.00 44.05 C ATOM 495 O LEU A 30 -3.327 -6.901 -26.216 1.00 14.22 O ATOM 496 CB LEU A 30 -6.298 -7.342 -24.862 1.00 64.22 C ATOM 497 CG LEU A 30 -6.712 -6.256 -23.868 1.00 63.43 C ATOM 498 CD1 LEU A 30 -7.626 -5.242 -24.537 1.00 14.34 C ATOM 499 CD2 LEU A 30 -7.393 -6.875 -22.656 1.00 53.34 C ATOM 0 H LEU A 30 -7.390 -7.810 -27.041 1.00 2.50 H new ATOM 0 HA LEU A 30 -5.587 -5.771 -26.146 1.00 63.22 H new ATOM 0 HB2 LEU A 30 -7.167 -7.967 -25.070 1.00 64.22 H new ATOM 0 HB3 LEU A 30 -5.554 -7.979 -24.384 1.00 64.22 H new ATOM 0 HG LEU A 30 -5.815 -5.737 -23.530 1.00 63.43 H new ATOM 0 HD11 LEU A 30 -7.911 -4.477 -23.815 1.00 14.34 H new ATOM 0 HD12 LEU A 30 -7.103 -4.776 -25.372 1.00 14.34 H new ATOM 0 HD13 LEU A 30 -8.521 -5.745 -24.904 1.00 14.34 H new ATOM 0 HD21 LEU A 30 -7.681 -6.088 -21.959 1.00 53.34 H new ATOM 0 HD22 LEU A 30 -8.282 -7.419 -22.976 1.00 53.34 H new ATOM 0 HD23 LEU A 30 -6.705 -7.562 -22.163 1.00 53.34 H new ATOM 511 N ALA A 31 -4.402 -8.739 -26.941 1.00 62.54 N ATOM 512 CA ALA A 31 -3.177 -9.473 -27.236 1.00 42.51 C ATOM 513 C ALA A 31 -2.307 -8.710 -28.230 1.00 25.35 C ATOM 514 O ALA A 31 -1.081 -8.693 -28.112 1.00 11.33 O ATOM 515 CB ALA A 31 -3.507 -10.857 -27.774 1.00 43.01 C ATOM 0 H ALA A 31 -5.260 -9.253 -27.142 1.00 62.54 H new ATOM 0 HA ALA A 31 -2.615 -9.581 -26.308 1.00 42.51 H new ATOM 0 HB1 ALA A 31 -2.583 -11.393 -27.990 1.00 43.01 H new ATOM 0 HB2 ALA A 31 -4.082 -11.409 -27.030 1.00 43.01 H new ATOM 0 HB3 ALA A 31 -4.093 -10.762 -28.688 1.00 43.01 H new ATOM 521 N LYS A 32 -2.947 -8.081 -29.209 1.00 70.52 N ATOM 522 CA LYS A 32 -2.232 -7.317 -30.224 1.00 11.50 C ATOM 523 C LYS A 32 -1.485 -6.144 -29.596 1.00 35.11 C ATOM 524 O LYS A 32 -0.513 -5.641 -30.158 1.00 44.04 O ATOM 525 CB LYS A 32 -3.207 -6.804 -31.286 1.00 41.15 C ATOM 526 CG LYS A 32 -3.732 -7.893 -32.206 1.00 13.31 C ATOM 527 CD LYS A 32 -5.161 -7.613 -32.642 1.00 21.32 C ATOM 528 CE LYS A 32 -5.263 -6.306 -33.413 1.00 63.43 C ATOM 529 NZ LYS A 32 -4.432 -6.326 -34.649 1.00 40.21 N ATOM 0 H LYS A 32 -3.961 -8.085 -29.321 1.00 70.52 H new ATOM 0 HA LYS A 32 -1.505 -7.978 -30.696 1.00 11.50 H new ATOM 0 HB2 LYS A 32 -4.049 -6.321 -30.791 1.00 41.15 H new ATOM 0 HB3 LYS A 32 -2.710 -6.042 -31.886 1.00 41.15 H new ATOM 0 HG2 LYS A 32 -3.091 -7.969 -33.084 1.00 13.31 H new ATOM 0 HG3 LYS A 32 -3.688 -8.855 -31.695 1.00 13.31 H new ATOM 0 HD2 LYS A 32 -5.520 -8.433 -33.265 1.00 21.32 H new ATOM 0 HD3 LYS A 32 -5.808 -7.571 -31.766 1.00 21.32 H new ATOM 0 HE2 LYS A 32 -6.304 -6.121 -33.678 1.00 63.43 H new ATOM 0 HE3 LYS A 32 -4.945 -5.482 -32.775 1.00 63.43 H new ATOM 0 HZ1 LYS A 32 -4.680 -5.512 -35.247 1.00 40.21 H new ATOM 0 HZ2 LYS A 32 -3.426 -6.273 -34.392 1.00 40.21 H new ATOM 0 HZ3 LYS A 32 -4.609 -7.207 -35.172 1.00 40.21 H new ATOM 543 N LYS A 33 -1.946 -5.714 -28.426 1.00 42.21 N ATOM 544 CA LYS A 33 -1.320 -4.602 -27.719 1.00 75.33 C ATOM 545 C LYS A 33 -0.046 -5.054 -27.014 1.00 21.43 C ATOM 546 O LYS A 33 0.937 -4.315 -26.952 1.00 73.03 O ATOM 547 CB LYS A 33 -2.295 -4.005 -26.702 1.00 31.34 C ATOM 548 CG LYS A 33 -3.625 -3.589 -27.305 1.00 51.42 C ATOM 549 CD LYS A 33 -4.663 -3.311 -26.230 1.00 62.44 C ATOM 550 CE LYS A 33 -4.558 -1.887 -25.708 1.00 43.33 C ATOM 551 NZ LYS A 33 -5.629 -1.577 -24.721 1.00 62.30 N ATOM 0 H LYS A 33 -2.751 -6.118 -27.947 1.00 42.21 H new ATOM 0 HA LYS A 33 -1.057 -3.839 -28.452 1.00 75.33 H new ATOM 0 HB2 LYS A 33 -2.476 -4.735 -25.913 1.00 31.34 H new ATOM 0 HB3 LYS A 33 -1.831 -3.137 -26.233 1.00 31.34 H new ATOM 0 HG2 LYS A 33 -3.485 -2.697 -27.916 1.00 51.42 H new ATOM 0 HG3 LYS A 33 -3.987 -4.376 -27.967 1.00 51.42 H new ATOM 0 HD2 LYS A 33 -5.661 -3.478 -26.635 1.00 62.44 H new ATOM 0 HD3 LYS A 33 -4.531 -4.012 -25.406 1.00 62.44 H new ATOM 0 HE2 LYS A 33 -3.583 -1.742 -25.243 1.00 43.33 H new ATOM 0 HE3 LYS A 33 -4.620 -1.189 -26.543 1.00 43.33 H new ATOM 0 HZ1 LYS A 33 -5.522 -0.597 -24.389 1.00 62.30 H new ATOM 0 HZ2 LYS A 33 -6.560 -1.691 -25.171 1.00 62.30 H new ATOM 0 HZ3 LYS A 33 -5.554 -2.226 -23.912 1.00 62.30 H new ATOM 565 N TYR A 34 -0.069 -6.272 -26.484 1.00 63.41 N ATOM 566 CA TYR A 34 1.085 -6.822 -25.782 1.00 71.32 C ATOM 567 C TYR A 34 1.830 -7.824 -26.659 1.00 53.04 C ATOM 568 O TYR A 34 2.561 -8.681 -26.161 1.00 12.52 O ATOM 569 CB TYR A 34 0.644 -7.496 -24.482 1.00 14.44 C ATOM 570 CG TYR A 34 -0.079 -6.566 -23.533 1.00 50.23 C ATOM 571 CD1 TYR A 34 0.624 -5.785 -22.624 1.00 53.12 C ATOM 572 CD2 TYR A 34 -1.465 -6.468 -23.547 1.00 51.53 C ATOM 573 CE1 TYR A 34 -0.033 -4.935 -21.755 1.00 44.35 C ATOM 574 CE2 TYR A 34 -2.130 -5.619 -22.683 1.00 42.13 C ATOM 575 CZ TYR A 34 -1.409 -4.855 -21.789 1.00 12.00 C ATOM 576 OH TYR A 34 -2.067 -4.008 -20.926 1.00 63.23 O ATOM 0 H TYR A 34 -0.874 -6.897 -26.527 1.00 63.41 H new ATOM 0 HA TYR A 34 1.760 -5.999 -25.547 1.00 71.32 H new ATOM 0 HB2 TYR A 34 -0.008 -8.336 -24.721 1.00 14.44 H new ATOM 0 HB3 TYR A 34 1.520 -7.905 -23.979 1.00 14.44 H new ATOM 0 HD1 TYR A 34 1.702 -5.843 -22.596 1.00 53.12 H new ATOM 0 HD2 TYR A 34 -2.032 -7.066 -24.245 1.00 51.53 H new ATOM 0 HE1 TYR A 34 0.528 -4.336 -21.053 1.00 44.35 H new ATOM 0 HE2 TYR A 34 -3.208 -5.554 -22.708 1.00 42.13 H new ATOM 0 HH TYR A 34 -3.033 -4.070 -21.080 1.00 63.23 H new ATOM 586 N HIS A 35 1.639 -7.710 -27.970 1.00 10.41 N ATOM 587 CA HIS A 35 2.293 -8.604 -28.919 1.00 1.24 C ATOM 588 C HIS A 35 3.810 -8.449 -28.855 1.00 14.54 C ATOM 589 O HIS A 35 4.335 -7.449 -28.364 1.00 65.21 O ATOM 590 CB HIS A 35 1.800 -8.324 -30.339 1.00 33.55 C ATOM 591 CG HIS A 35 0.871 -9.374 -30.867 1.00 63.14 C ATOM 592 ND1 HIS A 35 0.653 -9.576 -32.214 1.00 35.23 N ATOM 593 CD2 HIS A 35 0.104 -10.284 -30.222 1.00 65.14 C ATOM 594 CE1 HIS A 35 -0.210 -10.564 -32.374 1.00 11.20 C ATOM 595 NE2 HIS A 35 -0.558 -11.011 -31.181 1.00 1.02 N ATOM 0 H HIS A 35 1.037 -7.007 -28.399 1.00 10.41 H new ATOM 0 HA HIS A 35 2.038 -9.629 -28.649 1.00 1.24 H new ATOM 0 HB2 HIS A 35 1.292 -7.360 -30.355 1.00 33.55 H new ATOM 0 HB3 HIS A 35 2.660 -8.243 -31.004 1.00 33.55 H new ATOM 0 HD2 HIS A 35 0.027 -10.414 -29.153 1.00 65.14 H new ATOM 0 HE1 HIS A 35 -0.570 -10.942 -33.320 1.00 11.20 H new ATOM 0 HE2 HIS A 35 -1.212 -11.773 -31.001 1.00 1.02 H new ATOM 603 N PRO A 36 4.530 -9.460 -29.361 1.00 24.12 N ATOM 604 CA PRO A 36 5.996 -9.459 -29.372 1.00 63.25 C ATOM 605 C PRO A 36 6.568 -8.435 -30.347 1.00 13.01 C ATOM 606 O PRO A 36 7.774 -8.189 -30.367 1.00 12.52 O ATOM 607 CB PRO A 36 6.348 -10.879 -29.822 1.00 63.52 C ATOM 608 CG PRO A 36 5.164 -11.334 -30.603 1.00 34.13 C ATOM 609 CD PRO A 36 3.970 -10.682 -29.961 1.00 60.23 C ATOM 0 HA PRO A 36 6.410 -9.189 -28.401 1.00 63.25 H new ATOM 0 HB2 PRO A 36 7.252 -10.888 -30.432 1.00 63.52 H new ATOM 0 HB3 PRO A 36 6.533 -11.530 -28.968 1.00 63.52 H new ATOM 0 HG2 PRO A 36 5.252 -11.043 -31.650 1.00 34.13 H new ATOM 0 HG3 PRO A 36 5.075 -12.420 -30.580 1.00 34.13 H new ATOM 0 HD2 PRO A 36 3.196 -10.452 -30.693 1.00 60.23 H new ATOM 0 HD3 PRO A 36 3.516 -11.327 -29.209 1.00 60.23 H new ATOM 617 N ASP A 37 5.695 -7.841 -31.153 1.00 73.10 N ATOM 618 CA ASP A 37 6.113 -6.842 -32.129 1.00 54.34 C ATOM 619 C ASP A 37 6.367 -5.497 -31.456 1.00 23.05 C ATOM 620 O ASP A 37 7.102 -4.658 -31.977 1.00 41.42 O ATOM 621 CB ASP A 37 5.051 -6.687 -33.219 1.00 74.11 C ATOM 622 CG ASP A 37 3.914 -5.778 -32.795 1.00 32.21 C ATOM 623 OD1 ASP A 37 3.153 -6.166 -31.884 1.00 3.24 O ATOM 624 OD2 ASP A 37 3.784 -4.680 -33.375 1.00 0.41 O ATOM 0 H ASP A 37 4.693 -8.034 -31.150 1.00 73.10 H new ATOM 0 HA ASP A 37 7.043 -7.182 -32.584 1.00 54.34 H new ATOM 0 HB2 ASP A 37 5.515 -6.287 -34.120 1.00 74.11 H new ATOM 0 HB3 ASP A 37 4.652 -7.668 -33.475 1.00 74.11 H new ATOM 629 N THR A 38 5.754 -5.298 -30.293 1.00 1.32 N ATOM 630 CA THR A 38 5.912 -4.055 -29.549 1.00 3.35 C ATOM 631 C THR A 38 6.777 -4.261 -28.310 1.00 61.54 C ATOM 632 O THR A 38 6.921 -3.361 -27.485 1.00 14.13 O ATOM 633 CB THR A 38 4.549 -3.480 -29.119 1.00 23.13 C ATOM 634 OG1 THR A 38 4.020 -4.240 -28.026 1.00 50.43 O ATOM 635 CG2 THR A 38 3.565 -3.497 -30.278 1.00 40.54 C ATOM 0 H THR A 38 5.143 -5.982 -29.846 1.00 1.32 H new ATOM 0 HA THR A 38 6.402 -3.347 -30.218 1.00 3.35 H new ATOM 0 HB THR A 38 4.698 -2.447 -28.805 1.00 23.13 H new ATOM 0 HG1 THR A 38 4.135 -5.196 -28.206 1.00 50.43 H new ATOM 0 HG21 THR A 38 2.610 -3.086 -29.950 1.00 40.54 H new ATOM 0 HG22 THR A 38 3.957 -2.894 -31.097 1.00 40.54 H new ATOM 0 HG23 THR A 38 3.421 -4.522 -30.618 1.00 40.54 H new ATOM 643 N ASN A 39 7.352 -5.453 -28.188 1.00 62.52 N ATOM 644 CA ASN A 39 8.204 -5.778 -27.050 1.00 31.13 C ATOM 645 C ASN A 39 9.644 -5.343 -27.306 1.00 15.43 C ATOM 646 O ASN A 39 10.508 -5.476 -26.439 1.00 70.43 O ATOM 647 CB ASN A 39 8.157 -7.280 -26.763 1.00 60.31 C ATOM 648 CG ASN A 39 7.057 -7.648 -25.786 1.00 60.53 C ATOM 649 OD1 ASN A 39 7.300 -8.326 -24.787 1.00 52.42 O ATOM 650 ND2 ASN A 39 5.839 -7.203 -26.072 1.00 20.02 N ATOM 0 H ASN A 39 7.243 -6.210 -28.863 1.00 62.52 H new ATOM 0 HA ASN A 39 7.829 -5.237 -26.181 1.00 31.13 H new ATOM 0 HB2 ASN A 39 8.005 -7.821 -27.697 1.00 60.31 H new ATOM 0 HB3 ASN A 39 9.118 -7.601 -26.361 1.00 60.31 H new ATOM 0 HD21 ASN A 39 5.058 -7.420 -25.452 1.00 20.02 H new ATOM 0 HD22 ASN A 39 5.684 -6.644 -26.911 1.00 20.02 H new ATOM 657 N LYS A 40 9.894 -4.820 -28.501 1.00 70.04 N ATOM 658 CA LYS A 40 11.228 -4.362 -28.873 1.00 34.33 C ATOM 659 C LYS A 40 11.790 -3.413 -27.819 1.00 60.23 C ATOM 660 O LYS A 40 12.973 -3.474 -27.484 1.00 31.25 O ATOM 661 CB LYS A 40 11.189 -3.665 -30.234 1.00 41.23 C ATOM 662 CG LYS A 40 10.601 -4.523 -31.341 1.00 15.12 C ATOM 663 CD LYS A 40 11.341 -5.843 -31.477 1.00 4.41 C ATOM 664 CE LYS A 40 10.615 -6.967 -30.755 1.00 13.23 C ATOM 665 NZ LYS A 40 10.680 -8.247 -31.513 1.00 51.42 N ATOM 0 H LYS A 40 9.190 -4.702 -29.230 1.00 70.04 H new ATOM 0 HA LYS A 40 11.880 -5.233 -28.937 1.00 34.33 H new ATOM 0 HB2 LYS A 40 10.605 -2.749 -30.147 1.00 41.23 H new ATOM 0 HB3 LYS A 40 12.202 -3.372 -30.512 1.00 41.23 H new ATOM 0 HG2 LYS A 40 9.548 -4.715 -31.133 1.00 15.12 H new ATOM 0 HG3 LYS A 40 10.646 -3.981 -32.285 1.00 15.12 H new ATOM 0 HD2 LYS A 40 11.446 -6.095 -32.532 1.00 4.41 H new ATOM 0 HD3 LYS A 40 12.348 -5.740 -31.072 1.00 4.41 H new ATOM 0 HE2 LYS A 40 11.054 -7.107 -29.767 1.00 13.23 H new ATOM 0 HE3 LYS A 40 9.572 -6.687 -30.603 1.00 13.23 H new ATOM 0 HZ1 LYS A 40 9.872 -8.847 -31.251 1.00 51.42 H new ATOM 0 HZ2 LYS A 40 10.647 -8.048 -32.533 1.00 51.42 H new ATOM 0 HZ3 LYS A 40 11.566 -8.741 -31.285 1.00 51.42 H new ATOM 679 N ASP A 41 10.935 -2.539 -27.301 1.00 41.50 N ATOM 680 CA ASP A 41 11.346 -1.578 -26.283 1.00 64.25 C ATOM 681 C ASP A 41 10.572 -1.795 -24.987 1.00 53.33 C ATOM 682 O ASP A 41 10.519 -0.913 -24.130 1.00 32.15 O ATOM 683 CB ASP A 41 11.136 -0.149 -26.786 1.00 35.04 C ATOM 684 CG ASP A 41 12.324 0.370 -27.570 1.00 43.32 C ATOM 685 OD1 ASP A 41 12.181 0.584 -28.792 1.00 13.21 O ATOM 686 OD2 ASP A 41 13.399 0.562 -26.963 1.00 13.04 O ATOM 0 H ASP A 41 9.953 -2.476 -27.569 1.00 41.50 H new ATOM 0 HA ASP A 41 12.406 -1.731 -26.081 1.00 64.25 H new ATOM 0 HB2 ASP A 41 10.247 -0.116 -27.415 1.00 35.04 H new ATOM 0 HB3 ASP A 41 10.950 0.508 -25.937 1.00 35.04 H new ATOM 691 N ASP A 42 9.972 -2.972 -24.852 1.00 73.14 N ATOM 692 CA ASP A 42 9.199 -3.305 -23.661 1.00 5.31 C ATOM 693 C ASP A 42 9.305 -4.793 -23.343 1.00 31.01 C ATOM 694 O ASP A 42 8.418 -5.585 -23.661 1.00 33.11 O ATOM 695 CB ASP A 42 7.733 -2.914 -23.852 1.00 1.01 C ATOM 696 CG ASP A 42 7.078 -2.473 -22.558 1.00 2.22 C ATOM 697 OD1 ASP A 42 7.066 -3.270 -21.597 1.00 20.44 O ATOM 698 OD2 ASP A 42 6.579 -1.330 -22.506 1.00 14.32 O ATOM 0 H ASP A 42 10.006 -3.712 -25.553 1.00 73.14 H new ATOM 0 HA ASP A 42 9.610 -2.743 -22.822 1.00 5.31 H new ATOM 0 HB2 ASP A 42 7.667 -2.107 -24.582 1.00 1.01 H new ATOM 0 HB3 ASP A 42 7.185 -3.762 -24.263 1.00 1.01 H new ATOM 703 N PRO A 43 10.416 -5.184 -22.701 1.00 71.11 N ATOM 704 CA PRO A 43 10.664 -6.579 -22.327 1.00 21.44 C ATOM 705 C PRO A 43 9.736 -7.055 -21.214 1.00 1.10 C ATOM 706 O PRO A 43 9.714 -8.238 -20.873 1.00 55.20 O ATOM 707 CB PRO A 43 12.116 -6.564 -21.842 1.00 11.31 C ATOM 708 CG PRO A 43 12.350 -5.163 -21.392 1.00 32.05 C ATOM 709 CD PRO A 43 11.515 -4.294 -22.291 1.00 70.00 C ATOM 0 HA PRO A 43 10.485 -7.261 -23.158 1.00 21.44 H new ATOM 0 HB2 PRO A 43 12.269 -7.272 -21.028 1.00 11.31 H new ATOM 0 HB3 PRO A 43 12.803 -6.843 -22.641 1.00 11.31 H new ATOM 0 HG2 PRO A 43 12.062 -5.035 -20.349 1.00 32.05 H new ATOM 0 HG3 PRO A 43 13.405 -4.901 -21.466 1.00 32.05 H new ATOM 0 HD2 PRO A 43 11.144 -3.413 -21.767 1.00 70.00 H new ATOM 0 HD3 PRO A 43 12.085 -3.938 -23.149 1.00 70.00 H new ATOM 717 N LYS A 44 8.971 -6.126 -20.651 1.00 32.11 N ATOM 718 CA LYS A 44 8.039 -6.450 -19.577 1.00 53.24 C ATOM 719 C LYS A 44 6.638 -6.694 -20.129 1.00 34.44 C ATOM 720 O LYS A 44 5.798 -7.303 -19.467 1.00 33.23 O ATOM 721 CB LYS A 44 8.003 -5.319 -18.547 1.00 53.31 C ATOM 722 CG LYS A 44 8.987 -5.505 -17.405 1.00 53.42 C ATOM 723 CD LYS A 44 9.197 -4.212 -16.635 1.00 23.14 C ATOM 724 CE LYS A 44 10.350 -4.332 -15.650 1.00 1.14 C ATOM 725 NZ LYS A 44 11.672 -4.234 -16.328 1.00 70.44 N ATOM 0 H LYS A 44 8.978 -5.142 -20.921 1.00 32.11 H new ATOM 0 HA LYS A 44 8.384 -7.363 -19.092 1.00 53.24 H new ATOM 0 HB2 LYS A 44 8.216 -4.375 -19.049 1.00 53.31 H new ATOM 0 HB3 LYS A 44 6.995 -5.243 -18.138 1.00 53.31 H new ATOM 0 HG2 LYS A 44 8.620 -6.277 -16.729 1.00 53.42 H new ATOM 0 HG3 LYS A 44 9.941 -5.854 -17.799 1.00 53.42 H new ATOM 0 HD2 LYS A 44 9.397 -3.399 -17.334 1.00 23.14 H new ATOM 0 HD3 LYS A 44 8.284 -3.954 -16.099 1.00 23.14 H new ATOM 0 HE2 LYS A 44 10.268 -3.547 -14.898 1.00 1.14 H new ATOM 0 HE3 LYS A 44 10.281 -5.285 -15.125 1.00 1.14 H new ATOM 0 HZ1 LYS A 44 12.431 -4.303 -15.620 1.00 70.44 H new ATOM 0 HZ2 LYS A 44 11.768 -5.008 -17.016 1.00 70.44 H new ATOM 0 HZ3 LYS A 44 11.742 -3.322 -16.822 1.00 70.44 H new ATOM 739 N ALA A 45 6.393 -6.217 -21.345 1.00 4.04 N ATOM 740 CA ALA A 45 5.095 -6.387 -21.986 1.00 24.24 C ATOM 741 C ALA A 45 4.712 -7.861 -22.067 1.00 3.01 C ATOM 742 O ALA A 45 3.542 -8.218 -21.930 1.00 52.44 O ATOM 743 CB ALA A 45 5.107 -5.766 -23.374 1.00 40.53 C ATOM 0 H ALA A 45 7.077 -5.709 -21.906 1.00 4.04 H new ATOM 0 HA ALA A 45 4.347 -5.877 -21.378 1.00 24.24 H new ATOM 0 HB1 ALA A 45 4.131 -5.900 -23.841 1.00 40.53 H new ATOM 0 HB2 ALA A 45 5.328 -4.702 -23.294 1.00 40.53 H new ATOM 0 HB3 ALA A 45 5.870 -6.250 -23.983 1.00 40.53 H new ATOM 749 N LYS A 46 5.706 -8.714 -22.291 1.00 31.22 N ATOM 750 CA LYS A 46 5.474 -10.150 -22.390 1.00 61.30 C ATOM 751 C LYS A 46 4.805 -10.682 -21.126 1.00 62.05 C ATOM 752 O LYS A 46 3.941 -11.555 -21.192 1.00 71.31 O ATOM 753 CB LYS A 46 6.795 -10.886 -22.629 1.00 12.33 C ATOM 754 CG LYS A 46 7.791 -10.731 -21.493 1.00 21.03 C ATOM 755 CD LYS A 46 9.103 -11.433 -21.802 1.00 33.02 C ATOM 756 CE LYS A 46 9.780 -10.835 -23.025 1.00 61.03 C ATOM 757 NZ LYS A 46 9.515 -11.635 -24.253 1.00 20.42 N ATOM 0 H LYS A 46 6.680 -8.435 -22.407 1.00 31.22 H new ATOM 0 HA LYS A 46 4.808 -10.327 -23.235 1.00 61.30 H new ATOM 0 HB2 LYS A 46 6.589 -11.946 -22.778 1.00 12.33 H new ATOM 0 HB3 LYS A 46 7.246 -10.516 -23.550 1.00 12.33 H new ATOM 0 HG2 LYS A 46 7.977 -9.672 -21.313 1.00 21.03 H new ATOM 0 HG3 LYS A 46 7.366 -11.140 -20.577 1.00 21.03 H new ATOM 0 HD2 LYS A 46 9.769 -11.357 -20.942 1.00 33.02 H new ATOM 0 HD3 LYS A 46 8.919 -12.494 -21.969 1.00 33.02 H new ATOM 0 HE2 LYS A 46 9.426 -9.815 -23.173 1.00 61.03 H new ATOM 0 HE3 LYS A 46 10.855 -10.778 -22.854 1.00 61.03 H new ATOM 0 HZ1 LYS A 46 9.438 -10.999 -25.072 1.00 20.42 H new ATOM 0 HZ2 LYS A 46 10.296 -12.304 -24.407 1.00 20.42 H new ATOM 0 HZ3 LYS A 46 8.626 -12.162 -24.139 1.00 20.42 H new ATOM 771 N GLU A 47 5.210 -10.148 -19.978 1.00 64.33 N ATOM 772 CA GLU A 47 4.649 -10.570 -18.700 1.00 54.14 C ATOM 773 C GLU A 47 3.176 -10.182 -18.599 1.00 61.40 C ATOM 774 O GLU A 47 2.361 -10.929 -18.057 1.00 24.33 O ATOM 775 CB GLU A 47 5.432 -9.947 -17.543 1.00 41.22 C ATOM 776 CG GLU A 47 4.923 -10.359 -16.172 1.00 41.41 C ATOM 777 CD GLU A 47 5.452 -11.711 -15.735 1.00 41.04 C ATOM 778 OE1 GLU A 47 6.679 -11.834 -15.540 1.00 42.12 O ATOM 779 OE2 GLU A 47 4.638 -12.647 -15.589 1.00 12.43 O ATOM 0 H GLU A 47 5.924 -9.423 -19.907 1.00 64.33 H new ATOM 0 HA GLU A 47 4.727 -11.655 -18.638 1.00 54.14 H new ATOM 0 HB2 GLU A 47 6.481 -10.229 -17.632 1.00 41.22 H new ATOM 0 HB3 GLU A 47 5.386 -8.861 -17.627 1.00 41.22 H new ATOM 0 HG2 GLU A 47 5.213 -9.606 -15.440 1.00 41.41 H new ATOM 0 HG3 GLU A 47 3.833 -10.387 -16.186 1.00 41.41 H new ATOM 786 N LYS A 48 2.842 -9.009 -19.125 1.00 11.35 N ATOM 787 CA LYS A 48 1.468 -8.520 -19.095 1.00 45.01 C ATOM 788 C LYS A 48 0.586 -9.319 -20.048 1.00 71.42 C ATOM 789 O LYS A 48 -0.586 -9.569 -19.763 1.00 65.43 O ATOM 790 CB LYS A 48 1.425 -7.036 -19.467 1.00 24.03 C ATOM 791 CG LYS A 48 2.429 -6.189 -18.704 1.00 40.42 C ATOM 792 CD LYS A 48 2.060 -6.074 -17.235 1.00 14.22 C ATOM 793 CE LYS A 48 3.292 -5.884 -16.363 1.00 73.24 C ATOM 794 NZ LYS A 48 3.783 -7.176 -15.809 1.00 62.02 N ATOM 0 H LYS A 48 3.504 -8.379 -19.578 1.00 11.35 H new ATOM 0 HA LYS A 48 1.086 -8.646 -18.082 1.00 45.01 H new ATOM 0 HB2 LYS A 48 1.612 -6.932 -20.536 1.00 24.03 H new ATOM 0 HB3 LYS A 48 0.422 -6.652 -19.280 1.00 24.03 H new ATOM 0 HG2 LYS A 48 3.422 -6.628 -18.797 1.00 40.42 H new ATOM 0 HG3 LYS A 48 2.478 -5.194 -19.147 1.00 40.42 H new ATOM 0 HD2 LYS A 48 1.380 -5.233 -17.094 1.00 14.22 H new ATOM 0 HD3 LYS A 48 1.526 -6.971 -16.922 1.00 14.22 H new ATOM 0 HE2 LYS A 48 4.083 -5.416 -16.949 1.00 73.24 H new ATOM 0 HE3 LYS A 48 3.056 -5.204 -15.544 1.00 73.24 H new ATOM 0 HZ1 LYS A 48 4.759 -7.060 -15.470 1.00 62.02 H new ATOM 0 HZ2 LYS A 48 3.175 -7.468 -15.018 1.00 62.02 H new ATOM 0 HZ3 LYS A 48 3.758 -7.904 -16.551 1.00 62.02 H new ATOM 808 N PHE A 49 1.156 -9.719 -21.180 1.00 72.32 N ATOM 809 CA PHE A 49 0.421 -10.491 -22.175 1.00 74.31 C ATOM 810 C PHE A 49 -0.104 -11.792 -21.575 1.00 32.40 C ATOM 811 O PHE A 49 -1.160 -12.288 -21.968 1.00 33.23 O ATOM 812 CB PHE A 49 1.315 -10.796 -23.378 1.00 43.04 C ATOM 813 CG PHE A 49 0.708 -11.772 -24.345 1.00 23.42 C ATOM 814 CD1 PHE A 49 -0.049 -11.327 -25.416 1.00 40.03 C ATOM 815 CD2 PHE A 49 0.895 -13.136 -24.182 1.00 44.43 C ATOM 816 CE1 PHE A 49 -0.609 -12.224 -26.306 1.00 53.55 C ATOM 817 CE2 PHE A 49 0.338 -14.037 -25.070 1.00 11.14 C ATOM 818 CZ PHE A 49 -0.415 -13.580 -26.134 1.00 24.03 C ATOM 0 H PHE A 49 2.125 -9.521 -21.431 1.00 72.32 H new ATOM 0 HA PHE A 49 -0.429 -9.894 -22.505 1.00 74.31 H new ATOM 0 HB2 PHE A 49 1.534 -9.866 -23.903 1.00 43.04 H new ATOM 0 HB3 PHE A 49 2.266 -11.193 -23.022 1.00 43.04 H new ATOM 0 HD1 PHE A 49 -0.203 -10.267 -25.557 1.00 40.03 H new ATOM 0 HD2 PHE A 49 1.483 -13.499 -23.352 1.00 44.43 H new ATOM 0 HE1 PHE A 49 -1.199 -11.864 -27.136 1.00 53.55 H new ATOM 0 HE2 PHE A 49 0.491 -15.097 -24.932 1.00 11.14 H new ATOM 0 HZ PHE A 49 -0.851 -14.282 -26.830 1.00 24.03 H new ATOM 828 N SER A 50 0.642 -12.340 -20.621 1.00 71.41 N ATOM 829 CA SER A 50 0.255 -13.586 -19.969 1.00 62.11 C ATOM 830 C SER A 50 -1.025 -13.401 -19.160 1.00 22.02 C ATOM 831 O SER A 50 -1.840 -14.316 -19.052 1.00 34.23 O ATOM 832 CB SER A 50 1.381 -14.081 -19.059 1.00 12.55 C ATOM 833 OG SER A 50 1.182 -15.434 -18.690 1.00 75.45 O ATOM 0 H SER A 50 1.518 -11.941 -20.282 1.00 71.41 H new ATOM 0 HA SER A 50 0.070 -14.331 -20.743 1.00 62.11 H new ATOM 0 HB2 SER A 50 2.338 -13.977 -19.570 1.00 12.55 H new ATOM 0 HB3 SER A 50 1.429 -13.460 -18.164 1.00 12.55 H new ATOM 0 HG SER A 50 1.916 -15.726 -18.110 1.00 75.45 H new ATOM 839 N GLN A 51 -1.192 -12.210 -18.593 1.00 74.35 N ATOM 840 CA GLN A 51 -2.372 -11.905 -17.793 1.00 54.12 C ATOM 841 C GLN A 51 -3.641 -12.001 -18.635 1.00 23.13 C ATOM 842 O GLN A 51 -4.697 -12.399 -18.142 1.00 22.43 O ATOM 843 CB GLN A 51 -2.254 -10.506 -17.185 1.00 73.23 C ATOM 844 CG GLN A 51 -1.117 -10.372 -16.185 1.00 54.52 C ATOM 845 CD GLN A 51 -1.042 -11.543 -15.226 1.00 71.00 C ATOM 846 OE1 GLN A 51 -1.762 -11.591 -14.228 1.00 50.42 O ATOM 847 NE2 GLN A 51 -0.168 -12.497 -15.524 1.00 4.02 N ATOM 0 H GLN A 51 -0.526 -11.442 -18.673 1.00 74.35 H new ATOM 0 HA GLN A 51 -2.435 -12.639 -16.990 1.00 54.12 H new ATOM 0 HB2 GLN A 51 -2.109 -9.781 -17.986 1.00 73.23 H new ATOM 0 HB3 GLN A 51 -3.192 -10.253 -16.692 1.00 73.23 H new ATOM 0 HG2 GLN A 51 -0.173 -10.287 -16.723 1.00 54.52 H new ATOM 0 HG3 GLN A 51 -1.244 -9.450 -15.617 1.00 54.52 H new ATOM 0 HE21 GLN A 51 0.409 -12.417 -16.361 1.00 4.02 H new ATOM 0 HE22 GLN A 51 -0.073 -13.310 -14.916 1.00 4.02 H new ATOM 856 N LEU A 52 -3.530 -11.634 -19.906 1.00 40.45 N ATOM 857 CA LEU A 52 -4.668 -11.678 -20.818 1.00 35.04 C ATOM 858 C LEU A 52 -5.213 -13.098 -20.940 1.00 43.31 C ATOM 859 O LEU A 52 -6.419 -13.321 -20.842 1.00 22.25 O ATOM 860 CB LEU A 52 -4.264 -11.154 -22.197 1.00 10.14 C ATOM 861 CG LEU A 52 -3.542 -9.806 -22.217 1.00 73.01 C ATOM 862 CD1 LEU A 52 -2.865 -9.584 -23.560 1.00 50.45 C ATOM 863 CD2 LEU A 52 -4.515 -8.676 -21.914 1.00 40.54 C ATOM 0 H LEU A 52 -2.663 -11.302 -20.329 1.00 40.45 H new ATOM 0 HA LEU A 52 -5.453 -11.041 -20.411 1.00 35.04 H new ATOM 0 HB2 LEU A 52 -3.621 -11.895 -22.671 1.00 10.14 H new ATOM 0 HB3 LEU A 52 -5.162 -11.072 -22.810 1.00 10.14 H new ATOM 0 HG LEU A 52 -2.774 -9.814 -21.443 1.00 73.01 H new ATOM 0 HD11 LEU A 52 -2.356 -8.620 -23.556 1.00 50.45 H new ATOM 0 HD12 LEU A 52 -2.138 -10.377 -23.737 1.00 50.45 H new ATOM 0 HD13 LEU A 52 -3.614 -9.596 -24.352 1.00 50.45 H new ATOM 0 HD21 LEU A 52 -3.984 -7.724 -21.932 1.00 40.54 H new ATOM 0 HD22 LEU A 52 -5.305 -8.665 -22.665 1.00 40.54 H new ATOM 0 HD23 LEU A 52 -4.953 -8.828 -20.928 1.00 40.54 H new ATOM 875 N ALA A 53 -4.315 -14.054 -21.154 1.00 3.24 N ATOM 876 CA ALA A 53 -4.704 -15.452 -21.285 1.00 73.21 C ATOM 877 C ALA A 53 -5.218 -16.006 -19.960 1.00 50.24 C ATOM 878 O ALA A 53 -6.093 -16.871 -19.937 1.00 11.41 O ATOM 879 CB ALA A 53 -3.532 -16.282 -21.787 1.00 3.21 C ATOM 0 H ALA A 53 -3.313 -13.885 -21.240 1.00 3.24 H new ATOM 0 HA ALA A 53 -5.514 -15.511 -22.012 1.00 73.21 H new ATOM 0 HB1 ALA A 53 -3.838 -17.324 -21.880 1.00 3.21 H new ATOM 0 HB2 ALA A 53 -3.213 -15.909 -22.760 1.00 3.21 H new ATOM 0 HB3 ALA A 53 -2.705 -16.208 -21.081 1.00 3.21 H new ATOM 885 N GLU A 54 -4.667 -15.502 -18.860 1.00 55.12 N ATOM 886 CA GLU A 54 -5.070 -15.949 -17.532 1.00 12.41 C ATOM 887 C GLU A 54 -6.512 -15.546 -17.236 1.00 51.34 C ATOM 888 O GLU A 54 -7.325 -16.370 -16.819 1.00 60.13 O ATOM 889 CB GLU A 54 -4.138 -15.364 -16.469 1.00 22.44 C ATOM 890 CG GLU A 54 -2.872 -16.178 -16.256 1.00 13.15 C ATOM 891 CD GLU A 54 -3.083 -17.350 -15.317 1.00 13.13 C ATOM 892 OE1 GLU A 54 -4.160 -17.418 -14.687 1.00 23.30 O ATOM 893 OE2 GLU A 54 -2.173 -18.198 -15.211 1.00 40.05 O ATOM 0 H GLU A 54 -3.941 -14.785 -18.862 1.00 55.12 H new ATOM 0 HA GLU A 54 -5.002 -17.037 -17.507 1.00 12.41 H new ATOM 0 HB2 GLU A 54 -3.863 -14.349 -16.757 1.00 22.44 H new ATOM 0 HB3 GLU A 54 -4.677 -15.292 -15.524 1.00 22.44 H new ATOM 0 HG2 GLU A 54 -2.516 -16.547 -17.218 1.00 13.15 H new ATOM 0 HG3 GLU A 54 -2.092 -15.531 -15.854 1.00 13.15 H new ATOM 900 N ALA A 55 -6.821 -14.272 -17.455 1.00 40.32 N ATOM 901 CA ALA A 55 -8.164 -13.759 -17.214 1.00 60.02 C ATOM 902 C ALA A 55 -9.146 -14.278 -18.259 1.00 64.23 C ATOM 903 O ALA A 55 -10.316 -14.518 -17.961 1.00 41.41 O ATOM 904 CB ALA A 55 -8.154 -12.238 -17.206 1.00 55.40 C ATOM 0 H ALA A 55 -6.159 -13.576 -17.799 1.00 40.32 H new ATOM 0 HA ALA A 55 -8.492 -14.115 -16.237 1.00 60.02 H new ATOM 0 HB1 ALA A 55 -9.163 -11.868 -17.025 1.00 55.40 H new ATOM 0 HB2 ALA A 55 -7.491 -11.883 -16.417 1.00 55.40 H new ATOM 0 HB3 ALA A 55 -7.801 -11.871 -18.170 1.00 55.40 H new ATOM 910 N TYR A 56 -8.662 -14.449 -19.485 1.00 31.44 N ATOM 911 CA TYR A 56 -9.498 -14.937 -20.575 1.00 32.30 C ATOM 912 C TYR A 56 -9.805 -16.422 -20.404 1.00 43.01 C ATOM 913 O TYR A 56 -10.828 -16.913 -20.878 1.00 34.52 O ATOM 914 CB TYR A 56 -8.809 -14.699 -21.920 1.00 14.32 C ATOM 915 CG TYR A 56 -9.427 -15.473 -23.062 1.00 70.21 C ATOM 916 CD1 TYR A 56 -10.465 -14.934 -23.812 1.00 31.31 C ATOM 917 CD2 TYR A 56 -8.971 -16.744 -23.392 1.00 55.32 C ATOM 918 CE1 TYR A 56 -11.033 -15.639 -24.856 1.00 3.31 C ATOM 919 CE2 TYR A 56 -9.532 -17.455 -24.436 1.00 11.14 C ATOM 920 CZ TYR A 56 -10.563 -16.898 -25.164 1.00 23.30 C ATOM 921 OH TYR A 56 -11.124 -17.603 -26.204 1.00 55.31 O ATOM 0 H TYR A 56 -7.695 -14.257 -19.748 1.00 31.44 H new ATOM 0 HA TYR A 56 -10.438 -14.385 -20.553 1.00 32.30 H new ATOM 0 HB2 TYR A 56 -8.843 -13.635 -22.153 1.00 14.32 H new ATOM 0 HB3 TYR A 56 -7.757 -14.973 -21.834 1.00 14.32 H new ATOM 0 HD1 TYR A 56 -10.834 -13.947 -23.575 1.00 31.31 H new ATOM 0 HD2 TYR A 56 -8.165 -17.183 -22.823 1.00 55.32 H new ATOM 0 HE1 TYR A 56 -11.841 -15.206 -25.428 1.00 3.31 H new ATOM 0 HE2 TYR A 56 -9.165 -18.441 -24.680 1.00 11.14 H new ATOM 0 HH TYR A 56 -10.677 -18.471 -26.289 1.00 55.31 H new ATOM 931 N GLU A 57 -8.909 -17.130 -19.723 1.00 11.11 N ATOM 932 CA GLU A 57 -9.083 -18.559 -19.489 1.00 53.42 C ATOM 933 C GLU A 57 -10.371 -18.831 -18.717 1.00 52.41 C ATOM 934 O GLU A 57 -11.177 -19.674 -19.110 1.00 33.13 O ATOM 935 CB GLU A 57 -7.886 -19.122 -18.720 1.00 52.05 C ATOM 936 CG GLU A 57 -6.816 -19.723 -19.616 1.00 30.10 C ATOM 937 CD GLU A 57 -5.436 -19.676 -18.989 1.00 12.52 C ATOM 938 OE1 GLU A 57 -4.510 -19.139 -19.631 1.00 41.15 O ATOM 939 OE2 GLU A 57 -5.283 -20.175 -17.854 1.00 74.24 O ATOM 0 H GLU A 57 -8.056 -16.738 -19.324 1.00 11.11 H new ATOM 0 HA GLU A 57 -9.149 -19.054 -20.458 1.00 53.42 H new ATOM 0 HB2 GLU A 57 -7.442 -18.326 -18.122 1.00 52.05 H new ATOM 0 HB3 GLU A 57 -8.237 -19.885 -18.025 1.00 52.05 H new ATOM 0 HG2 GLU A 57 -7.074 -20.758 -19.840 1.00 30.10 H new ATOM 0 HG3 GLU A 57 -6.798 -19.187 -20.565 1.00 30.10 H new ATOM 946 N VAL A 58 -10.557 -18.110 -17.616 1.00 13.13 N ATOM 947 CA VAL A 58 -11.746 -18.272 -16.788 1.00 35.11 C ATOM 948 C VAL A 58 -12.965 -17.634 -17.446 1.00 31.44 C ATOM 949 O VAL A 58 -14.071 -18.172 -17.382 1.00 73.53 O ATOM 950 CB VAL A 58 -11.547 -17.653 -15.392 1.00 13.42 C ATOM 951 CG1 VAL A 58 -12.727 -17.980 -14.489 1.00 50.41 C ATOM 952 CG2 VAL A 58 -10.244 -18.137 -14.776 1.00 25.04 C ATOM 0 H VAL A 58 -9.899 -17.408 -17.277 1.00 13.13 H new ATOM 0 HA VAL A 58 -11.913 -19.344 -16.681 1.00 35.11 H new ATOM 0 HB VAL A 58 -11.492 -16.570 -15.499 1.00 13.42 H new ATOM 0 HG11 VAL A 58 -12.568 -17.534 -13.507 1.00 50.41 H new ATOM 0 HG12 VAL A 58 -13.642 -17.579 -14.926 1.00 50.41 H new ATOM 0 HG13 VAL A 58 -12.818 -19.061 -14.386 1.00 50.41 H new ATOM 0 HG21 VAL A 58 -10.120 -17.690 -13.790 1.00 25.04 H new ATOM 0 HG22 VAL A 58 -10.267 -19.223 -14.682 1.00 25.04 H new ATOM 0 HG23 VAL A 58 -9.410 -17.846 -15.414 1.00 25.04 H new ATOM 962 N LEU A 59 -12.756 -16.485 -18.078 1.00 5.14 N ATOM 963 CA LEU A 59 -13.837 -15.773 -18.749 1.00 13.42 C ATOM 964 C LEU A 59 -14.230 -16.475 -20.045 1.00 1.23 C ATOM 965 O LEU A 59 -15.216 -16.111 -20.685 1.00 35.50 O ATOM 966 CB LEU A 59 -13.419 -14.331 -19.043 1.00 55.20 C ATOM 967 CG LEU A 59 -13.922 -13.273 -18.060 1.00 43.41 C ATOM 968 CD1 LEU A 59 -13.586 -13.670 -16.631 1.00 13.41 C ATOM 969 CD2 LEU A 59 -13.326 -11.912 -18.391 1.00 55.23 C ATOM 0 H LEU A 59 -11.847 -16.026 -18.140 1.00 5.14 H new ATOM 0 HA LEU A 59 -14.701 -15.766 -18.085 1.00 13.42 H new ATOM 0 HB2 LEU A 59 -12.330 -14.287 -19.067 1.00 55.20 H new ATOM 0 HB3 LEU A 59 -13.771 -14.068 -20.041 1.00 55.20 H new ATOM 0 HG LEU A 59 -15.006 -13.205 -18.151 1.00 43.41 H new ATOM 0 HD11 LEU A 59 -13.951 -12.905 -15.945 1.00 13.41 H new ATOM 0 HD12 LEU A 59 -14.060 -14.623 -16.397 1.00 13.41 H new ATOM 0 HD13 LEU A 59 -12.505 -13.766 -16.525 1.00 13.41 H new ATOM 0 HD21 LEU A 59 -13.695 -11.171 -17.682 1.00 55.23 H new ATOM 0 HD22 LEU A 59 -12.239 -11.966 -18.328 1.00 55.23 H new ATOM 0 HD23 LEU A 59 -13.617 -11.623 -19.401 1.00 55.23 H new ATOM 981 N SER A 60 -13.452 -17.484 -20.424 1.00 52.32 N ATOM 982 CA SER A 60 -13.718 -18.236 -21.645 1.00 23.44 C ATOM 983 C SER A 60 -14.922 -19.155 -21.465 1.00 31.41 C ATOM 984 O SER A 60 -15.510 -19.625 -22.440 1.00 2.43 O ATOM 985 CB SER A 60 -12.489 -19.058 -22.040 1.00 32.25 C ATOM 986 OG SER A 60 -12.800 -19.974 -23.075 1.00 63.13 O ATOM 0 H SER A 60 -12.633 -17.799 -19.904 1.00 52.32 H new ATOM 0 HA SER A 60 -13.942 -17.524 -22.440 1.00 23.44 H new ATOM 0 HB2 SER A 60 -11.691 -18.391 -22.368 1.00 32.25 H new ATOM 0 HB3 SER A 60 -12.115 -19.599 -21.171 1.00 32.25 H new ATOM 0 HG SER A 60 -11.998 -20.486 -23.311 1.00 63.13 H new ATOM 992 N ASP A 61 -15.284 -19.408 -20.212 1.00 4.02 N ATOM 993 CA ASP A 61 -16.418 -20.270 -19.902 1.00 55.14 C ATOM 994 C ASP A 61 -17.324 -19.623 -18.859 1.00 3.22 C ATOM 995 O ASP A 61 -16.846 -19.009 -17.905 1.00 55.12 O ATOM 996 CB ASP A 61 -15.931 -21.630 -19.400 1.00 53.11 C ATOM 997 CG ASP A 61 -16.880 -22.755 -19.763 1.00 71.14 C ATOM 998 OD1 ASP A 61 -16.894 -23.161 -20.944 1.00 51.22 O ATOM 999 OD2 ASP A 61 -17.609 -23.230 -18.867 1.00 54.52 O ATOM 0 H ASP A 61 -14.808 -19.028 -19.394 1.00 4.02 H new ATOM 0 HA ASP A 61 -16.993 -20.414 -20.817 1.00 55.14 H new ATOM 0 HB2 ASP A 61 -14.947 -21.838 -19.821 1.00 53.11 H new ATOM 0 HB3 ASP A 61 -15.813 -21.593 -18.317 1.00 53.11 H new ATOM 1004 N GLU A 62 -18.632 -19.764 -19.048 1.00 21.30 N ATOM 1005 CA GLU A 62 -19.603 -19.191 -18.123 1.00 72.54 C ATOM 1006 C GLU A 62 -19.446 -19.791 -16.729 1.00 0.21 C ATOM 1007 O GLU A 62 -19.514 -19.082 -15.725 1.00 2.41 O ATOM 1008 CB GLU A 62 -21.026 -19.426 -18.634 1.00 34.11 C ATOM 1009 CG GLU A 62 -21.335 -20.884 -18.928 1.00 62.51 C ATOM 1010 CD GLU A 62 -22.723 -21.082 -19.504 1.00 74.43 C ATOM 1011 OE1 GLU A 62 -23.274 -20.116 -20.072 1.00 33.15 O ATOM 1012 OE2 GLU A 62 -23.259 -22.205 -19.388 1.00 1.33 O ATOM 0 H GLU A 62 -19.044 -20.270 -19.832 1.00 21.30 H new ATOM 0 HA GLU A 62 -19.419 -18.118 -18.061 1.00 72.54 H new ATOM 0 HB2 GLU A 62 -21.735 -19.056 -17.893 1.00 34.11 H new ATOM 0 HB3 GLU A 62 -21.178 -18.841 -19.541 1.00 34.11 H new ATOM 0 HG2 GLU A 62 -20.596 -21.274 -19.628 1.00 62.51 H new ATOM 0 HG3 GLU A 62 -21.241 -21.464 -18.010 1.00 62.51 H new ATOM 1019 N VAL A 63 -19.236 -21.102 -16.675 1.00 71.30 N ATOM 1020 CA VAL A 63 -19.069 -21.798 -15.405 1.00 23.22 C ATOM 1021 C VAL A 63 -17.879 -21.246 -14.628 1.00 41.41 C ATOM 1022 O VAL A 63 -18.009 -20.850 -13.469 1.00 61.53 O ATOM 1023 CB VAL A 63 -18.872 -23.311 -15.615 1.00 73.34 C ATOM 1024 CG1 VAL A 63 -18.905 -24.045 -14.283 1.00 40.32 C ATOM 1025 CG2 VAL A 63 -19.931 -23.859 -16.561 1.00 3.11 C ATOM 0 H VAL A 63 -19.177 -21.704 -17.496 1.00 71.30 H new ATOM 0 HA VAL A 63 -19.982 -21.634 -14.832 1.00 23.22 H new ATOM 0 HB VAL A 63 -17.893 -23.473 -16.067 1.00 73.34 H new ATOM 0 HG11 VAL A 63 -18.764 -25.113 -14.452 1.00 40.32 H new ATOM 0 HG12 VAL A 63 -18.107 -23.671 -13.642 1.00 40.32 H new ATOM 0 HG13 VAL A 63 -19.868 -23.878 -13.799 1.00 40.32 H new ATOM 0 HG21 VAL A 63 -19.777 -24.929 -16.699 1.00 3.11 H new ATOM 0 HG22 VAL A 63 -20.921 -23.686 -16.139 1.00 3.11 H new ATOM 0 HG23 VAL A 63 -19.854 -23.355 -17.524 1.00 3.11 H new ATOM 1035 N LYS A 64 -16.718 -21.220 -15.274 1.00 71.20 N ATOM 1036 CA LYS A 64 -15.503 -20.714 -14.646 1.00 34.31 C ATOM 1037 C LYS A 64 -15.640 -19.232 -14.313 1.00 21.14 C ATOM 1038 O LYS A 64 -15.315 -18.803 -13.206 1.00 5.24 O ATOM 1039 CB LYS A 64 -14.300 -20.932 -15.566 1.00 31.30 C ATOM 1040 CG LYS A 64 -13.988 -22.396 -15.823 1.00 74.42 C ATOM 1041 CD LYS A 64 -12.660 -22.566 -16.541 1.00 22.03 C ATOM 1042 CE LYS A 64 -12.698 -21.960 -17.935 1.00 72.24 C ATOM 1043 NZ LYS A 64 -11.553 -22.417 -18.770 1.00 44.32 N ATOM 0 H LYS A 64 -16.593 -21.544 -16.233 1.00 71.20 H new ATOM 0 HA LYS A 64 -15.347 -21.264 -13.718 1.00 34.31 H new ATOM 0 HB2 LYS A 64 -14.487 -20.436 -16.519 1.00 31.30 H new ATOM 0 HB3 LYS A 64 -13.425 -20.455 -15.125 1.00 31.30 H new ATOM 0 HG2 LYS A 64 -13.962 -22.935 -14.876 1.00 74.42 H new ATOM 0 HG3 LYS A 64 -14.785 -22.839 -16.420 1.00 74.42 H new ATOM 0 HD2 LYS A 64 -11.868 -22.094 -15.960 1.00 22.03 H new ATOM 0 HD3 LYS A 64 -12.416 -23.626 -16.611 1.00 22.03 H new ATOM 0 HE2 LYS A 64 -13.634 -22.231 -18.423 1.00 72.24 H new ATOM 0 HE3 LYS A 64 -12.681 -20.873 -17.859 1.00 72.24 H new ATOM 0 HZ1 LYS A 64 -11.048 -21.591 -19.149 1.00 44.32 H new ATOM 0 HZ2 LYS A 64 -10.903 -22.983 -18.188 1.00 44.32 H new ATOM 0 HZ3 LYS A 64 -11.907 -22.997 -19.557 1.00 44.32 H new ATOM 1057 N ARG A 65 -16.124 -18.456 -15.276 1.00 51.43 N ATOM 1058 CA ARG A 65 -16.304 -17.022 -15.084 1.00 42.43 C ATOM 1059 C ARG A 65 -17.213 -16.743 -13.891 1.00 55.34 C ATOM 1060 O ARG A 65 -16.957 -15.835 -13.100 1.00 30.33 O ATOM 1061 CB ARG A 65 -16.890 -16.386 -16.346 1.00 72.02 C ATOM 1062 CG ARG A 65 -17.027 -14.875 -16.260 1.00 2.32 C ATOM 1063 CD ARG A 65 -18.049 -14.350 -17.255 1.00 54.05 C ATOM 1064 NE ARG A 65 -18.651 -13.095 -16.812 1.00 71.31 N ATOM 1065 CZ ARG A 65 -19.469 -13.000 -15.770 1.00 23.45 C ATOM 1066 NH1 ARG A 65 -19.780 -14.081 -15.066 1.00 50.55 N ATOM 1067 NH2 ARG A 65 -19.976 -11.823 -15.428 1.00 14.11 N ATOM 0 H ARG A 65 -16.399 -18.796 -16.198 1.00 51.43 H new ATOM 0 HA ARG A 65 -15.327 -16.582 -14.885 1.00 42.43 H new ATOM 0 HB2 ARG A 65 -16.256 -16.637 -17.197 1.00 72.02 H new ATOM 0 HB3 ARG A 65 -17.871 -16.821 -16.540 1.00 72.02 H new ATOM 0 HG2 ARG A 65 -17.323 -14.593 -15.250 1.00 2.32 H new ATOM 0 HG3 ARG A 65 -16.060 -14.410 -16.451 1.00 2.32 H new ATOM 0 HD2 ARG A 65 -17.569 -14.200 -18.222 1.00 54.05 H new ATOM 0 HD3 ARG A 65 -18.831 -15.096 -17.399 1.00 54.05 H new ATOM 0 HE ARG A 65 -18.431 -12.245 -17.331 1.00 71.31 H new ATOM 0 HH11 ARG A 65 -19.391 -14.988 -15.325 1.00 50.55 H new ATOM 0 HH12 ARG A 65 -20.408 -14.005 -14.266 1.00 50.55 H new ATOM 0 HH21 ARG A 65 -19.738 -10.989 -15.965 1.00 14.11 H new ATOM 0 HH22 ARG A 65 -20.604 -11.751 -14.628 1.00 14.11 H new ATOM 1081 N LYS A 66 -18.278 -17.529 -13.769 1.00 42.42 N ATOM 1082 CA LYS A 66 -19.226 -17.368 -12.673 1.00 72.04 C ATOM 1083 C LYS A 66 -18.587 -17.746 -11.341 1.00 11.31 C ATOM 1084 O LYS A 66 -18.782 -17.065 -10.334 1.00 51.14 O ATOM 1085 CB LYS A 66 -20.469 -18.228 -12.917 1.00 3.40 C ATOM 1086 CG LYS A 66 -21.432 -17.631 -13.928 1.00 74.12 C ATOM 1087 CD LYS A 66 -21.987 -16.299 -13.451 1.00 74.42 C ATOM 1088 CE LYS A 66 -23.094 -15.797 -14.366 1.00 32.23 C ATOM 1089 NZ LYS A 66 -24.245 -16.741 -14.414 1.00 62.31 N ATOM 0 H LYS A 66 -18.506 -18.284 -14.416 1.00 42.42 H new ATOM 0 HA LYS A 66 -19.519 -16.319 -12.630 1.00 72.04 H new ATOM 0 HB2 LYS A 66 -20.157 -19.213 -13.263 1.00 3.40 H new ATOM 0 HB3 LYS A 66 -20.992 -18.373 -11.972 1.00 3.40 H new ATOM 0 HG2 LYS A 66 -20.921 -17.493 -14.881 1.00 74.12 H new ATOM 0 HG3 LYS A 66 -22.253 -18.326 -14.104 1.00 74.12 H new ATOM 0 HD2 LYS A 66 -22.372 -16.406 -12.437 1.00 74.42 H new ATOM 0 HD3 LYS A 66 -21.184 -15.562 -13.411 1.00 74.42 H new ATOM 0 HE2 LYS A 66 -23.438 -14.823 -14.019 1.00 32.23 H new ATOM 0 HE3 LYS A 66 -22.698 -15.656 -15.372 1.00 32.23 H new ATOM 0 HZ1 LYS A 66 -25.087 -16.244 -14.768 1.00 62.31 H new ATOM 0 HZ2 LYS A 66 -24.018 -17.533 -15.049 1.00 62.31 H new ATOM 0 HZ3 LYS A 66 -24.434 -17.106 -13.459 1.00 62.31 H new ATOM 1103 N GLN A 67 -17.823 -18.833 -11.343 1.00 70.24 N ATOM 1104 CA GLN A 67 -17.155 -19.300 -10.134 1.00 50.41 C ATOM 1105 C GLN A 67 -16.223 -18.227 -9.579 1.00 32.50 C ATOM 1106 O GLN A 67 -16.259 -17.915 -8.388 1.00 72.54 O ATOM 1107 CB GLN A 67 -16.366 -20.578 -10.423 1.00 33.14 C ATOM 1108 CG GLN A 67 -17.236 -21.821 -10.518 1.00 71.13 C ATOM 1109 CD GLN A 67 -18.019 -22.085 -9.247 1.00 53.44 C ATOM 1110 OE1 GLN A 67 -17.509 -22.691 -8.305 1.00 13.44 O ATOM 1111 NE2 GLN A 67 -19.266 -21.629 -9.215 1.00 33.40 N ATOM 0 H GLN A 67 -17.651 -19.407 -12.168 1.00 70.24 H new ATOM 0 HA GLN A 67 -17.919 -19.515 -9.387 1.00 50.41 H new ATOM 0 HB2 GLN A 67 -15.820 -20.454 -11.358 1.00 33.14 H new ATOM 0 HB3 GLN A 67 -15.624 -20.723 -9.637 1.00 33.14 H new ATOM 0 HG2 GLN A 67 -17.930 -21.711 -11.351 1.00 71.13 H new ATOM 0 HG3 GLN A 67 -16.607 -22.684 -10.738 1.00 71.13 H new ATOM 0 HE21 GLN A 67 -19.648 -21.132 -10.019 1.00 33.40 H new ATOM 0 HE22 GLN A 67 -19.842 -21.776 -8.386 1.00 33.40 H new ATOM 1120 N TYR A 68 -15.390 -17.667 -10.448 1.00 63.54 N ATOM 1121 CA TYR A 68 -14.446 -16.632 -10.044 1.00 40.04 C ATOM 1122 C TYR A 68 -15.165 -15.312 -9.783 1.00 44.21 C ATOM 1123 O TYR A 68 -14.723 -14.502 -8.968 1.00 22.34 O ATOM 1124 CB TYR A 68 -13.377 -16.439 -11.121 1.00 4.00 C ATOM 1125 CG TYR A 68 -12.174 -17.339 -10.948 1.00 2.32 C ATOM 1126 CD1 TYR A 68 -12.190 -18.650 -11.409 1.00 13.53 C ATOM 1127 CD2 TYR A 68 -11.021 -16.879 -10.323 1.00 15.33 C ATOM 1128 CE1 TYR A 68 -11.094 -19.476 -11.252 1.00 51.42 C ATOM 1129 CE2 TYR A 68 -9.920 -17.697 -10.163 1.00 71.12 C ATOM 1130 CZ TYR A 68 -9.961 -18.995 -10.629 1.00 53.43 C ATOM 1131 OH TYR A 68 -8.867 -19.813 -10.471 1.00 62.51 O ATOM 0 H TYR A 68 -15.349 -17.912 -11.437 1.00 63.54 H new ATOM 0 HA TYR A 68 -13.967 -16.953 -9.119 1.00 40.04 H new ATOM 0 HB2 TYR A 68 -13.821 -16.624 -12.099 1.00 4.00 H new ATOM 0 HB3 TYR A 68 -13.047 -15.400 -11.112 1.00 4.00 H new ATOM 0 HD1 TYR A 68 -13.075 -19.030 -11.899 1.00 13.53 H new ATOM 0 HD2 TYR A 68 -10.985 -15.864 -9.956 1.00 15.33 H new ATOM 0 HE1 TYR A 68 -11.124 -20.493 -11.615 1.00 51.42 H new ATOM 0 HE2 TYR A 68 -9.032 -17.323 -9.676 1.00 71.12 H new ATOM 0 HH TYR A 68 -8.153 -19.320 -10.014 1.00 62.51 H new ATOM 1141 N ASP A 69 -16.275 -15.102 -10.481 1.00 74.51 N ATOM 1142 CA ASP A 69 -17.058 -13.882 -10.325 1.00 10.13 C ATOM 1143 C ASP A 69 -17.698 -13.820 -8.941 1.00 72.44 C ATOM 1144 O ASP A 69 -17.982 -12.740 -8.426 1.00 11.24 O ATOM 1145 CB ASP A 69 -18.138 -13.802 -11.404 1.00 54.44 C ATOM 1146 CG ASP A 69 -19.187 -12.750 -11.097 1.00 64.33 C ATOM 1147 OD1 ASP A 69 -20.391 -13.079 -11.151 1.00 5.11 O ATOM 1148 OD2 ASP A 69 -18.803 -11.599 -10.803 1.00 32.13 O ATOM 0 H ASP A 69 -16.653 -15.761 -11.161 1.00 74.51 H new ATOM 0 HA ASP A 69 -16.385 -13.032 -10.433 1.00 10.13 H new ATOM 0 HB2 ASP A 69 -17.673 -13.578 -12.364 1.00 54.44 H new ATOM 0 HB3 ASP A 69 -18.621 -14.774 -11.503 1.00 54.44 H new ATOM 1153 N ALA A 70 -17.924 -14.987 -8.347 1.00 24.42 N ATOM 1154 CA ALA A 70 -18.529 -15.066 -7.023 1.00 73.14 C ATOM 1155 C ALA A 70 -17.692 -14.319 -5.991 1.00 24.31 C ATOM 1156 O ALA A 70 -18.229 -13.676 -5.089 1.00 40.44 O ATOM 1157 CB ALA A 70 -18.707 -16.520 -6.610 1.00 54.50 C ATOM 0 H ALA A 70 -17.697 -15.891 -8.762 1.00 24.42 H new ATOM 0 HA ALA A 70 -19.509 -14.591 -7.069 1.00 73.14 H new ATOM 0 HB1 ALA A 70 -19.160 -16.564 -5.619 1.00 54.50 H new ATOM 0 HB2 ALA A 70 -19.354 -17.025 -7.327 1.00 54.50 H new ATOM 0 HB3 ALA A 70 -17.735 -17.013 -6.587 1.00 54.50 H new ATOM 1163 N TYR A 71 -16.374 -14.410 -6.128 1.00 65.01 N ATOM 1164 CA TYR A 71 -15.461 -13.745 -5.205 1.00 35.31 C ATOM 1165 C TYR A 71 -14.912 -12.459 -5.814 1.00 1.12 C ATOM 1166 O TYR A 71 -13.815 -12.017 -5.475 1.00 23.41 O ATOM 1167 CB TYR A 71 -14.309 -14.679 -4.833 1.00 21.45 C ATOM 1168 CG TYR A 71 -14.763 -16.000 -4.252 1.00 41.23 C ATOM 1169 CD1 TYR A 71 -15.021 -16.132 -2.893 1.00 40.43 C ATOM 1170 CD2 TYR A 71 -14.933 -17.116 -5.062 1.00 41.45 C ATOM 1171 CE1 TYR A 71 -15.435 -17.336 -2.358 1.00 73.15 C ATOM 1172 CE2 TYR A 71 -15.348 -18.324 -4.537 1.00 12.54 C ATOM 1173 CZ TYR A 71 -15.598 -18.429 -3.184 1.00 40.12 C ATOM 1174 OH TYR A 71 -16.011 -19.631 -2.656 1.00 45.13 O ATOM 0 H TYR A 71 -15.913 -14.938 -6.869 1.00 65.01 H new ATOM 0 HA TYR A 71 -16.018 -13.490 -4.304 1.00 35.31 H new ATOM 0 HB2 TYR A 71 -13.706 -14.870 -5.721 1.00 21.45 H new ATOM 0 HB3 TYR A 71 -13.664 -14.177 -4.112 1.00 21.45 H new ATOM 0 HD1 TYR A 71 -14.896 -15.278 -2.244 1.00 40.43 H new ATOM 0 HD2 TYR A 71 -14.737 -17.037 -6.121 1.00 41.45 H new ATOM 0 HE1 TYR A 71 -15.630 -17.421 -1.299 1.00 73.15 H new ATOM 0 HE2 TYR A 71 -15.476 -19.181 -5.181 1.00 12.54 H new ATOM 0 HH TYR A 71 -16.077 -20.297 -3.372 1.00 45.13 H new ATOM 1184 N GLY A 72 -15.685 -11.861 -6.716 1.00 22.23 N ATOM 1185 CA GLY A 72 -15.260 -10.631 -7.358 1.00 33.01 C ATOM 1186 C GLY A 72 -15.043 -9.505 -6.367 1.00 41.30 C ATOM 1187 O GLY A 72 -15.324 -9.652 -5.178 1.00 32.32 O ATOM 0 H GLY A 72 -16.598 -12.207 -7.013 1.00 22.23 H new ATOM 0 HA2 GLY A 72 -14.335 -10.812 -7.906 1.00 33.01 H new ATOM 0 HA3 GLY A 72 -16.010 -10.328 -8.089 1.00 33.01 H new ATOM 1191 N SER A 73 -14.539 -8.376 -6.857 1.00 72.50 N ATOM 1192 CA SER A 73 -14.279 -7.222 -6.005 1.00 22.21 C ATOM 1193 C SER A 73 -15.530 -6.362 -5.858 1.00 34.23 C ATOM 1194 O SER A 73 -15.620 -5.276 -6.428 1.00 61.44 O ATOM 1195 CB SER A 73 -13.135 -6.384 -6.580 1.00 74.45 C ATOM 1196 OG SER A 73 -12.513 -5.609 -5.571 1.00 10.22 O ATOM 0 H SER A 73 -14.303 -8.237 -7.839 1.00 72.50 H new ATOM 0 HA SER A 73 -13.992 -7.587 -5.019 1.00 22.21 H new ATOM 0 HB2 SER A 73 -12.399 -7.039 -7.045 1.00 74.45 H new ATOM 0 HB3 SER A 73 -13.518 -5.728 -7.362 1.00 74.45 H new ATOM 0 HG SER A 73 -11.785 -5.084 -5.964 1.00 10.22 H new TER 1202 SER A 73