USER MOD reduce.3.24.130724 H: found=0, std=0, add=1339, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1339 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 4 SER OG : rot 37:sc= 0.102 USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= -1.09 K(o=-1.1,f=-1.9!) USER MOD Single : A 15 MET CE :methyl 157:sc= -0.346 (180deg=-0.728) USER MOD Single : A 18 LYS NZ :NH3+ -168:sc=-0.000518 (180deg=-0.12) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 148:sc= -0.188 (180deg=-0.953) USER MOD Single : A 33 LYS NZ :NH3+ -161:sc= -0.0312 (180deg=-0.433) USER MOD Single : A 41 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0531) USER MOD Single : A 43 TYR OH : rot 150:sc= -0.0631 USER MOD Single : A 48 GLN : amide:sc= -0.248 X(o=-0.25,f=-0.24) USER MOD Single : A 53 LYS NZ :NH3+ -124:sc= -1.38 (180deg=-3.81!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 135:sc= -0.0801 (180deg=-0.618) USER MOD Single : A 66 THR OG1 : rot 96:sc= 0.813 USER MOD Single : A 67 CYS SG : rot -59:sc= 0.626 USER MOD Single : A 70 ASN : amide:sc= -0.87 K(o=-0.87,f=-0.026) USER MOD Single : A 72 LYS NZ :NH3+ 163:sc=-0.00523 (180deg=-0.119) USER MOD Single : A 73 GLN : amide:sc= -0.198 K(o=-0.2,f=-6.1!) USER MOD Single : A 74 SER OG : rot -54:sc= 0.534 USER MOD Single : A 77 CYS SG : rot 8:sc= -1.1 USER MOD Single : A 80 CYS SG : rot -130:sc= -0.324 USER MOD Single : A 85 CYS SG : rot 180:sc= -0.0145 USER MOD Single : B 4 SER OG : rot 37:sc= 0.109 USER MOD Single : B 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 HIS : no HD1:sc= -1.14 K(o=-1.1,f=-1.9!) USER MOD Single : B 15 MET CE :methyl 149:sc= -0.349 (180deg=-0.724) USER MOD Single : B 18 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.108) USER MOD Single : B 22 SER OG : rot 180:sc= 0 USER MOD Single : B 32 LYS NZ :NH3+ 146:sc= -0.171 (180deg=-0.955) USER MOD Single : B 33 LYS NZ :NH3+ -161:sc= -0.0537 (180deg=-0.437) USER MOD Single : B 41 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0637) USER MOD Single : B 43 TYR OH : rot 150:sc= -0.0768 USER MOD Single : B 48 GLN : amide:sc= -0.235 X(o=-0.23,f=-0.23) USER MOD Single : B 53 LYS NZ :NH3+ -125:sc= -1.41 (180deg=-3.77!) USER MOD Single : B 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 64 LYS NZ :NH3+ 158:sc= -0.083 (180deg=-0.584) USER MOD Single : B 66 THR OG1 : rot 101:sc= 0.859 USER MOD Single : B 67 CYS SG : rot -60:sc= 0.753 USER MOD Single : B 70 ASN : amide:sc= -0.806 K(o=-0.81,f=-0.0024) USER MOD Single : B 72 LYS NZ :NH3+ 164:sc=-0.000674 (180deg=-0.117) USER MOD Single : B 73 GLN : amide:sc= -0.18 K(o=-0.18,f=-6!) USER MOD Single : B 74 SER OG : rot -54:sc= 0.493 USER MOD Single : B 77 CYS SG : rot 5:sc= -1.11 USER MOD Single : B 80 CYS SG : rot -130:sc= -0.345 USER MOD Single : B 85 CYS SG : rot 180:sc= -0.0256 USER MOD ----------------------------------------------------------------- ATOM 48 N SER A 4 121.552 -10.796 4.691 1.00 0.63 N ATOM 49 CA SER A 4 121.366 -11.954 3.763 1.00 0.61 C ATOM 50 C SER A 4 122.648 -12.790 3.740 1.00 0.60 C ATOM 51 O SER A 4 123.626 -12.474 4.386 1.00 0.57 O ATOM 52 CB SER A 4 121.072 -11.441 2.351 1.00 0.63 C ATOM 53 OG SER A 4 119.902 -10.635 2.374 1.00 1.51 O ATOM 0 HA SER A 4 120.531 -12.565 4.107 1.00 0.61 H new ATOM 0 HB2 SER A 4 121.918 -10.863 1.979 1.00 0.63 H new ATOM 0 HB3 SER A 4 120.935 -12.280 1.669 1.00 0.63 H new ATOM 0 HG SER A 4 119.880 -10.113 3.203 1.00 1.51 H new ATOM 59 N GLN A 5 122.629 -13.871 3.005 1.00 0.63 N ATOM 60 CA GLN A 5 123.821 -14.765 2.932 1.00 0.64 C ATOM 61 C GLN A 5 125.019 -14.020 2.337 1.00 0.60 C ATOM 62 O GLN A 5 126.156 -14.394 2.546 1.00 0.59 O ATOM 63 CB GLN A 5 123.488 -15.973 2.055 1.00 0.71 C ATOM 64 CG GLN A 5 123.240 -15.511 0.618 1.00 1.34 C ATOM 65 CD GLN A 5 122.677 -16.673 -0.201 1.00 1.60 C ATOM 66 OE1 GLN A 5 121.537 -17.057 -0.031 1.00 2.09 O ATOM 67 NE2 GLN A 5 123.436 -17.259 -1.086 1.00 2.18 N ATOM 0 H GLN A 5 121.831 -14.175 2.447 1.00 0.63 H new ATOM 0 HA GLN A 5 124.079 -15.092 3.939 1.00 0.64 H new ATOM 0 HB2 GLN A 5 124.308 -16.691 2.081 1.00 0.71 H new ATOM 0 HB3 GLN A 5 122.606 -16.483 2.441 1.00 0.71 H new ATOM 0 HG2 GLN A 5 122.542 -14.674 0.609 1.00 1.34 H new ATOM 0 HG3 GLN A 5 124.170 -15.155 0.173 1.00 1.34 H new ATOM 0 HE21 GLN A 5 124.393 -16.938 -1.230 1.00 2.18 H new ATOM 0 HE22 GLN A 5 123.072 -18.038 -1.634 1.00 2.18 H new ATOM 76 N LYS A 6 124.778 -12.976 1.594 1.00 0.59 N ATOM 77 CA LYS A 6 125.909 -12.217 0.987 1.00 0.57 C ATOM 78 C LYS A 6 126.791 -11.659 2.105 1.00 0.51 C ATOM 79 O LYS A 6 128.002 -11.632 2.003 1.00 0.50 O ATOM 80 CB LYS A 6 125.351 -11.059 0.150 1.00 0.58 C ATOM 81 CG LYS A 6 124.657 -11.607 -1.100 1.00 0.65 C ATOM 82 CD LYS A 6 124.107 -10.441 -1.927 1.00 0.81 C ATOM 83 CE LYS A 6 123.410 -10.977 -3.181 1.00 1.26 C ATOM 84 NZ LYS A 6 123.132 -9.844 -4.114 1.00 2.02 N ATOM 0 H LYS A 6 123.848 -12.615 1.380 1.00 0.59 H new ATOM 0 HA LYS A 6 126.497 -12.876 0.348 1.00 0.57 H new ATOM 0 HB2 LYS A 6 124.645 -10.477 0.743 1.00 0.58 H new ATOM 0 HB3 LYS A 6 126.158 -10.385 -0.137 1.00 0.58 H new ATOM 0 HG2 LYS A 6 125.361 -12.189 -1.695 1.00 0.65 H new ATOM 0 HG3 LYS A 6 123.848 -12.279 -0.815 1.00 0.65 H new ATOM 0 HD2 LYS A 6 123.405 -9.859 -1.330 1.00 0.81 H new ATOM 0 HD3 LYS A 6 124.918 -9.769 -2.209 1.00 0.81 H new ATOM 0 HE2 LYS A 6 124.039 -11.721 -3.671 1.00 1.26 H new ATOM 0 HE3 LYS A 6 122.480 -11.476 -2.909 1.00 1.26 H new ATOM 0 HZ1 LYS A 6 122.659 -10.205 -4.967 1.00 2.02 H new ATOM 0 HZ2 LYS A 6 122.517 -9.150 -3.644 1.00 2.02 H new ATOM 0 HZ3 LYS A 6 124.027 -9.387 -4.382 1.00 2.02 H new ATOM 98 N HIS A 7 126.191 -11.200 3.165 1.00 0.49 N ATOM 99 CA HIS A 7 126.984 -10.623 4.287 1.00 0.45 C ATOM 100 C HIS A 7 127.947 -11.663 4.863 1.00 0.45 C ATOM 101 O HIS A 7 129.122 -11.398 5.024 1.00 0.43 O ATOM 102 CB HIS A 7 126.011 -10.140 5.370 1.00 0.45 C ATOM 103 CG HIS A 7 126.733 -9.858 6.667 1.00 0.42 C ATOM 104 ND1 HIS A 7 127.047 -8.569 7.080 1.00 0.38 N ATOM 105 CD2 HIS A 7 127.177 -10.690 7.667 1.00 0.45 C ATOM 106 CE1 HIS A 7 127.646 -8.665 8.283 1.00 0.38 C ATOM 107 NE2 HIS A 7 127.749 -9.932 8.681 1.00 0.42 N ATOM 0 H HIS A 7 125.181 -11.199 3.305 1.00 0.49 H new ATOM 0 HA HIS A 7 127.581 -9.787 3.921 1.00 0.45 H new ATOM 0 HB2 HIS A 7 125.503 -9.238 5.030 1.00 0.45 H new ATOM 0 HB3 HIS A 7 125.243 -10.895 5.535 1.00 0.45 H new ATOM 0 HD2 HIS A 7 127.094 -11.767 7.665 1.00 0.45 H new ATOM 0 HE1 HIS A 7 127.999 -7.819 8.854 1.00 0.38 H new ATOM 0 HE2 HIS A 7 128.162 -10.274 9.549 1.00 0.42 H new ATOM 115 N ARG A 8 127.470 -12.843 5.184 1.00 0.48 N ATOM 116 CA ARG A 8 128.363 -13.892 5.754 1.00 0.50 C ATOM 117 C ARG A 8 129.324 -14.394 4.680 1.00 0.51 C ATOM 118 O ARG A 8 130.463 -14.717 4.948 1.00 0.51 O ATOM 119 CB ARG A 8 127.513 -15.063 6.253 1.00 0.55 C ATOM 120 CG ARG A 8 126.593 -14.591 7.382 1.00 0.57 C ATOM 121 CD ARG A 8 125.868 -15.795 8.004 1.00 1.00 C ATOM 122 NE ARG A 8 124.571 -15.346 8.606 1.00 1.69 N ATOM 123 CZ ARG A 8 124.516 -14.331 9.427 1.00 2.27 C ATOM 124 NH1 ARG A 8 125.608 -13.809 9.913 1.00 2.42 N ATOM 125 NH2 ARG A 8 123.355 -13.876 9.812 1.00 3.21 N ATOM 0 H ARG A 8 126.495 -13.122 5.074 1.00 0.48 H new ATOM 0 HA ARG A 8 128.933 -13.468 6.580 1.00 0.50 H new ATOM 0 HB2 ARG A 8 126.920 -15.469 5.434 1.00 0.55 H new ATOM 0 HB3 ARG A 8 128.158 -15.867 6.609 1.00 0.55 H new ATOM 0 HG2 ARG A 8 127.175 -14.072 8.144 1.00 0.57 H new ATOM 0 HG3 ARG A 8 125.865 -13.877 6.996 1.00 0.57 H new ATOM 0 HD2 ARG A 8 125.684 -16.554 7.243 1.00 1.00 H new ATOM 0 HD3 ARG A 8 126.495 -16.255 8.768 1.00 1.00 H new ATOM 0 HE ARG A 8 123.713 -15.844 8.370 1.00 1.69 H new ATOM 0 HH11 ARG A 8 126.516 -14.193 9.653 1.00 2.42 H new ATOM 0 HH12 ARG A 8 125.554 -13.017 10.553 1.00 2.42 H new ATOM 0 HH21 ARG A 8 122.498 -14.312 9.472 1.00 3.21 H new ATOM 0 HH22 ARG A 8 123.305 -13.084 10.453 1.00 3.21 H new ATOM 139 N ASP A 9 128.867 -14.470 3.470 1.00 0.52 N ATOM 140 CA ASP A 9 129.743 -14.962 2.375 1.00 0.54 C ATOM 141 C ASP A 9 130.873 -13.960 2.135 1.00 0.49 C ATOM 142 O ASP A 9 132.003 -14.331 1.885 1.00 0.49 O ATOM 143 CB ASP A 9 128.916 -15.111 1.098 1.00 0.61 C ATOM 144 CG ASP A 9 127.946 -16.286 1.249 1.00 0.68 C ATOM 145 OD1 ASP A 9 128.278 -17.215 1.968 1.00 0.67 O ATOM 146 OD2 ASP A 9 126.886 -16.235 0.646 1.00 0.76 O ATOM 0 H ASP A 9 127.921 -14.212 3.187 1.00 0.52 H new ATOM 0 HA ASP A 9 130.168 -15.927 2.652 1.00 0.54 H new ATOM 0 HB2 ASP A 9 128.363 -14.193 0.902 1.00 0.61 H new ATOM 0 HB3 ASP A 9 129.573 -15.276 0.244 1.00 0.61 H new ATOM 151 N PHE A 10 130.572 -12.697 2.191 1.00 0.46 N ATOM 152 CA PHE A 10 131.629 -11.674 1.944 1.00 0.43 C ATOM 153 C PHE A 10 132.700 -11.738 3.050 1.00 0.38 C ATOM 154 O PHE A 10 133.884 -11.701 2.783 1.00 0.36 O ATOM 155 CB PHE A 10 130.971 -10.289 1.927 1.00 0.45 C ATOM 156 CG PHE A 10 131.950 -9.250 1.429 1.00 0.43 C ATOM 157 CD1 PHE A 10 132.101 -9.041 0.051 1.00 0.44 C ATOM 158 CD2 PHE A 10 132.691 -8.484 2.338 1.00 0.43 C ATOM 159 CE1 PHE A 10 132.993 -8.071 -0.420 1.00 0.44 C ATOM 160 CE2 PHE A 10 133.586 -7.513 1.866 1.00 0.43 C ATOM 161 CZ PHE A 10 133.737 -7.308 0.488 1.00 0.43 C ATOM 0 H PHE A 10 129.644 -12.326 2.396 1.00 0.46 H new ATOM 0 HA PHE A 10 132.115 -11.867 0.987 1.00 0.43 H new ATOM 0 HB2 PHE A 10 130.090 -10.305 1.286 1.00 0.45 H new ATOM 0 HB3 PHE A 10 130.631 -10.028 2.929 1.00 0.45 H new ATOM 0 HD1 PHE A 10 131.527 -9.630 -0.649 1.00 0.44 H new ATOM 0 HD2 PHE A 10 132.573 -8.641 3.400 1.00 0.43 H new ATOM 0 HE1 PHE A 10 133.107 -7.911 -1.482 1.00 0.44 H new ATOM 0 HE2 PHE A 10 134.159 -6.923 2.565 1.00 0.43 H new ATOM 0 HZ PHE A 10 134.428 -6.561 0.126 1.00 0.43 H new ATOM 171 N VAL A 11 132.291 -11.820 4.290 1.00 0.37 N ATOM 172 CA VAL A 11 133.276 -11.868 5.423 1.00 0.35 C ATOM 173 C VAL A 11 133.700 -13.309 5.741 1.00 0.37 C ATOM 174 O VAL A 11 134.426 -13.546 6.687 1.00 0.38 O ATOM 175 CB VAL A 11 132.626 -11.259 6.665 1.00 0.37 C ATOM 176 CG1 VAL A 11 132.141 -9.844 6.345 1.00 0.44 C ATOM 177 CG2 VAL A 11 131.437 -12.125 7.079 1.00 0.40 C ATOM 0 H VAL A 11 131.312 -11.856 4.572 1.00 0.37 H new ATOM 0 HA VAL A 11 134.164 -11.308 5.130 1.00 0.35 H new ATOM 0 HB VAL A 11 133.351 -11.216 7.478 1.00 0.37 H new ATOM 0 HG11 VAL A 11 131.677 -9.409 7.231 1.00 0.44 H new ATOM 0 HG12 VAL A 11 132.988 -9.229 6.040 1.00 0.44 H new ATOM 0 HG13 VAL A 11 131.412 -9.884 5.536 1.00 0.44 H new ATOM 0 HG21 VAL A 11 130.967 -11.698 7.965 1.00 0.40 H new ATOM 0 HG22 VAL A 11 130.713 -12.161 6.265 1.00 0.40 H new ATOM 0 HG23 VAL A 11 131.782 -13.134 7.303 1.00 0.40 H new ATOM 187 N ALA A 12 133.275 -14.272 4.959 1.00 0.41 N ATOM 188 CA ALA A 12 133.676 -15.697 5.222 1.00 0.48 C ATOM 189 C ALA A 12 134.807 -16.113 4.280 1.00 0.46 C ATOM 190 O ALA A 12 135.479 -17.101 4.498 1.00 0.49 O ATOM 191 CB ALA A 12 132.477 -16.619 5.003 1.00 0.54 C ATOM 0 H ALA A 12 132.668 -14.137 4.150 1.00 0.41 H new ATOM 0 HA ALA A 12 134.020 -15.777 6.253 1.00 0.48 H new ATOM 0 HB1 ALA A 12 132.772 -17.651 5.195 1.00 0.54 H new ATOM 0 HB2 ALA A 12 131.673 -16.339 5.684 1.00 0.54 H new ATOM 0 HB3 ALA A 12 132.130 -16.526 3.974 1.00 0.54 H new ATOM 197 N GLU A 13 135.022 -15.365 3.234 1.00 0.43 N ATOM 198 CA GLU A 13 136.107 -15.706 2.270 1.00 0.43 C ATOM 199 C GLU A 13 136.592 -14.411 1.611 1.00 0.40 C ATOM 200 O GLU A 13 135.839 -13.463 1.504 1.00 0.37 O ATOM 201 CB GLU A 13 135.548 -16.654 1.202 1.00 0.46 C ATOM 202 CG GLU A 13 134.229 -16.097 0.666 1.00 0.48 C ATOM 203 CD GLU A 13 133.757 -16.947 -0.513 1.00 0.61 C ATOM 204 OE1 GLU A 13 134.509 -17.811 -0.934 1.00 1.26 O ATOM 205 OE2 GLU A 13 132.651 -16.720 -0.979 1.00 1.05 O ATOM 0 H GLU A 13 134.489 -14.526 3.003 1.00 0.43 H new ATOM 0 HA GLU A 13 136.936 -16.193 2.783 1.00 0.43 H new ATOM 0 HB2 GLU A 13 136.265 -16.766 0.389 1.00 0.46 H new ATOM 0 HB3 GLU A 13 135.391 -17.645 1.627 1.00 0.46 H new ATOM 0 HG2 GLU A 13 133.475 -16.098 1.453 1.00 0.48 H new ATOM 0 HG3 GLU A 13 134.360 -15.062 0.352 1.00 0.48 H new ATOM 212 N PRO A 14 137.824 -14.353 1.163 1.00 0.42 N ATOM 213 CA PRO A 14 138.364 -13.135 0.498 1.00 0.40 C ATOM 214 C PRO A 14 137.307 -12.454 -0.379 1.00 0.36 C ATOM 215 O PRO A 14 136.361 -13.076 -0.821 1.00 0.36 O ATOM 216 CB PRO A 14 139.510 -13.687 -0.343 1.00 0.45 C ATOM 217 CG PRO A 14 140.041 -14.835 0.461 1.00 0.49 C ATOM 218 CD PRO A 14 138.842 -15.421 1.231 1.00 0.48 C ATOM 0 HA PRO A 14 138.678 -12.367 1.205 1.00 0.40 H new ATOM 0 HB2 PRO A 14 139.162 -14.015 -1.323 1.00 0.45 H new ATOM 0 HB3 PRO A 14 140.278 -12.932 -0.513 1.00 0.45 H new ATOM 0 HG2 PRO A 14 140.491 -15.587 -0.187 1.00 0.49 H new ATOM 0 HG3 PRO A 14 140.818 -14.501 1.149 1.00 0.49 H new ATOM 0 HD2 PRO A 14 138.485 -16.344 0.773 1.00 0.48 H new ATOM 0 HD3 PRO A 14 139.105 -15.658 2.262 1.00 0.48 H new ATOM 226 N MET A 15 137.447 -11.180 -0.622 1.00 0.35 N ATOM 227 CA MET A 15 136.435 -10.462 -1.457 1.00 0.35 C ATOM 228 C MET A 15 136.874 -10.461 -2.926 1.00 0.36 C ATOM 229 O MET A 15 136.059 -10.436 -3.827 1.00 0.39 O ATOM 230 CB MET A 15 136.285 -9.024 -0.947 1.00 0.37 C ATOM 231 CG MET A 15 137.638 -8.311 -0.980 1.00 0.41 C ATOM 232 SD MET A 15 137.576 -6.847 0.087 1.00 0.57 S ATOM 233 CE MET A 15 136.850 -5.711 -1.119 1.00 0.43 C ATOM 0 H MET A 15 138.216 -10.603 -0.280 1.00 0.35 H new ATOM 0 HA MET A 15 135.474 -10.971 -1.382 1.00 0.35 H new ATOM 0 HB2 MET A 15 135.566 -8.484 -1.563 1.00 0.37 H new ATOM 0 HB3 MET A 15 135.893 -9.030 0.070 1.00 0.37 H new ATOM 0 HG2 MET A 15 138.425 -8.986 -0.644 1.00 0.41 H new ATOM 0 HG3 MET A 15 137.883 -8.020 -2.001 1.00 0.41 H new ATOM 0 HE1 MET A 15 136.353 -4.894 -0.596 1.00 0.43 H new ATOM 0 HE2 MET A 15 137.636 -5.308 -1.758 1.00 0.43 H new ATOM 0 HE3 MET A 15 136.123 -6.246 -1.731 1.00 0.43 H new ATOM 243 N GLY A 16 138.156 -10.497 -3.171 1.00 0.37 N ATOM 244 CA GLY A 16 138.650 -10.510 -4.579 1.00 0.40 C ATOM 245 C GLY A 16 138.077 -9.323 -5.357 1.00 0.40 C ATOM 246 O GLY A 16 138.077 -8.200 -4.891 1.00 0.38 O ATOM 0 H GLY A 16 138.884 -10.518 -2.457 1.00 0.37 H new ATOM 0 HA2 GLY A 16 139.739 -10.468 -4.589 1.00 0.40 H new ATOM 0 HA3 GLY A 16 138.362 -11.443 -5.063 1.00 0.40 H new ATOM 250 N GLU A 17 137.613 -9.569 -6.557 1.00 0.41 N ATOM 251 CA GLU A 17 137.060 -8.472 -7.416 1.00 0.42 C ATOM 252 C GLU A 17 135.547 -8.634 -7.564 1.00 0.40 C ATOM 253 O GLU A 17 134.987 -8.343 -8.602 1.00 0.40 O ATOM 254 CB GLU A 17 137.712 -8.553 -8.797 1.00 0.47 C ATOM 255 CG GLU A 17 139.194 -8.191 -8.685 1.00 0.52 C ATOM 256 CD GLU A 17 139.857 -8.336 -10.055 1.00 0.57 C ATOM 257 OE1 GLU A 17 139.190 -8.792 -10.969 1.00 0.76 O ATOM 258 OE2 GLU A 17 141.023 -7.993 -10.168 1.00 0.85 O ATOM 0 H GLU A 17 137.593 -10.495 -6.985 1.00 0.41 H new ATOM 0 HA GLU A 17 137.271 -7.508 -6.954 1.00 0.42 H new ATOM 0 HB2 GLU A 17 137.602 -9.558 -9.204 1.00 0.47 H new ATOM 0 HB3 GLU A 17 137.212 -7.873 -9.487 1.00 0.47 H new ATOM 0 HG2 GLU A 17 139.304 -7.169 -8.322 1.00 0.52 H new ATOM 0 HG3 GLU A 17 139.685 -8.841 -7.961 1.00 0.52 H new ATOM 265 N LYS A 18 134.879 -9.106 -6.548 1.00 0.38 N ATOM 266 CA LYS A 18 133.405 -9.293 -6.663 1.00 0.36 C ATOM 267 C LYS A 18 132.761 -7.938 -6.988 1.00 0.32 C ATOM 268 O LYS A 18 133.267 -6.904 -6.596 1.00 0.31 O ATOM 269 CB LYS A 18 132.848 -9.811 -5.333 1.00 0.36 C ATOM 270 CG LYS A 18 133.257 -11.275 -5.133 1.00 0.45 C ATOM 271 CD LYS A 18 133.104 -11.653 -3.659 1.00 1.17 C ATOM 272 CE LYS A 18 133.421 -13.138 -3.475 1.00 1.44 C ATOM 273 NZ LYS A 18 132.278 -13.952 -3.978 1.00 2.01 N ATOM 0 H LYS A 18 135.285 -9.368 -5.650 1.00 0.38 H new ATOM 0 HA LYS A 18 133.184 -10.013 -7.451 1.00 0.36 H new ATOM 0 HB2 LYS A 18 133.224 -9.203 -4.510 1.00 0.36 H new ATOM 0 HB3 LYS A 18 131.762 -9.723 -5.324 1.00 0.36 H new ATOM 0 HG2 LYS A 18 132.637 -11.924 -5.752 1.00 0.45 H new ATOM 0 HG3 LYS A 18 134.289 -11.422 -5.451 1.00 0.45 H new ATOM 0 HD2 LYS A 18 133.774 -11.049 -3.047 1.00 1.17 H new ATOM 0 HD3 LYS A 18 132.089 -11.443 -3.323 1.00 1.17 H new ATOM 0 HE2 LYS A 18 134.332 -13.397 -4.015 1.00 1.44 H new ATOM 0 HE3 LYS A 18 133.602 -13.355 -2.422 1.00 1.44 H new ATOM 0 HZ1 LYS A 18 132.395 -14.940 -3.674 1.00 2.01 H new ATOM 0 HZ2 LYS A 18 131.388 -13.575 -3.594 1.00 2.01 H new ATOM 0 HZ3 LYS A 18 132.253 -13.910 -5.017 1.00 2.01 H new ATOM 287 N PRO A 19 131.666 -7.929 -7.717 1.00 0.31 N ATOM 288 CA PRO A 19 130.982 -6.659 -8.106 1.00 0.29 C ATOM 289 C PRO A 19 130.556 -5.835 -6.886 1.00 0.25 C ATOM 290 O PRO A 19 130.373 -6.355 -5.804 1.00 0.24 O ATOM 291 CB PRO A 19 129.760 -7.119 -8.932 1.00 0.32 C ATOM 292 CG PRO A 19 129.572 -8.567 -8.595 1.00 0.33 C ATOM 293 CD PRO A 19 130.958 -9.108 -8.246 1.00 0.34 C ATOM 0 HA PRO A 19 131.642 -6.000 -8.670 1.00 0.29 H new ATOM 0 HB2 PRO A 19 128.873 -6.538 -8.678 1.00 0.32 H new ATOM 0 HB3 PRO A 19 129.934 -6.984 -9.999 1.00 0.32 H new ATOM 0 HG2 PRO A 19 128.886 -8.685 -7.757 1.00 0.33 H new ATOM 0 HG3 PRO A 19 129.143 -9.110 -9.437 1.00 0.33 H new ATOM 0 HD2 PRO A 19 130.902 -9.907 -7.507 1.00 0.34 H new ATOM 0 HD3 PRO A 19 131.461 -9.518 -9.122 1.00 0.34 H new ATOM 301 N VAL A 20 130.405 -4.552 -7.062 1.00 0.25 N ATOM 302 CA VAL A 20 130.001 -3.680 -5.925 1.00 0.23 C ATOM 303 C VAL A 20 128.663 -4.150 -5.349 1.00 0.21 C ATOM 304 O VAL A 20 128.459 -4.181 -4.151 1.00 0.23 O ATOM 305 CB VAL A 20 129.870 -2.238 -6.418 1.00 0.27 C ATOM 306 CG1 VAL A 20 128.727 -2.146 -7.432 1.00 0.32 C ATOM 307 CG2 VAL A 20 129.572 -1.318 -5.230 1.00 0.29 C ATOM 0 H VAL A 20 130.545 -4.068 -7.949 1.00 0.25 H new ATOM 0 HA VAL A 20 130.759 -3.735 -5.144 1.00 0.23 H new ATOM 0 HB VAL A 20 130.802 -1.931 -6.892 1.00 0.27 H new ATOM 0 HG11 VAL A 20 128.634 -1.118 -7.783 1.00 0.32 H new ATOM 0 HG12 VAL A 20 128.937 -2.801 -8.278 1.00 0.32 H new ATOM 0 HG13 VAL A 20 127.795 -2.453 -6.958 1.00 0.32 H new ATOM 0 HG21 VAL A 20 129.478 -0.290 -5.580 1.00 0.29 H new ATOM 0 HG22 VAL A 20 128.640 -1.626 -4.756 1.00 0.29 H new ATOM 0 HG23 VAL A 20 130.385 -1.382 -4.507 1.00 0.29 H new ATOM 317 N GLY A 21 127.741 -4.502 -6.208 1.00 0.23 N ATOM 318 CA GLY A 21 126.401 -4.954 -5.741 1.00 0.21 C ATOM 319 C GLY A 21 126.540 -6.213 -4.885 1.00 0.20 C ATOM 320 O GLY A 21 125.569 -6.721 -4.358 1.00 0.19 O ATOM 0 H GLY A 21 127.863 -4.495 -7.221 1.00 0.23 H new ATOM 0 HA2 GLY A 21 125.923 -4.163 -5.163 1.00 0.21 H new ATOM 0 HA3 GLY A 21 125.758 -5.156 -6.598 1.00 0.21 H new ATOM 324 N SER A 22 127.731 -6.724 -4.723 1.00 0.20 N ATOM 325 CA SER A 22 127.910 -7.942 -3.884 1.00 0.20 C ATOM 326 C SER A 22 127.958 -7.528 -2.413 1.00 0.19 C ATOM 327 O SER A 22 127.717 -8.322 -1.526 1.00 0.20 O ATOM 328 CB SER A 22 129.219 -8.634 -4.263 1.00 0.23 C ATOM 329 OG SER A 22 129.362 -9.820 -3.494 1.00 1.24 O ATOM 0 H SER A 22 128.586 -6.351 -5.135 1.00 0.20 H new ATOM 0 HA SER A 22 127.080 -8.629 -4.047 1.00 0.20 H new ATOM 0 HB2 SER A 22 129.223 -8.874 -5.326 1.00 0.23 H new ATOM 0 HB3 SER A 22 130.062 -7.967 -4.084 1.00 0.23 H new ATOM 0 HG SER A 22 130.200 -10.267 -3.735 1.00 1.24 H new ATOM 335 N LEU A 23 128.267 -6.287 -2.149 1.00 0.17 N ATOM 336 CA LEU A 23 128.328 -5.821 -0.735 1.00 0.18 C ATOM 337 C LEU A 23 126.934 -5.883 -0.113 1.00 0.18 C ATOM 338 O LEU A 23 125.944 -5.537 -0.727 1.00 0.17 O ATOM 339 CB LEU A 23 128.845 -4.380 -0.690 1.00 0.18 C ATOM 340 CG LEU A 23 130.273 -4.323 -1.252 1.00 0.21 C ATOM 341 CD1 LEU A 23 130.743 -2.862 -1.302 1.00 0.23 C ATOM 342 CD2 LEU A 23 131.226 -5.146 -0.360 1.00 0.24 C ATOM 0 H LEU A 23 128.479 -5.577 -2.850 1.00 0.17 H new ATOM 0 HA LEU A 23 129.004 -6.466 -0.173 1.00 0.18 H new ATOM 0 HB2 LEU A 23 128.190 -3.730 -1.270 1.00 0.18 H new ATOM 0 HB3 LEU A 23 128.833 -4.011 0.336 1.00 0.18 H new ATOM 0 HG LEU A 23 130.280 -4.743 -2.258 1.00 0.21 H new ATOM 0 HD11 LEU A 23 131.757 -2.819 -1.701 1.00 0.23 H new ATOM 0 HD12 LEU A 23 130.076 -2.287 -1.944 1.00 0.23 H new ATOM 0 HD13 LEU A 23 130.731 -2.441 -0.297 1.00 0.23 H new ATOM 0 HD21 LEU A 23 132.236 -5.099 -0.767 1.00 0.24 H new ATOM 0 HD22 LEU A 23 131.223 -4.737 0.650 1.00 0.24 H new ATOM 0 HD23 LEU A 23 130.893 -6.184 -0.333 1.00 0.24 H new ATOM 354 N ALA A 24 126.860 -6.325 1.103 1.00 0.18 N ATOM 355 CA ALA A 24 125.539 -6.416 1.781 1.00 0.19 C ATOM 356 C ALA A 24 124.950 -5.012 1.948 1.00 0.20 C ATOM 357 O ALA A 24 125.634 -4.076 2.310 1.00 0.20 O ATOM 358 CB ALA A 24 125.709 -7.065 3.154 1.00 0.21 C ATOM 0 H ALA A 24 127.657 -6.629 1.662 1.00 0.18 H new ATOM 0 HA ALA A 24 124.865 -7.022 1.176 1.00 0.19 H new ATOM 0 HB1 ALA A 24 124.740 -7.130 3.648 1.00 0.21 H new ATOM 0 HB2 ALA A 24 126.123 -8.066 3.034 1.00 0.21 H new ATOM 0 HB3 ALA A 24 126.385 -6.462 3.760 1.00 0.21 H new ATOM 364 N GLY A 25 123.679 -4.874 1.684 1.00 0.20 N ATOM 365 CA GLY A 25 123.018 -3.541 1.818 1.00 0.21 C ATOM 366 C GLY A 25 123.022 -2.829 0.465 1.00 0.21 C ATOM 367 O GLY A 25 122.258 -1.912 0.239 1.00 0.22 O ATOM 0 H GLY A 25 123.066 -5.630 1.380 1.00 0.20 H new ATOM 0 HA2 GLY A 25 121.995 -3.665 2.172 1.00 0.21 H new ATOM 0 HA3 GLY A 25 123.541 -2.937 2.560 1.00 0.21 H new ATOM 371 N ILE A 26 123.864 -3.252 -0.445 1.00 0.20 N ATOM 372 CA ILE A 26 123.907 -2.607 -1.795 1.00 0.21 C ATOM 373 C ILE A 26 123.114 -3.488 -2.756 1.00 0.23 C ATOM 374 O ILE A 26 123.515 -4.593 -3.061 1.00 0.25 O ATOM 375 CB ILE A 26 125.359 -2.496 -2.271 1.00 0.22 C ATOM 376 CG1 ILE A 26 126.201 -1.751 -1.221 1.00 0.22 C ATOM 377 CG2 ILE A 26 125.404 -1.732 -3.598 1.00 0.25 C ATOM 378 CD1 ILE A 26 125.555 -0.405 -0.863 1.00 0.24 C ATOM 0 H ILE A 26 124.525 -4.017 -0.312 1.00 0.20 H new ATOM 0 HA ILE A 26 123.479 -1.605 -1.754 1.00 0.21 H new ATOM 0 HB ILE A 26 125.767 -3.497 -2.411 1.00 0.22 H new ATOM 0 HG12 ILE A 26 126.298 -2.363 -0.324 1.00 0.22 H new ATOM 0 HG13 ILE A 26 127.208 -1.586 -1.605 1.00 0.22 H new ATOM 0 HG21 ILE A 26 126.437 -1.653 -3.937 1.00 0.25 H new ATOM 0 HG22 ILE A 26 124.817 -2.266 -4.345 1.00 0.25 H new ATOM 0 HG23 ILE A 26 124.991 -0.733 -3.457 1.00 0.25 H new ATOM 0 HD11 ILE A 26 126.166 0.106 -0.119 1.00 0.24 H new ATOM 0 HD12 ILE A 26 125.481 0.213 -1.758 1.00 0.24 H new ATOM 0 HD13 ILE A 26 124.558 -0.576 -0.457 1.00 0.24 H new ATOM 390 N GLY A 27 121.989 -3.025 -3.235 1.00 0.24 N ATOM 391 CA GLY A 27 121.177 -3.857 -4.172 1.00 0.28 C ATOM 392 C GLY A 27 121.502 -3.472 -5.614 1.00 0.28 C ATOM 393 O GLY A 27 122.337 -2.627 -5.869 1.00 0.27 O ATOM 0 H GLY A 27 121.598 -2.108 -3.018 1.00 0.24 H new ATOM 0 HA2 GLY A 27 121.388 -4.914 -4.011 1.00 0.28 H new ATOM 0 HA3 GLY A 27 120.115 -3.711 -3.977 1.00 0.28 H new ATOM 397 N GLU A 28 120.860 -4.096 -6.560 1.00 0.30 N ATOM 398 CA GLU A 28 121.147 -3.770 -7.984 1.00 0.32 C ATOM 399 C GLU A 28 120.911 -2.275 -8.225 1.00 0.32 C ATOM 400 O GLU A 28 121.655 -1.629 -8.934 1.00 0.34 O ATOM 401 CB GLU A 28 120.225 -4.582 -8.896 1.00 0.36 C ATOM 402 CG GLU A 28 120.591 -6.071 -8.818 1.00 0.39 C ATOM 403 CD GLU A 28 120.039 -6.676 -7.523 1.00 1.28 C ATOM 404 OE1 GLU A 28 119.268 -6.007 -6.856 1.00 2.01 O ATOM 405 OE2 GLU A 28 120.402 -7.802 -7.220 1.00 1.65 O ATOM 0 H GLU A 28 120.152 -4.815 -6.410 1.00 0.30 H new ATOM 0 HA GLU A 28 122.185 -4.017 -8.206 1.00 0.32 H new ATOM 0 HB2 GLU A 28 119.186 -4.438 -8.599 1.00 0.36 H new ATOM 0 HB3 GLU A 28 120.314 -4.230 -9.924 1.00 0.36 H new ATOM 0 HG2 GLU A 28 120.184 -6.600 -9.679 1.00 0.39 H new ATOM 0 HG3 GLU A 28 121.674 -6.191 -8.853 1.00 0.39 H new ATOM 412 N VAL A 29 119.881 -1.718 -7.649 1.00 0.31 N ATOM 413 CA VAL A 29 119.614 -0.267 -7.861 1.00 0.33 C ATOM 414 C VAL A 29 120.730 0.554 -7.209 1.00 0.33 C ATOM 415 O VAL A 29 121.253 1.483 -7.792 1.00 0.35 O ATOM 416 CB VAL A 29 118.265 0.103 -7.231 1.00 0.34 C ATOM 417 CG1 VAL A 29 118.086 1.625 -7.250 1.00 0.38 C ATOM 418 CG2 VAL A 29 117.133 -0.556 -8.025 1.00 0.35 C ATOM 0 H VAL A 29 119.217 -2.201 -7.044 1.00 0.31 H new ATOM 0 HA VAL A 29 119.583 -0.053 -8.929 1.00 0.33 H new ATOM 0 HB VAL A 29 118.239 -0.249 -6.200 1.00 0.34 H new ATOM 0 HG11 VAL A 29 117.127 1.884 -6.802 1.00 0.38 H new ATOM 0 HG12 VAL A 29 118.890 2.093 -6.682 1.00 0.38 H new ATOM 0 HG13 VAL A 29 118.114 1.982 -8.280 1.00 0.38 H new ATOM 0 HG21 VAL A 29 116.174 -0.294 -7.578 1.00 0.35 H new ATOM 0 HG22 VAL A 29 117.160 -0.205 -9.057 1.00 0.35 H new ATOM 0 HG23 VAL A 29 117.258 -1.639 -8.006 1.00 0.35 H new ATOM 428 N LEU A 30 121.094 0.220 -6.003 1.00 0.32 N ATOM 429 CA LEU A 30 122.166 0.978 -5.303 1.00 0.32 C ATOM 430 C LEU A 30 123.502 0.731 -6.003 1.00 0.32 C ATOM 431 O LEU A 30 124.305 1.626 -6.164 1.00 0.33 O ATOM 432 CB LEU A 30 122.247 0.524 -3.843 1.00 0.32 C ATOM 433 CG LEU A 30 120.912 0.802 -3.137 1.00 0.35 C ATOM 434 CD1 LEU A 30 120.970 0.240 -1.714 1.00 0.36 C ATOM 435 CD2 LEU A 30 120.643 2.319 -3.085 1.00 0.40 C ATOM 0 H LEU A 30 120.692 -0.551 -5.469 1.00 0.32 H new ATOM 0 HA LEU A 30 121.939 2.044 -5.331 1.00 0.32 H new ATOM 0 HB2 LEU A 30 122.479 -0.540 -3.796 1.00 0.32 H new ATOM 0 HB3 LEU A 30 123.055 1.049 -3.333 1.00 0.32 H new ATOM 0 HG LEU A 30 120.105 0.322 -3.691 1.00 0.35 H new ATOM 0 HD11 LEU A 30 120.025 0.434 -1.207 1.00 0.36 H new ATOM 0 HD12 LEU A 30 121.146 -0.835 -1.754 1.00 0.36 H new ATOM 0 HD13 LEU A 30 121.781 0.720 -1.166 1.00 0.36 H new ATOM 0 HD21 LEU A 30 119.694 2.503 -2.582 1.00 0.40 H new ATOM 0 HD22 LEU A 30 121.446 2.812 -2.537 1.00 0.40 H new ATOM 0 HD23 LEU A 30 120.599 2.716 -4.099 1.00 0.40 H new ATOM 447 N GLY A 31 123.740 -0.478 -6.426 1.00 0.33 N ATOM 448 CA GLY A 31 125.019 -0.778 -7.125 1.00 0.34 C ATOM 449 C GLY A 31 125.117 0.094 -8.378 1.00 0.35 C ATOM 450 O GLY A 31 126.167 0.606 -8.711 1.00 0.35 O ATOM 0 H GLY A 31 123.106 -1.270 -6.318 1.00 0.33 H new ATOM 0 HA2 GLY A 31 125.864 -0.584 -6.464 1.00 0.34 H new ATOM 0 HA3 GLY A 31 125.062 -1.833 -7.396 1.00 0.34 H new ATOM 454 N LYS A 32 124.026 0.268 -9.073 1.00 0.35 N ATOM 455 CA LYS A 32 124.052 1.106 -10.303 1.00 0.37 C ATOM 456 C LYS A 32 124.420 2.546 -9.939 1.00 0.36 C ATOM 457 O LYS A 32 125.154 3.204 -10.650 1.00 0.38 O ATOM 458 CB LYS A 32 122.667 1.099 -10.946 1.00 0.39 C ATOM 459 CG LYS A 32 122.722 1.848 -12.280 1.00 1.18 C ATOM 460 CD LYS A 32 121.337 1.841 -12.926 1.00 1.37 C ATOM 461 CE LYS A 32 121.402 2.585 -14.260 1.00 2.06 C ATOM 462 NZ LYS A 32 122.462 1.974 -15.109 1.00 2.74 N ATOM 0 H LYS A 32 123.118 -0.135 -8.841 1.00 0.35 H new ATOM 0 HA LYS A 32 124.790 0.703 -10.997 1.00 0.37 H new ATOM 0 HB2 LYS A 32 122.333 0.074 -11.106 1.00 0.39 H new ATOM 0 HB3 LYS A 32 121.943 1.570 -10.281 1.00 0.39 H new ATOM 0 HG2 LYS A 32 123.055 2.873 -12.120 1.00 1.18 H new ATOM 0 HG3 LYS A 32 123.447 1.377 -12.944 1.00 1.18 H new ATOM 0 HD2 LYS A 32 121.001 0.816 -13.083 1.00 1.37 H new ATOM 0 HD3 LYS A 32 120.612 2.316 -12.266 1.00 1.37 H new ATOM 0 HE2 LYS A 32 120.438 2.533 -14.767 1.00 2.06 H new ATOM 0 HE3 LYS A 32 121.617 3.640 -14.092 1.00 2.06 H new ATOM 0 HZ1 LYS A 32 122.192 2.050 -16.110 1.00 2.74 H new ATOM 0 HZ2 LYS A 32 123.361 2.473 -14.954 1.00 2.74 H new ATOM 0 HZ3 LYS A 32 122.574 0.972 -14.856 1.00 2.74 H new ATOM 476 N LYS A 33 123.909 3.049 -8.849 1.00 0.35 N ATOM 477 CA LYS A 33 124.231 4.454 -8.471 1.00 0.36 C ATOM 478 C LYS A 33 125.707 4.536 -8.094 1.00 0.34 C ATOM 479 O LYS A 33 126.412 5.434 -8.507 1.00 0.36 O ATOM 480 CB LYS A 33 123.366 4.867 -7.278 1.00 0.36 C ATOM 481 CG LYS A 33 121.907 5.007 -7.723 1.00 0.39 C ATOM 482 CD LYS A 33 121.046 5.422 -6.527 1.00 0.64 C ATOM 483 CE LYS A 33 119.588 5.560 -6.972 1.00 0.65 C ATOM 484 NZ LYS A 33 119.471 6.678 -7.949 1.00 1.54 N ATOM 0 H LYS A 33 123.288 2.554 -8.209 1.00 0.35 H new ATOM 0 HA LYS A 33 124.030 5.124 -9.307 1.00 0.36 H new ATOM 0 HB2 LYS A 33 123.445 4.124 -6.485 1.00 0.36 H new ATOM 0 HB3 LYS A 33 123.723 5.811 -6.867 1.00 0.36 H new ATOM 0 HG2 LYS A 33 121.827 5.750 -8.517 1.00 0.39 H new ATOM 0 HG3 LYS A 33 121.548 4.063 -8.133 1.00 0.39 H new ATOM 0 HD2 LYS A 33 121.126 4.680 -5.732 1.00 0.64 H new ATOM 0 HD3 LYS A 33 121.404 6.367 -6.118 1.00 0.64 H new ATOM 0 HE2 LYS A 33 119.245 4.630 -7.425 1.00 0.65 H new ATOM 0 HE3 LYS A 33 118.949 5.749 -6.109 1.00 0.65 H new ATOM 0 HZ1 LYS A 33 118.479 6.985 -8.008 1.00 1.54 H new ATOM 0 HZ2 LYS A 33 120.062 7.475 -7.637 1.00 1.54 H new ATOM 0 HZ3 LYS A 33 119.790 6.356 -8.885 1.00 1.54 H new ATOM 498 N LEU A 34 126.190 3.594 -7.332 1.00 0.32 N ATOM 499 CA LEU A 34 127.631 3.608 -6.956 1.00 0.31 C ATOM 500 C LEU A 34 128.474 3.414 -8.230 1.00 0.31 C ATOM 501 O LEU A 34 129.500 4.035 -8.417 1.00 0.33 O ATOM 502 CB LEU A 34 127.901 2.466 -5.966 1.00 0.29 C ATOM 503 CG LEU A 34 127.238 2.767 -4.612 1.00 0.30 C ATOM 504 CD1 LEU A 34 127.225 1.488 -3.767 1.00 0.30 C ATOM 505 CD2 LEU A 34 128.021 3.863 -3.855 1.00 0.34 C ATOM 0 H LEU A 34 125.650 2.816 -6.954 1.00 0.32 H new ATOM 0 HA LEU A 34 127.894 4.556 -6.487 1.00 0.31 H new ATOM 0 HB2 LEU A 34 127.515 1.529 -6.367 1.00 0.29 H new ATOM 0 HB3 LEU A 34 128.975 2.338 -5.832 1.00 0.29 H new ATOM 0 HG LEU A 34 126.221 3.118 -4.788 1.00 0.30 H new ATOM 0 HD11 LEU A 34 126.756 1.693 -2.804 1.00 0.30 H new ATOM 0 HD12 LEU A 34 126.662 0.714 -4.288 1.00 0.30 H new ATOM 0 HD13 LEU A 34 128.248 1.147 -3.607 1.00 0.30 H new ATOM 0 HD21 LEU A 34 127.536 4.062 -2.899 1.00 0.34 H new ATOM 0 HD22 LEU A 34 129.043 3.525 -3.680 1.00 0.34 H new ATOM 0 HD23 LEU A 34 128.037 4.776 -4.451 1.00 0.34 H new ATOM 517 N GLU A 35 128.034 2.541 -9.096 1.00 0.32 N ATOM 518 CA GLU A 35 128.798 2.287 -10.360 1.00 0.34 C ATOM 519 C GLU A 35 128.898 3.583 -11.167 1.00 0.37 C ATOM 520 O GLU A 35 129.940 3.925 -11.688 1.00 0.39 O ATOM 521 CB GLU A 35 128.083 1.215 -11.194 1.00 0.35 C ATOM 522 CG GLU A 35 128.867 0.948 -12.487 1.00 0.93 C ATOM 523 CD GLU A 35 128.152 -0.126 -13.309 1.00 1.02 C ATOM 524 OE1 GLU A 35 127.144 -0.628 -12.843 1.00 1.67 O ATOM 525 OE2 GLU A 35 128.629 -0.431 -14.391 1.00 1.36 O ATOM 0 H GLU A 35 127.181 1.992 -8.987 1.00 0.32 H new ATOM 0 HA GLU A 35 129.799 1.937 -10.110 1.00 0.34 H new ATOM 0 HB2 GLU A 35 127.992 0.295 -10.617 1.00 0.35 H new ATOM 0 HB3 GLU A 35 127.071 1.543 -11.433 1.00 0.35 H new ATOM 0 HG2 GLU A 35 128.954 1.866 -13.067 1.00 0.93 H new ATOM 0 HG3 GLU A 35 129.880 0.624 -12.249 1.00 0.93 H new ATOM 532 N GLU A 36 127.818 4.304 -11.272 1.00 0.39 N ATOM 533 CA GLU A 36 127.836 5.580 -12.039 1.00 0.43 C ATOM 534 C GLU A 36 128.757 6.571 -11.330 1.00 0.45 C ATOM 535 O GLU A 36 129.213 7.541 -11.902 1.00 0.49 O ATOM 536 CB GLU A 36 126.413 6.145 -12.107 1.00 0.45 C ATOM 537 CG GLU A 36 126.418 7.456 -12.894 1.00 1.12 C ATOM 538 CD GLU A 36 124.982 7.957 -13.047 1.00 1.39 C ATOM 539 OE1 GLU A 36 124.096 7.339 -12.480 1.00 2.00 O ATOM 540 OE2 GLU A 36 124.794 8.955 -13.722 1.00 1.86 O ATOM 0 H GLU A 36 126.918 4.063 -10.857 1.00 0.39 H new ATOM 0 HA GLU A 36 128.201 5.406 -13.051 1.00 0.43 H new ATOM 0 HB2 GLU A 36 125.748 5.425 -12.584 1.00 0.45 H new ATOM 0 HB3 GLU A 36 126.030 6.315 -11.101 1.00 0.45 H new ATOM 0 HG2 GLU A 36 127.023 8.202 -12.378 1.00 1.12 H new ATOM 0 HG3 GLU A 36 126.869 7.303 -13.875 1.00 1.12 H new ATOM 547 N ARG A 37 129.021 6.333 -10.079 1.00 0.42 N ATOM 548 CA ARG A 37 129.898 7.258 -9.308 1.00 0.45 C ATOM 549 C ARG A 37 131.361 6.808 -9.419 1.00 0.42 C ATOM 550 O ARG A 37 132.243 7.405 -8.835 1.00 0.43 O ATOM 551 CB ARG A 37 129.451 7.258 -7.841 1.00 0.45 C ATOM 552 CG ARG A 37 128.129 8.037 -7.683 1.00 0.53 C ATOM 553 CD ARG A 37 128.403 9.535 -7.497 1.00 0.86 C ATOM 554 NE ARG A 37 127.109 10.269 -7.443 1.00 1.42 N ATOM 555 CZ ARG A 37 127.058 11.473 -6.942 1.00 1.88 C ATOM 556 NH1 ARG A 37 128.136 12.028 -6.457 1.00 2.15 N ATOM 557 NH2 ARG A 37 125.924 12.118 -6.916 1.00 2.69 N ATOM 0 H ARG A 37 128.666 5.534 -9.553 1.00 0.42 H new ATOM 0 HA ARG A 37 129.817 8.267 -9.713 1.00 0.45 H new ATOM 0 HB2 ARG A 37 129.321 6.233 -7.494 1.00 0.45 H new ATOM 0 HB3 ARG A 37 130.224 7.710 -7.219 1.00 0.45 H new ATOM 0 HG2 ARG A 37 127.503 7.883 -8.562 1.00 0.53 H new ATOM 0 HG3 ARG A 37 127.575 7.654 -6.826 1.00 0.53 H new ATOM 0 HD2 ARG A 37 128.967 9.702 -6.580 1.00 0.86 H new ATOM 0 HD3 ARG A 37 129.013 9.910 -8.319 1.00 0.86 H new ATOM 0 HE ARG A 37 126.260 9.830 -7.799 1.00 1.42 H new ATOM 0 HH11 ARG A 37 129.021 11.520 -6.469 1.00 2.15 H new ATOM 0 HH12 ARG A 37 128.093 12.969 -6.066 1.00 2.15 H new ATOM 0 HH21 ARG A 37 125.080 11.681 -7.287 1.00 2.69 H new ATOM 0 HH22 ARG A 37 125.881 13.059 -6.525 1.00 2.69 H new ATOM 571 N GLY A 38 131.633 5.783 -10.199 1.00 0.40 N ATOM 572 CA GLY A 38 133.052 5.328 -10.385 1.00 0.39 C ATOM 573 C GLY A 38 133.363 4.088 -9.536 1.00 0.37 C ATOM 574 O GLY A 38 134.500 3.665 -9.460 1.00 0.48 O ATOM 0 H GLY A 38 130.936 5.244 -10.713 1.00 0.40 H new ATOM 0 HA2 GLY A 38 133.228 5.103 -11.437 1.00 0.39 H new ATOM 0 HA3 GLY A 38 133.732 6.135 -10.114 1.00 0.39 H new ATOM 578 N PHE A 39 132.383 3.491 -8.903 1.00 0.31 N ATOM 579 CA PHE A 39 132.648 2.271 -8.071 1.00 0.28 C ATOM 580 C PHE A 39 132.115 1.030 -8.796 1.00 0.28 C ATOM 581 O PHE A 39 131.076 0.498 -8.458 1.00 0.28 O ATOM 582 CB PHE A 39 131.909 2.404 -6.745 1.00 0.27 C ATOM 583 CG PHE A 39 132.419 3.596 -5.969 1.00 0.28 C ATOM 584 CD1 PHE A 39 131.884 4.859 -6.219 1.00 0.31 C ATOM 585 CD2 PHE A 39 133.409 3.437 -4.990 1.00 0.28 C ATOM 586 CE1 PHE A 39 132.338 5.970 -5.498 1.00 0.33 C ATOM 587 CE2 PHE A 39 133.865 4.547 -4.270 1.00 0.30 C ATOM 588 CZ PHE A 39 133.330 5.813 -4.525 1.00 0.32 C ATOM 0 H PHE A 39 131.409 3.794 -8.925 1.00 0.31 H new ATOM 0 HA PHE A 39 133.721 2.174 -7.904 1.00 0.28 H new ATOM 0 HB2 PHE A 39 130.840 2.513 -6.928 1.00 0.27 H new ATOM 0 HB3 PHE A 39 132.041 1.496 -6.156 1.00 0.27 H new ATOM 0 HD1 PHE A 39 131.118 4.981 -6.970 1.00 0.31 H new ATOM 0 HD2 PHE A 39 133.820 2.458 -4.791 1.00 0.28 H new ATOM 0 HE1 PHE A 39 131.922 6.948 -5.693 1.00 0.33 H new ATOM 0 HE2 PHE A 39 134.630 4.426 -3.517 1.00 0.30 H new ATOM 0 HZ PHE A 39 133.683 6.670 -3.970 1.00 0.32 H new ATOM 598 N ASP A 40 132.806 0.577 -9.805 1.00 0.30 N ATOM 599 CA ASP A 40 132.316 -0.616 -10.557 1.00 0.31 C ATOM 600 C ASP A 40 132.658 -1.901 -9.797 1.00 0.29 C ATOM 601 O ASP A 40 132.197 -2.972 -10.144 1.00 0.30 O ATOM 602 CB ASP A 40 132.985 -0.653 -11.931 1.00 0.35 C ATOM 603 CG ASP A 40 134.500 -0.787 -11.756 1.00 0.37 C ATOM 604 OD1 ASP A 40 134.979 -0.500 -10.673 1.00 0.37 O ATOM 605 OD2 ASP A 40 135.154 -1.177 -12.710 1.00 0.41 O ATOM 0 H ASP A 40 133.682 0.976 -10.141 1.00 0.30 H new ATOM 0 HA ASP A 40 131.234 -0.546 -10.668 1.00 0.31 H new ATOM 0 HB2 ASP A 40 132.600 -1.490 -12.513 1.00 0.35 H new ATOM 0 HB3 ASP A 40 132.751 0.255 -12.486 1.00 0.35 H new ATOM 610 N LYS A 41 133.462 -1.810 -8.767 1.00 0.28 N ATOM 611 CA LYS A 41 133.839 -3.034 -7.983 1.00 0.28 C ATOM 612 C LYS A 41 133.742 -2.746 -6.486 1.00 0.23 C ATOM 613 O LYS A 41 133.801 -1.614 -6.047 1.00 0.23 O ATOM 614 CB LYS A 41 135.273 -3.447 -8.327 1.00 0.34 C ATOM 615 CG LYS A 41 135.399 -3.764 -9.826 1.00 0.48 C ATOM 616 CD LYS A 41 134.692 -5.087 -10.156 1.00 0.74 C ATOM 617 CE LYS A 41 135.134 -5.571 -11.540 1.00 0.71 C ATOM 618 NZ LYS A 41 134.629 -4.630 -12.582 1.00 1.56 N ATOM 0 H LYS A 41 133.876 -0.940 -8.432 1.00 0.28 H new ATOM 0 HA LYS A 41 133.154 -3.842 -8.240 1.00 0.28 H new ATOM 0 HB2 LYS A 41 135.962 -2.646 -8.060 1.00 0.34 H new ATOM 0 HB3 LYS A 41 135.557 -4.320 -7.740 1.00 0.34 H new ATOM 0 HG2 LYS A 41 134.963 -2.955 -10.413 1.00 0.48 H new ATOM 0 HG3 LYS A 41 136.451 -3.828 -10.103 1.00 0.48 H new ATOM 0 HD2 LYS A 41 134.932 -5.838 -9.403 1.00 0.74 H new ATOM 0 HD3 LYS A 41 133.611 -4.949 -10.135 1.00 0.74 H new ATOM 0 HE2 LYS A 41 136.221 -5.631 -11.586 1.00 0.71 H new ATOM 0 HE3 LYS A 41 134.751 -6.575 -11.725 1.00 0.71 H new ATOM 0 HZ1 LYS A 41 134.811 -5.027 -13.526 1.00 1.56 H new ATOM 0 HZ2 LYS A 41 133.606 -4.490 -12.457 1.00 1.56 H new ATOM 0 HZ3 LYS A 41 135.118 -3.716 -12.491 1.00 1.56 H new ATOM 632 N ALA A 42 133.575 -3.774 -5.704 1.00 0.21 N ATOM 633 CA ALA A 42 133.450 -3.603 -4.230 1.00 0.20 C ATOM 634 C ALA A 42 134.741 -3.041 -3.625 1.00 0.18 C ATOM 635 O ALA A 42 134.704 -2.234 -2.717 1.00 0.18 O ATOM 636 CB ALA A 42 133.143 -4.960 -3.593 1.00 0.21 C ATOM 0 H ALA A 42 133.519 -4.740 -6.028 1.00 0.21 H new ATOM 0 HA ALA A 42 132.643 -2.897 -4.031 1.00 0.20 H new ATOM 0 HB1 ALA A 42 133.050 -4.842 -2.513 1.00 0.21 H new ATOM 0 HB2 ALA A 42 132.208 -5.349 -3.997 1.00 0.21 H new ATOM 0 HB3 ALA A 42 133.952 -5.657 -3.814 1.00 0.21 H new ATOM 642 N TYR A 43 135.884 -3.478 -4.083 1.00 0.19 N ATOM 643 CA TYR A 43 137.154 -2.980 -3.477 1.00 0.18 C ATOM 644 C TYR A 43 137.255 -1.456 -3.592 1.00 0.17 C ATOM 645 O TYR A 43 137.980 -0.828 -2.848 1.00 0.17 O ATOM 646 CB TYR A 43 138.374 -3.657 -4.125 1.00 0.20 C ATOM 647 CG TYR A 43 138.419 -3.385 -5.611 1.00 0.21 C ATOM 648 CD1 TYR A 43 138.846 -2.139 -6.086 1.00 0.21 C ATOM 649 CD2 TYR A 43 138.057 -4.391 -6.518 1.00 0.24 C ATOM 650 CE1 TYR A 43 138.910 -1.902 -7.463 1.00 0.25 C ATOM 651 CE2 TYR A 43 138.119 -4.151 -7.895 1.00 0.28 C ATOM 652 CZ TYR A 43 138.548 -2.906 -8.369 1.00 0.28 C ATOM 653 OH TYR A 43 138.615 -2.668 -9.728 1.00 0.32 O ATOM 0 H TYR A 43 135.994 -4.151 -4.842 1.00 0.19 H new ATOM 0 HA TYR A 43 137.144 -3.240 -2.418 1.00 0.18 H new ATOM 0 HB2 TYR A 43 139.288 -3.292 -3.657 1.00 0.20 H new ATOM 0 HB3 TYR A 43 138.334 -4.732 -3.950 1.00 0.20 H new ATOM 0 HD1 TYR A 43 139.126 -1.362 -5.390 1.00 0.21 H new ATOM 0 HD2 TYR A 43 137.730 -5.353 -6.153 1.00 0.24 H new ATOM 0 HE1 TYR A 43 139.240 -0.941 -7.829 1.00 0.25 H new ATOM 0 HE2 TYR A 43 137.836 -4.926 -8.592 1.00 0.28 H new ATOM 0 HH TYR A 43 138.806 -3.506 -10.198 1.00 0.32 H new ATOM 663 N VAL A 44 136.524 -0.842 -4.485 1.00 0.18 N ATOM 664 CA VAL A 44 136.583 0.647 -4.587 1.00 0.18 C ATOM 665 C VAL A 44 135.728 1.234 -3.458 1.00 0.17 C ATOM 666 O VAL A 44 136.028 2.266 -2.887 1.00 0.18 O ATOM 667 CB VAL A 44 136.027 1.106 -5.940 1.00 0.20 C ATOM 668 CG1 VAL A 44 136.261 2.615 -6.111 1.00 0.22 C ATOM 669 CG2 VAL A 44 136.731 0.352 -7.066 1.00 0.24 C ATOM 0 H VAL A 44 135.894 -1.301 -5.143 1.00 0.18 H new ATOM 0 HA VAL A 44 137.616 0.985 -4.503 1.00 0.18 H new ATOM 0 HB VAL A 44 134.957 0.899 -5.977 1.00 0.20 H new ATOM 0 HG11 VAL A 44 135.865 2.938 -7.074 1.00 0.22 H new ATOM 0 HG12 VAL A 44 135.755 3.155 -5.311 1.00 0.22 H new ATOM 0 HG13 VAL A 44 137.330 2.824 -6.070 1.00 0.22 H new ATOM 0 HG21 VAL A 44 136.334 0.680 -8.027 1.00 0.24 H new ATOM 0 HG22 VAL A 44 137.801 0.556 -7.027 1.00 0.24 H new ATOM 0 HG23 VAL A 44 136.561 -0.718 -6.949 1.00 0.24 H new ATOM 679 N VAL A 45 134.663 0.552 -3.137 1.00 0.17 N ATOM 680 CA VAL A 45 133.759 1.019 -2.048 1.00 0.17 C ATOM 681 C VAL A 45 134.426 0.707 -0.707 1.00 0.16 C ATOM 682 O VAL A 45 134.386 1.495 0.217 1.00 0.16 O ATOM 683 CB VAL A 45 132.418 0.287 -2.144 1.00 0.18 C ATOM 684 CG1 VAL A 45 131.552 0.633 -0.929 1.00 0.22 C ATOM 685 CG2 VAL A 45 131.692 0.706 -3.430 1.00 0.20 C ATOM 0 H VAL A 45 134.378 -0.318 -3.587 1.00 0.17 H new ATOM 0 HA VAL A 45 133.580 2.090 -2.137 1.00 0.17 H new ATOM 0 HB VAL A 45 132.597 -0.788 -2.164 1.00 0.18 H new ATOM 0 HG11 VAL A 45 130.598 0.110 -1.001 1.00 0.22 H new ATOM 0 HG12 VAL A 45 132.065 0.327 -0.017 1.00 0.22 H new ATOM 0 HG13 VAL A 45 131.375 1.708 -0.903 1.00 0.22 H new ATOM 0 HG21 VAL A 45 130.738 0.183 -3.496 1.00 0.20 H new ATOM 0 HG22 VAL A 45 131.516 1.782 -3.415 1.00 0.20 H new ATOM 0 HG23 VAL A 45 132.306 0.451 -4.294 1.00 0.20 H new ATOM 695 N LEU A 46 135.067 -0.425 -0.607 1.00 0.17 N ATOM 696 CA LEU A 46 135.772 -0.775 0.656 1.00 0.18 C ATOM 697 C LEU A 46 136.833 0.294 0.926 1.00 0.17 C ATOM 698 O LEU A 46 137.058 0.698 2.050 1.00 0.18 O ATOM 699 CB LEU A 46 136.434 -2.153 0.503 1.00 0.22 C ATOM 700 CG LEU A 46 137.277 -2.494 1.742 1.00 0.25 C ATOM 701 CD1 LEU A 46 136.402 -2.475 3.001 1.00 0.40 C ATOM 702 CD2 LEU A 46 137.885 -3.889 1.566 1.00 0.35 C ATOM 0 H LEU A 46 135.132 -1.123 -1.348 1.00 0.17 H new ATOM 0 HA LEU A 46 135.070 -0.815 1.489 1.00 0.18 H new ATOM 0 HB2 LEU A 46 135.668 -2.915 0.357 1.00 0.22 H new ATOM 0 HB3 LEU A 46 137.065 -2.162 -0.386 1.00 0.22 H new ATOM 0 HG LEU A 46 138.069 -1.753 1.852 1.00 0.25 H new ATOM 0 HD11 LEU A 46 137.011 -2.718 3.871 1.00 0.40 H new ATOM 0 HD12 LEU A 46 135.968 -1.483 3.128 1.00 0.40 H new ATOM 0 HD13 LEU A 46 135.604 -3.210 2.900 1.00 0.40 H new ATOM 0 HD21 LEU A 46 138.485 -4.138 2.442 1.00 0.35 H new ATOM 0 HD22 LEU A 46 137.087 -4.622 1.453 1.00 0.35 H new ATOM 0 HD23 LEU A 46 138.517 -3.901 0.678 1.00 0.35 H new ATOM 714 N GLY A 47 137.487 0.755 -0.106 1.00 0.17 N ATOM 715 CA GLY A 47 138.538 1.795 0.075 1.00 0.18 C ATOM 716 C GLY A 47 137.924 3.050 0.703 1.00 0.18 C ATOM 717 O GLY A 47 138.511 3.670 1.566 1.00 0.18 O ATOM 0 H GLY A 47 137.337 0.455 -1.069 1.00 0.17 H new ATOM 0 HA2 GLY A 47 139.336 1.412 0.711 1.00 0.18 H new ATOM 0 HA3 GLY A 47 138.988 2.041 -0.887 1.00 0.18 H new ATOM 721 N GLN A 48 136.747 3.432 0.281 1.00 0.17 N ATOM 722 CA GLN A 48 136.105 4.649 0.865 1.00 0.18 C ATOM 723 C GLN A 48 135.913 4.448 2.371 1.00 0.17 C ATOM 724 O GLN A 48 136.155 5.334 3.164 1.00 0.18 O ATOM 725 CB GLN A 48 134.743 4.875 0.203 1.00 0.19 C ATOM 726 CG GLN A 48 134.146 6.202 0.688 1.00 0.22 C ATOM 727 CD GLN A 48 135.008 7.363 0.186 1.00 0.28 C ATOM 728 OE1 GLN A 48 135.029 7.652 -0.992 1.00 0.98 O ATOM 729 NE2 GLN A 48 135.733 8.037 1.036 1.00 1.09 N ATOM 0 H GLN A 48 136.204 2.957 -0.440 1.00 0.17 H new ATOM 0 HA GLN A 48 136.742 5.516 0.691 1.00 0.18 H new ATOM 0 HB2 GLN A 48 134.853 4.889 -0.881 1.00 0.19 H new ATOM 0 HB3 GLN A 48 134.070 4.052 0.444 1.00 0.19 H new ATOM 0 HG2 GLN A 48 133.125 6.309 0.322 1.00 0.22 H new ATOM 0 HG3 GLN A 48 134.098 6.215 1.777 1.00 0.22 H new ATOM 0 HE21 GLN A 48 135.715 7.794 2.026 1.00 1.09 H new ATOM 0 HE22 GLN A 48 136.317 8.807 0.710 1.00 1.09 H new ATOM 738 N PHE A 49 135.492 3.281 2.767 1.00 0.17 N ATOM 739 CA PHE A 49 135.290 3.003 4.218 1.00 0.17 C ATOM 740 C PHE A 49 136.625 3.209 4.937 1.00 0.18 C ATOM 741 O PHE A 49 136.688 3.755 6.019 1.00 0.19 O ATOM 742 CB PHE A 49 134.810 1.556 4.366 1.00 0.17 C ATOM 743 CG PHE A 49 134.612 1.203 5.824 1.00 0.19 C ATOM 744 CD1 PHE A 49 133.614 1.838 6.571 1.00 0.23 C ATOM 745 CD2 PHE A 49 135.420 0.226 6.424 1.00 0.28 C ATOM 746 CE1 PHE A 49 133.423 1.499 7.917 1.00 0.26 C ATOM 747 CE2 PHE A 49 135.230 -0.112 7.767 1.00 0.31 C ATOM 748 CZ PHE A 49 134.232 0.524 8.515 1.00 0.26 C ATOM 0 H PHE A 49 135.277 2.502 2.145 1.00 0.17 H new ATOM 0 HA PHE A 49 134.546 3.671 4.653 1.00 0.17 H new ATOM 0 HB2 PHE A 49 133.874 1.421 3.824 1.00 0.17 H new ATOM 0 HB3 PHE A 49 135.538 0.879 3.919 1.00 0.17 H new ATOM 0 HD1 PHE A 49 132.991 2.590 6.110 1.00 0.23 H new ATOM 0 HD2 PHE A 49 136.190 -0.266 5.848 1.00 0.28 H new ATOM 0 HE1 PHE A 49 132.652 1.989 8.493 1.00 0.26 H new ATOM 0 HE2 PHE A 49 135.853 -0.864 8.228 1.00 0.31 H new ATOM 0 HZ PHE A 49 134.086 0.263 9.553 1.00 0.26 H new ATOM 758 N LEU A 50 137.682 2.784 4.326 1.00 0.19 N ATOM 759 CA LEU A 50 139.021 2.963 4.957 1.00 0.21 C ATOM 760 C LEU A 50 139.361 4.459 4.954 1.00 0.21 C ATOM 761 O LEU A 50 139.930 4.978 5.893 1.00 0.23 O ATOM 762 CB LEU A 50 140.066 2.178 4.160 1.00 0.23 C ATOM 763 CG LEU A 50 139.701 0.686 4.155 1.00 0.23 C ATOM 764 CD1 LEU A 50 140.752 -0.088 3.351 1.00 0.28 C ATOM 765 CD2 LEU A 50 139.646 0.144 5.596 1.00 0.28 C ATOM 0 H LEU A 50 137.686 2.320 3.418 1.00 0.19 H new ATOM 0 HA LEU A 50 139.014 2.592 5.982 1.00 0.21 H new ATOM 0 HB2 LEU A 50 140.115 2.554 3.138 1.00 0.23 H new ATOM 0 HB3 LEU A 50 141.054 2.319 4.599 1.00 0.23 H new ATOM 0 HG LEU A 50 138.720 0.559 3.697 1.00 0.23 H new ATOM 0 HD11 LEU A 50 140.497 -1.148 3.345 1.00 0.28 H new ATOM 0 HD12 LEU A 50 140.775 0.286 2.327 1.00 0.28 H new ATOM 0 HD13 LEU A 50 141.732 0.047 3.809 1.00 0.28 H new ATOM 0 HD21 LEU A 50 139.386 -0.914 5.577 1.00 0.28 H new ATOM 0 HD22 LEU A 50 140.620 0.270 6.070 1.00 0.28 H new ATOM 0 HD23 LEU A 50 138.893 0.692 6.162 1.00 0.28 H new ATOM 777 N VAL A 51 139.021 5.147 3.903 1.00 0.21 N ATOM 778 CA VAL A 51 139.326 6.608 3.823 1.00 0.23 C ATOM 779 C VAL A 51 138.574 7.370 4.927 1.00 0.23 C ATOM 780 O VAL A 51 138.968 8.449 5.325 1.00 0.24 O ATOM 781 CB VAL A 51 138.897 7.133 2.445 1.00 0.25 C ATOM 782 CG1 VAL A 51 138.977 8.666 2.419 1.00 0.28 C ATOM 783 CG2 VAL A 51 139.821 6.550 1.364 1.00 0.27 C ATOM 0 H VAL A 51 138.542 4.762 3.089 1.00 0.21 H new ATOM 0 HA VAL A 51 140.396 6.762 3.962 1.00 0.23 H new ATOM 0 HB VAL A 51 137.869 6.827 2.250 1.00 0.25 H new ATOM 0 HG11 VAL A 51 138.671 9.030 1.438 1.00 0.28 H new ATOM 0 HG12 VAL A 51 138.316 9.078 3.181 1.00 0.28 H new ATOM 0 HG13 VAL A 51 140.001 8.980 2.619 1.00 0.28 H new ATOM 0 HG21 VAL A 51 139.517 6.922 0.386 1.00 0.27 H new ATOM 0 HG22 VAL A 51 140.849 6.851 1.563 1.00 0.27 H new ATOM 0 HG23 VAL A 51 139.753 5.462 1.375 1.00 0.27 H new ATOM 793 N LEU A 52 137.483 6.830 5.406 1.00 0.22 N ATOM 794 CA LEU A 52 136.691 7.533 6.469 1.00 0.23 C ATOM 795 C LEU A 52 137.088 7.029 7.863 1.00 0.23 C ATOM 796 O LEU A 52 136.394 7.266 8.829 1.00 0.24 O ATOM 797 CB LEU A 52 135.200 7.289 6.238 1.00 0.24 C ATOM 798 CG LEU A 52 134.788 7.825 4.860 1.00 0.25 C ATOM 799 CD1 LEU A 52 133.299 7.545 4.639 1.00 0.31 C ATOM 800 CD2 LEU A 52 135.047 9.341 4.771 1.00 0.27 C ATOM 0 H LEU A 52 137.103 5.931 5.109 1.00 0.22 H new ATOM 0 HA LEU A 52 136.902 8.601 6.414 1.00 0.23 H new ATOM 0 HB2 LEU A 52 134.983 6.223 6.302 1.00 0.24 H new ATOM 0 HB3 LEU A 52 134.618 7.780 7.017 1.00 0.24 H new ATOM 0 HG LEU A 52 135.379 7.326 4.092 1.00 0.25 H new ATOM 0 HD11 LEU A 52 132.999 7.923 3.662 1.00 0.31 H new ATOM 0 HD12 LEU A 52 133.120 6.471 4.683 1.00 0.31 H new ATOM 0 HD13 LEU A 52 132.716 8.042 5.415 1.00 0.31 H new ATOM 0 HD21 LEU A 52 134.749 9.704 3.787 1.00 0.27 H new ATOM 0 HD22 LEU A 52 134.468 9.855 5.538 1.00 0.27 H new ATOM 0 HD23 LEU A 52 136.108 9.539 4.925 1.00 0.27 H new ATOM 812 N LYS A 53 138.201 6.363 7.990 1.00 0.22 N ATOM 813 CA LYS A 53 138.633 5.886 9.337 1.00 0.23 C ATOM 814 C LYS A 53 137.480 5.178 10.057 1.00 0.24 C ATOM 815 O LYS A 53 137.293 5.348 11.244 1.00 0.30 O ATOM 816 CB LYS A 53 139.101 7.082 10.172 1.00 0.29 C ATOM 817 CG LYS A 53 140.370 7.672 9.552 1.00 0.38 C ATOM 818 CD LYS A 53 140.795 8.931 10.315 1.00 0.49 C ATOM 819 CE LYS A 53 141.221 8.573 11.748 1.00 0.90 C ATOM 820 NZ LYS A 53 140.018 8.527 12.626 1.00 1.70 N ATOM 0 H LYS A 53 138.830 6.128 7.223 1.00 0.22 H new ATOM 0 HA LYS A 53 139.451 5.177 9.212 1.00 0.23 H new ATOM 0 HB2 LYS A 53 138.318 7.839 10.213 1.00 0.29 H new ATOM 0 HB3 LYS A 53 139.296 6.769 11.198 1.00 0.29 H new ATOM 0 HG2 LYS A 53 141.172 6.935 9.577 1.00 0.38 H new ATOM 0 HG3 LYS A 53 140.193 7.915 8.504 1.00 0.38 H new ATOM 0 HD2 LYS A 53 141.620 9.418 9.795 1.00 0.49 H new ATOM 0 HD3 LYS A 53 139.970 9.643 10.342 1.00 0.49 H new ATOM 0 HE2 LYS A 53 141.729 7.609 11.758 1.00 0.90 H new ATOM 0 HE3 LYS A 53 141.930 9.311 12.123 1.00 0.90 H new ATOM 0 HZ1 LYS A 53 140.148 9.176 13.428 1.00 1.70 H new ATOM 0 HZ2 LYS A 53 139.180 8.813 12.081 1.00 1.70 H new ATOM 0 HZ3 LYS A 53 139.885 7.559 12.982 1.00 1.70 H new ATOM 834 N LYS A 54 136.708 4.387 9.349 1.00 0.22 N ATOM 835 CA LYS A 54 135.569 3.651 9.981 1.00 0.25 C ATOM 836 C LYS A 54 134.591 4.647 10.608 1.00 0.27 C ATOM 837 O LYS A 54 133.787 4.288 11.446 1.00 0.33 O ATOM 838 CB LYS A 54 136.106 2.704 11.064 1.00 0.35 C ATOM 839 CG LYS A 54 137.062 1.690 10.430 1.00 0.67 C ATOM 840 CD LYS A 54 137.614 0.760 11.512 1.00 0.83 C ATOM 841 CE LYS A 54 138.558 -0.262 10.875 1.00 1.41 C ATOM 842 NZ LYS A 54 139.359 -0.935 11.938 1.00 2.24 N ATOM 0 H LYS A 54 136.821 4.219 8.349 1.00 0.22 H new ATOM 0 HA LYS A 54 135.049 3.071 9.218 1.00 0.25 H new ATOM 0 HB2 LYS A 54 136.623 3.274 11.836 1.00 0.35 H new ATOM 0 HB3 LYS A 54 135.280 2.185 11.550 1.00 0.35 H new ATOM 0 HG2 LYS A 54 136.540 1.110 9.669 1.00 0.67 H new ATOM 0 HG3 LYS A 54 137.880 2.209 9.930 1.00 0.67 H new ATOM 0 HD2 LYS A 54 138.145 1.339 12.268 1.00 0.83 H new ATOM 0 HD3 LYS A 54 136.796 0.248 12.019 1.00 0.83 H new ATOM 0 HE2 LYS A 54 137.985 -1.001 10.315 1.00 1.41 H new ATOM 0 HE3 LYS A 54 139.221 0.233 10.165 1.00 1.41 H new ATOM 0 HZ1 LYS A 54 140.000 -1.629 11.503 1.00 2.24 H new ATOM 0 HZ2 LYS A 54 139.917 -0.225 12.454 1.00 2.24 H new ATOM 0 HZ3 LYS A 54 138.720 -1.421 12.599 1.00 2.24 H new ATOM 856 N ASP A 55 134.625 5.886 10.205 1.00 0.29 N ATOM 857 CA ASP A 55 133.663 6.860 10.787 1.00 0.39 C ATOM 858 C ASP A 55 132.258 6.486 10.301 1.00 0.37 C ATOM 859 O ASP A 55 131.923 6.652 9.145 1.00 0.37 O ATOM 860 CB ASP A 55 134.030 8.272 10.333 1.00 0.46 C ATOM 861 CG ASP A 55 135.300 8.724 11.054 1.00 1.18 C ATOM 862 OD1 ASP A 55 135.439 8.408 12.224 1.00 1.80 O ATOM 863 OD2 ASP A 55 136.107 9.390 10.429 1.00 1.55 O ATOM 0 H ASP A 55 135.268 6.262 9.508 1.00 0.29 H new ATOM 0 HA ASP A 55 133.695 6.832 11.876 1.00 0.39 H new ATOM 0 HB2 ASP A 55 134.185 8.290 9.254 1.00 0.46 H new ATOM 0 HB3 ASP A 55 133.212 8.959 10.549 1.00 0.46 H new ATOM 868 N GLU A 56 131.452 5.943 11.174 1.00 0.38 N ATOM 869 CA GLU A 56 130.079 5.499 10.787 1.00 0.37 C ATOM 870 C GLU A 56 129.203 6.657 10.296 1.00 0.38 C ATOM 871 O GLU A 56 128.461 6.513 9.349 1.00 0.37 O ATOM 872 CB GLU A 56 129.422 4.841 12.006 1.00 0.39 C ATOM 873 CG GLU A 56 128.011 4.366 11.652 1.00 0.41 C ATOM 874 CD GLU A 56 127.431 3.585 12.833 1.00 0.62 C ATOM 875 OE1 GLU A 56 128.154 3.379 13.795 1.00 0.87 O ATOM 876 OE2 GLU A 56 126.275 3.204 12.755 1.00 0.85 O ATOM 0 H GLU A 56 131.690 5.786 12.153 1.00 0.38 H new ATOM 0 HA GLU A 56 130.170 4.796 9.959 1.00 0.37 H new ATOM 0 HB2 GLU A 56 130.024 3.997 12.342 1.00 0.39 H new ATOM 0 HB3 GLU A 56 129.378 5.550 12.832 1.00 0.39 H new ATOM 0 HG2 GLU A 56 127.375 5.220 11.418 1.00 0.41 H new ATOM 0 HG3 GLU A 56 128.039 3.736 10.763 1.00 0.41 H new ATOM 883 N ASP A 57 129.269 7.798 10.916 1.00 0.40 N ATOM 884 CA ASP A 57 128.413 8.932 10.456 1.00 0.41 C ATOM 885 C ASP A 57 128.905 9.432 9.099 1.00 0.40 C ATOM 886 O ASP A 57 128.121 9.741 8.227 1.00 0.40 O ATOM 887 CB ASP A 57 128.459 10.073 11.475 1.00 0.45 C ATOM 888 CG ASP A 57 127.719 9.653 12.744 1.00 0.47 C ATOM 889 OD1 ASP A 57 126.872 8.780 12.649 1.00 0.64 O ATOM 890 OD2 ASP A 57 128.011 10.209 13.789 1.00 0.73 O ATOM 0 H ASP A 57 129.871 7.998 11.715 1.00 0.40 H new ATOM 0 HA ASP A 57 127.385 8.584 10.361 1.00 0.41 H new ATOM 0 HB2 ASP A 57 129.493 10.323 11.710 1.00 0.45 H new ATOM 0 HB3 ASP A 57 128.002 10.969 11.055 1.00 0.45 H new ATOM 895 N LEU A 58 130.182 9.503 8.906 1.00 0.40 N ATOM 896 CA LEU A 58 130.681 9.973 7.584 1.00 0.40 C ATOM 897 C LEU A 58 130.379 8.911 6.526 1.00 0.37 C ATOM 898 O LEU A 58 129.988 9.221 5.417 1.00 0.38 O ATOM 899 CB LEU A 58 132.192 10.218 7.633 1.00 0.40 C ATOM 900 CG LEU A 58 132.532 11.293 8.675 1.00 0.47 C ATOM 901 CD1 LEU A 58 134.055 11.480 8.725 1.00 0.45 C ATOM 902 CD2 LEU A 58 131.862 12.626 8.296 1.00 0.55 C ATOM 0 H LEU A 58 130.898 9.261 9.591 1.00 0.40 H new ATOM 0 HA LEU A 58 130.181 10.909 7.333 1.00 0.40 H new ATOM 0 HB2 LEU A 58 132.708 9.290 7.878 1.00 0.40 H new ATOM 0 HB3 LEU A 58 132.547 10.531 6.651 1.00 0.40 H new ATOM 0 HG LEU A 58 132.165 10.978 9.652 1.00 0.47 H new ATOM 0 HD11 LEU A 58 134.304 12.242 9.463 1.00 0.45 H new ATOM 0 HD12 LEU A 58 134.528 10.538 9.002 1.00 0.45 H new ATOM 0 HD13 LEU A 58 134.416 11.793 7.745 1.00 0.45 H new ATOM 0 HD21 LEU A 58 132.109 13.382 9.041 1.00 0.55 H new ATOM 0 HD22 LEU A 58 132.221 12.949 7.319 1.00 0.55 H new ATOM 0 HD23 LEU A 58 130.781 12.492 8.259 1.00 0.55 H new ATOM 914 N PHE A 59 130.541 7.659 6.860 1.00 0.36 N ATOM 915 CA PHE A 59 130.242 6.589 5.868 1.00 0.35 C ATOM 916 C PHE A 59 128.751 6.610 5.529 1.00 0.35 C ATOM 917 O PHE A 59 128.363 6.603 4.379 1.00 0.35 O ATOM 918 CB PHE A 59 130.611 5.224 6.451 1.00 0.34 C ATOM 919 CG PHE A 59 130.304 4.148 5.436 1.00 0.33 C ATOM 920 CD1 PHE A 59 131.284 3.762 4.513 1.00 0.35 C ATOM 921 CD2 PHE A 59 129.042 3.539 5.413 1.00 0.36 C ATOM 922 CE1 PHE A 59 131.002 2.768 3.569 1.00 0.36 C ATOM 923 CE2 PHE A 59 128.762 2.545 4.470 1.00 0.38 C ATOM 924 CZ PHE A 59 129.742 2.160 3.548 1.00 0.36 C ATOM 0 H PHE A 59 130.865 7.333 7.771 1.00 0.36 H new ATOM 0 HA PHE A 59 130.826 6.765 4.964 1.00 0.35 H new ATOM 0 HB2 PHE A 59 131.669 5.202 6.713 1.00 0.34 H new ATOM 0 HB3 PHE A 59 130.051 5.044 7.369 1.00 0.34 H new ATOM 0 HD1 PHE A 59 132.257 4.231 4.530 1.00 0.35 H new ATOM 0 HD2 PHE A 59 128.286 3.837 6.124 1.00 0.36 H new ATOM 0 HE1 PHE A 59 131.757 2.470 2.857 1.00 0.36 H new ATOM 0 HE2 PHE A 59 127.790 2.075 4.453 1.00 0.38 H new ATOM 0 HZ PHE A 59 129.525 1.393 2.819 1.00 0.36 H new ATOM 934 N ARG A 60 127.909 6.617 6.533 1.00 0.37 N ATOM 935 CA ARG A 60 126.443 6.619 6.274 1.00 0.38 C ATOM 936 C ARG A 60 126.036 7.863 5.490 1.00 0.39 C ATOM 937 O ARG A 60 125.300 7.784 4.528 1.00 0.39 O ATOM 938 CB ARG A 60 125.683 6.582 7.604 1.00 0.42 C ATOM 939 CG ARG A 60 125.860 5.211 8.261 1.00 0.43 C ATOM 940 CD ARG A 60 125.037 5.150 9.552 1.00 0.50 C ATOM 941 NE ARG A 60 125.535 4.034 10.421 1.00 1.31 N ATOM 942 CZ ARG A 60 125.651 2.812 9.967 1.00 1.55 C ATOM 943 NH1 ARG A 60 125.138 2.478 8.814 1.00 1.16 N ATOM 944 NH2 ARG A 60 126.230 1.903 10.704 1.00 2.64 N ATOM 0 H ARG A 60 128.176 6.621 7.517 1.00 0.37 H new ATOM 0 HA ARG A 60 126.195 5.737 5.684 1.00 0.38 H new ATOM 0 HB2 ARG A 60 126.053 7.364 8.267 1.00 0.42 H new ATOM 0 HB3 ARG A 60 124.625 6.781 7.435 1.00 0.42 H new ATOM 0 HG2 ARG A 60 125.541 4.425 7.577 1.00 0.43 H new ATOM 0 HG3 ARG A 60 126.913 5.035 8.480 1.00 0.43 H new ATOM 0 HD2 ARG A 60 125.109 6.098 10.085 1.00 0.50 H new ATOM 0 HD3 ARG A 60 123.984 4.997 9.316 1.00 0.50 H new ATOM 0 HE ARG A 60 125.789 4.232 11.389 1.00 1.31 H new ATOM 0 HH11 ARG A 60 124.640 3.173 8.257 1.00 1.16 H new ATOM 0 HH12 ARG A 60 125.235 1.523 8.470 1.00 1.16 H new ATOM 0 HH21 ARG A 60 126.588 2.147 11.627 1.00 2.64 H new ATOM 0 HH22 ARG A 60 126.324 0.949 10.357 1.00 2.64 H new ATOM 958 N GLU A 61 126.506 9.016 5.879 1.00 0.41 N ATOM 959 CA GLU A 61 126.138 10.251 5.137 1.00 0.44 C ATOM 960 C GLU A 61 126.696 10.158 3.715 1.00 0.42 C ATOM 961 O GLU A 61 126.062 10.567 2.762 1.00 0.42 O ATOM 962 CB GLU A 61 126.737 11.468 5.847 1.00 0.48 C ATOM 963 CG GLU A 61 126.014 11.699 7.174 1.00 1.29 C ATOM 964 CD GLU A 61 126.667 12.869 7.912 1.00 1.76 C ATOM 965 OE1 GLU A 61 127.699 13.331 7.454 1.00 2.37 O ATOM 966 OE2 GLU A 61 126.126 13.280 8.924 1.00 2.32 O ATOM 0 H GLU A 61 127.127 9.155 6.676 1.00 0.41 H new ATOM 0 HA GLU A 61 125.054 10.355 5.101 1.00 0.44 H new ATOM 0 HB2 GLU A 61 127.801 11.310 6.024 1.00 0.48 H new ATOM 0 HB3 GLU A 61 126.647 12.351 5.214 1.00 0.48 H new ATOM 0 HG2 GLU A 61 124.960 11.911 6.994 1.00 1.29 H new ATOM 0 HG3 GLU A 61 126.058 10.798 7.786 1.00 1.29 H new ATOM 973 N TRP A 62 127.874 9.618 3.563 1.00 0.40 N ATOM 974 CA TRP A 62 128.464 9.495 2.200 1.00 0.38 C ATOM 975 C TRP A 62 127.653 8.507 1.354 1.00 0.36 C ATOM 976 O TRP A 62 127.348 8.762 0.208 1.00 0.36 O ATOM 977 CB TRP A 62 129.914 8.996 2.312 1.00 0.38 C ATOM 978 CG TRP A 62 130.416 8.570 0.961 1.00 0.36 C ATOM 979 CD1 TRP A 62 131.020 9.378 0.060 1.00 0.38 C ATOM 980 CD2 TRP A 62 130.345 7.249 0.346 1.00 0.34 C ATOM 981 NE1 TRP A 62 131.329 8.634 -1.069 1.00 0.37 N ATOM 982 CE2 TRP A 62 130.933 7.316 -0.940 1.00 0.35 C ATOM 983 CE3 TRP A 62 129.836 6.011 0.777 1.00 0.32 C ATOM 984 CZ2 TRP A 62 131.011 6.192 -1.769 1.00 0.34 C ATOM 985 CZ3 TRP A 62 129.914 4.879 -0.053 1.00 0.31 C ATOM 986 CH2 TRP A 62 130.500 4.970 -1.323 1.00 0.32 C ATOM 0 H TRP A 62 128.452 9.257 4.322 1.00 0.40 H new ATOM 0 HA TRP A 62 128.444 10.473 1.719 1.00 0.38 H new ATOM 0 HB2 TRP A 62 130.549 9.786 2.713 1.00 0.38 H new ATOM 0 HB3 TRP A 62 129.967 8.160 3.009 1.00 0.38 H new ATOM 0 HD1 TRP A 62 131.227 10.429 0.197 1.00 0.38 H new ATOM 0 HE1 TRP A 62 131.792 9.014 -1.895 1.00 0.37 H new ATOM 0 HE3 TRP A 62 129.382 5.929 1.753 1.00 0.32 H new ATOM 0 HZ2 TRP A 62 131.463 6.268 -2.747 1.00 0.34 H new ATOM 0 HZ3 TRP A 62 129.520 3.934 0.290 1.00 0.31 H new ATOM 0 HH2 TRP A 62 130.557 4.097 -1.956 1.00 0.32 H new ATOM 997 N LEU A 63 127.307 7.382 1.908 1.00 0.34 N ATOM 998 CA LEU A 63 126.527 6.378 1.133 1.00 0.32 C ATOM 999 C LEU A 63 125.137 6.925 0.818 1.00 0.33 C ATOM 1000 O LEU A 63 124.678 6.878 -0.304 1.00 0.32 O ATOM 1001 CB LEU A 63 126.402 5.094 1.964 1.00 0.31 C ATOM 1002 CG LEU A 63 125.532 4.063 1.232 1.00 0.31 C ATOM 1003 CD1 LEU A 63 126.156 3.700 -0.123 1.00 0.30 C ATOM 1004 CD2 LEU A 63 125.409 2.808 2.101 1.00 0.32 C ATOM 0 H LEU A 63 127.530 7.112 2.866 1.00 0.34 H new ATOM 0 HA LEU A 63 127.040 6.163 0.195 1.00 0.32 H new ATOM 0 HB2 LEU A 63 127.392 4.677 2.151 1.00 0.31 H new ATOM 0 HB3 LEU A 63 125.964 5.324 2.936 1.00 0.31 H new ATOM 0 HG LEU A 63 124.544 4.488 1.053 1.00 0.31 H new ATOM 0 HD11 LEU A 63 125.527 2.968 -0.629 1.00 0.30 H new ATOM 0 HD12 LEU A 63 126.237 4.596 -0.738 1.00 0.30 H new ATOM 0 HD13 LEU A 63 127.148 3.278 0.035 1.00 0.30 H new ATOM 0 HD21 LEU A 63 124.792 2.070 1.589 1.00 0.32 H new ATOM 0 HD22 LEU A 63 126.400 2.391 2.281 1.00 0.32 H new ATOM 0 HD23 LEU A 63 124.947 3.069 3.053 1.00 0.32 H new ATOM 1016 N LYS A 64 124.463 7.444 1.801 1.00 0.35 N ATOM 1017 CA LYS A 64 123.103 7.994 1.556 1.00 0.37 C ATOM 1018 C LYS A 64 123.199 9.152 0.565 1.00 0.39 C ATOM 1019 O LYS A 64 122.425 9.261 -0.364 1.00 0.39 O ATOM 1020 CB LYS A 64 122.491 8.481 2.871 1.00 0.41 C ATOM 1021 CG LYS A 64 121.045 8.922 2.624 1.00 0.43 C ATOM 1022 CD LYS A 64 120.428 9.409 3.933 1.00 0.68 C ATOM 1023 CE LYS A 64 118.978 9.832 3.686 1.00 1.25 C ATOM 1024 NZ LYS A 64 118.186 8.651 3.236 1.00 2.11 N ATOM 0 H LYS A 64 124.794 7.512 2.764 1.00 0.35 H new ATOM 0 HA LYS A 64 122.465 7.213 1.141 1.00 0.37 H new ATOM 0 HB2 LYS A 64 122.518 7.685 3.615 1.00 0.41 H new ATOM 0 HB3 LYS A 64 123.073 9.311 3.271 1.00 0.41 H new ATOM 0 HG2 LYS A 64 121.019 9.718 1.880 1.00 0.43 H new ATOM 0 HG3 LYS A 64 120.464 8.091 2.223 1.00 0.43 H new ATOM 0 HD2 LYS A 64 120.465 8.618 4.682 1.00 0.68 H new ATOM 0 HD3 LYS A 64 121.001 10.248 4.328 1.00 0.68 H new ATOM 0 HE2 LYS A 64 118.548 10.246 4.598 1.00 1.25 H new ATOM 0 HE3 LYS A 64 118.941 10.618 2.931 1.00 1.25 H new ATOM 0 HZ1 LYS A 64 117.280 8.626 3.746 1.00 2.11 H new ATOM 0 HZ2 LYS A 64 118.006 8.722 2.214 1.00 2.11 H new ATOM 0 HZ3 LYS A 64 118.719 7.780 3.434 1.00 2.11 H new ATOM 1038 N ASP A 65 124.156 10.014 0.760 1.00 0.41 N ATOM 1039 CA ASP A 65 124.326 11.170 -0.162 1.00 0.45 C ATOM 1040 C ASP A 65 124.813 10.677 -1.523 1.00 0.43 C ATOM 1041 O ASP A 65 124.521 11.262 -2.547 1.00 0.46 O ATOM 1042 CB ASP A 65 125.352 12.145 0.416 1.00 0.49 C ATOM 1043 CG ASP A 65 125.421 13.392 -0.469 1.00 1.17 C ATOM 1044 OD1 ASP A 65 125.892 13.272 -1.587 1.00 1.90 O ATOM 1045 OD2 ASP A 65 125.002 14.444 -0.012 1.00 1.42 O ATOM 0 H ASP A 65 124.832 9.967 1.523 1.00 0.41 H new ATOM 0 HA ASP A 65 123.367 11.675 -0.278 1.00 0.45 H new ATOM 0 HB2 ASP A 65 125.074 12.422 1.433 1.00 0.49 H new ATOM 0 HB3 ASP A 65 126.331 11.670 0.471 1.00 0.49 H new ATOM 1050 N THR A 66 125.586 9.626 -1.542 1.00 0.40 N ATOM 1051 CA THR A 66 126.128 9.124 -2.834 1.00 0.39 C ATOM 1052 C THR A 66 125.087 8.293 -3.590 1.00 0.39 C ATOM 1053 O THR A 66 125.106 8.269 -4.804 1.00 0.41 O ATOM 1054 CB THR A 66 127.374 8.274 -2.573 1.00 0.38 C ATOM 1055 OG1 THR A 66 128.340 9.057 -1.888 1.00 0.37 O ATOM 1056 CG2 THR A 66 127.959 7.804 -3.903 1.00 0.39 C ATOM 0 H THR A 66 125.865 9.094 -0.718 1.00 0.40 H new ATOM 0 HA THR A 66 126.388 9.984 -3.451 1.00 0.39 H new ATOM 0 HB THR A 66 127.104 7.409 -1.968 1.00 0.38 H new ATOM 0 HG1 THR A 66 128.270 8.894 -0.924 1.00 0.37 H new ATOM 0 HG21 THR A 66 128.846 7.199 -3.717 1.00 0.39 H new ATOM 0 HG22 THR A 66 127.218 7.208 -4.436 1.00 0.39 H new ATOM 0 HG23 THR A 66 128.231 8.670 -4.507 1.00 0.39 H new ATOM 1064 N CYS A 67 124.202 7.585 -2.920 1.00 0.37 N ATOM 1065 CA CYS A 67 123.199 6.738 -3.659 1.00 0.38 C ATOM 1066 C CYS A 67 121.772 6.940 -3.134 1.00 0.37 C ATOM 1067 O CYS A 67 120.813 6.798 -3.868 1.00 0.40 O ATOM 1068 CB CYS A 67 123.576 5.266 -3.499 1.00 0.37 C ATOM 1069 SG CYS A 67 123.336 4.764 -1.777 1.00 0.36 S ATOM 0 H CYS A 67 124.130 7.556 -1.903 1.00 0.37 H new ATOM 0 HA CYS A 67 123.219 7.039 -4.706 1.00 0.38 H new ATOM 0 HB2 CYS A 67 122.964 4.649 -4.157 1.00 0.37 H new ATOM 0 HB3 CYS A 67 124.614 5.112 -3.792 1.00 0.37 H new ATOM 0 HG CYS A 67 124.069 5.507 -1.002 1.00 0.36 H new ATOM 1075 N GLY A 68 121.618 7.253 -1.870 1.00 0.36 N ATOM 1076 CA GLY A 68 120.246 7.450 -1.293 1.00 0.36 C ATOM 1077 C GLY A 68 119.887 6.242 -0.425 1.00 0.34 C ATOM 1078 O GLY A 68 118.743 6.039 -0.071 1.00 0.34 O ATOM 0 H GLY A 68 122.384 7.381 -1.209 1.00 0.36 H new ATOM 0 HA2 GLY A 68 120.216 8.362 -0.697 1.00 0.36 H new ATOM 0 HA3 GLY A 68 119.515 7.568 -2.093 1.00 0.36 H new ATOM 1082 N ALA A 69 120.855 5.437 -0.074 1.00 0.33 N ATOM 1083 CA ALA A 69 120.563 4.246 0.773 1.00 0.32 C ATOM 1084 C ALA A 69 119.739 4.674 1.987 1.00 0.31 C ATOM 1085 O ALA A 69 119.806 5.805 2.427 1.00 0.32 O ATOM 1086 CB ALA A 69 121.877 3.624 1.252 1.00 0.32 C ATOM 0 H ALA A 69 121.834 5.553 -0.337 1.00 0.33 H new ATOM 0 HA ALA A 69 120.004 3.516 0.188 1.00 0.32 H new ATOM 0 HB1 ALA A 69 121.663 2.753 1.871 1.00 0.32 H new ATOM 0 HB2 ALA A 69 122.471 3.319 0.390 1.00 0.32 H new ATOM 0 HB3 ALA A 69 122.435 4.356 1.836 1.00 0.32 H new ATOM 1092 N ASN A 70 118.951 3.786 2.529 1.00 0.30 N ATOM 1093 CA ASN A 70 118.114 4.148 3.708 1.00 0.30 C ATOM 1094 C ASN A 70 118.871 3.822 4.994 1.00 0.30 C ATOM 1095 O ASN A 70 119.951 3.270 4.972 1.00 0.29 O ATOM 1096 CB ASN A 70 116.814 3.345 3.672 1.00 0.30 C ATOM 1097 CG ASN A 70 115.986 3.772 2.457 1.00 1.06 C ATOM 1098 OD1 ASN A 70 115.364 2.952 1.812 1.00 1.90 O ATOM 1099 ND2 ASN A 70 115.955 5.032 2.116 1.00 1.77 N ATOM 0 H ASN A 70 118.851 2.824 2.206 1.00 0.30 H new ATOM 0 HA ASN A 70 117.890 5.214 3.678 1.00 0.30 H new ATOM 0 HB2 ASN A 70 117.034 2.279 3.620 1.00 0.30 H new ATOM 0 HB3 ASN A 70 116.247 3.509 4.588 1.00 0.30 H new ATOM 0 HD21 ASN A 70 115.408 5.328 1.308 1.00 1.77 H new ATOM 0 HD22 ASN A 70 116.478 5.720 2.658 1.00 1.77 H new ATOM 1106 N ALA A 71 118.310 4.171 6.115 1.00 0.32 N ATOM 1107 CA ALA A 71 118.988 3.901 7.413 1.00 0.34 C ATOM 1108 C ALA A 71 119.217 2.398 7.584 1.00 0.32 C ATOM 1109 O ALA A 71 120.220 1.975 8.115 1.00 0.32 O ATOM 1110 CB ALA A 71 118.110 4.412 8.557 1.00 0.39 C ATOM 0 H ALA A 71 117.405 4.635 6.190 1.00 0.32 H new ATOM 0 HA ALA A 71 119.951 4.412 7.426 1.00 0.34 H new ATOM 0 HB1 ALA A 71 118.603 4.216 9.509 1.00 0.39 H new ATOM 0 HB2 ALA A 71 117.953 5.485 8.444 1.00 0.39 H new ATOM 0 HB3 ALA A 71 117.148 3.900 8.534 1.00 0.39 H new ATOM 1116 N LYS A 72 118.296 1.588 7.142 1.00 0.30 N ATOM 1117 CA LYS A 72 118.479 0.116 7.296 1.00 0.29 C ATOM 1118 C LYS A 72 119.528 -0.387 6.304 1.00 0.27 C ATOM 1119 O LYS A 72 120.334 -1.240 6.618 1.00 0.27 O ATOM 1120 CB LYS A 72 117.150 -0.606 7.055 1.00 0.29 C ATOM 1121 CG LYS A 72 116.098 -0.131 8.070 1.00 1.18 C ATOM 1122 CD LYS A 72 116.508 -0.536 9.496 1.00 1.29 C ATOM 1123 CE LYS A 72 115.281 -0.530 10.414 1.00 2.11 C ATOM 1124 NZ LYS A 72 114.469 -1.755 10.162 1.00 2.58 N ATOM 0 H LYS A 72 117.431 1.877 6.685 1.00 0.30 H new ATOM 0 HA LYS A 72 118.819 -0.092 8.311 1.00 0.29 H new ATOM 0 HB2 LYS A 72 116.801 -0.413 6.041 1.00 0.29 H new ATOM 0 HB3 LYS A 72 117.291 -1.683 7.143 1.00 0.29 H new ATOM 0 HG2 LYS A 72 115.988 0.952 8.010 1.00 1.18 H new ATOM 0 HG3 LYS A 72 115.128 -0.564 7.827 1.00 1.18 H new ATOM 0 HD2 LYS A 72 116.960 -1.528 9.486 1.00 1.29 H new ATOM 0 HD3 LYS A 72 117.261 0.154 9.877 1.00 1.29 H new ATOM 0 HE2 LYS A 72 115.594 -0.496 11.458 1.00 2.11 H new ATOM 0 HE3 LYS A 72 114.681 0.362 10.232 1.00 2.11 H new ATOM 0 HZ1 LYS A 72 113.813 -1.906 10.955 1.00 2.58 H new ATOM 0 HZ2 LYS A 72 113.927 -1.638 9.282 1.00 2.58 H new ATOM 0 HZ3 LYS A 72 115.100 -2.577 10.073 1.00 2.58 H new ATOM 1138 N GLN A 73 119.513 0.122 5.101 1.00 0.26 N ATOM 1139 CA GLN A 73 120.491 -0.335 4.075 1.00 0.25 C ATOM 1140 C GLN A 73 121.906 0.079 4.463 1.00 0.25 C ATOM 1141 O GLN A 73 122.859 -0.640 4.232 1.00 0.25 O ATOM 1142 CB GLN A 73 120.129 0.276 2.720 1.00 0.26 C ATOM 1143 CG GLN A 73 118.836 -0.363 2.204 1.00 0.29 C ATOM 1144 CD GLN A 73 118.391 0.339 0.920 1.00 1.24 C ATOM 1145 OE1 GLN A 73 118.769 1.466 0.666 1.00 2.12 O ATOM 1146 NE2 GLN A 73 117.597 -0.285 0.094 1.00 1.88 N ATOM 0 H GLN A 73 118.860 0.839 4.784 1.00 0.26 H new ATOM 0 HA GLN A 73 120.452 -1.422 4.011 1.00 0.25 H new ATOM 0 HB2 GLN A 73 120.001 1.354 2.817 1.00 0.26 H new ATOM 0 HB3 GLN A 73 120.938 0.114 2.007 1.00 0.26 H new ATOM 0 HG2 GLN A 73 118.994 -1.424 2.013 1.00 0.29 H new ATOM 0 HG3 GLN A 73 118.055 -0.288 2.960 1.00 0.29 H new ATOM 0 HE21 GLN A 73 117.280 -1.231 0.308 1.00 1.88 H new ATOM 0 HE22 GLN A 73 117.293 0.173 -0.765 1.00 1.88 H new ATOM 1155 N SER A 74 122.060 1.237 5.040 1.00 0.26 N ATOM 1156 CA SER A 74 123.419 1.693 5.429 1.00 0.27 C ATOM 1157 C SER A 74 123.946 0.842 6.585 1.00 0.26 C ATOM 1158 O SER A 74 125.119 0.530 6.646 1.00 0.26 O ATOM 1159 CB SER A 74 123.357 3.159 5.854 1.00 0.30 C ATOM 1160 OG SER A 74 122.891 3.242 7.194 1.00 1.36 O ATOM 0 H SER A 74 121.304 1.886 5.258 1.00 0.26 H new ATOM 0 HA SER A 74 124.092 1.587 4.578 1.00 0.27 H new ATOM 0 HB2 SER A 74 124.343 3.615 5.771 1.00 0.30 H new ATOM 0 HB3 SER A 74 122.693 3.714 5.191 1.00 0.30 H new ATOM 0 HG SER A 74 122.039 2.765 7.274 1.00 1.36 H new ATOM 1166 N ARG A 75 123.102 0.457 7.505 1.00 0.27 N ATOM 1167 CA ARG A 75 123.574 -0.378 8.645 1.00 0.28 C ATOM 1168 C ARG A 75 124.160 -1.684 8.118 1.00 0.26 C ATOM 1169 O ARG A 75 125.128 -2.190 8.652 1.00 0.27 O ATOM 1170 CB ARG A 75 122.407 -0.659 9.595 1.00 0.30 C ATOM 1171 CG ARG A 75 122.053 0.629 10.342 1.00 0.33 C ATOM 1172 CD ARG A 75 120.789 0.417 11.177 1.00 0.61 C ATOM 1173 NE ARG A 75 120.496 1.663 11.942 1.00 1.34 N ATOM 1174 CZ ARG A 75 119.328 1.828 12.502 1.00 1.81 C ATOM 1175 NH1 ARG A 75 118.415 0.903 12.388 1.00 1.88 N ATOM 1176 NH2 ARG A 75 119.074 2.917 13.174 1.00 2.80 N ATOM 0 H ARG A 75 122.108 0.685 7.515 1.00 0.27 H new ATOM 0 HA ARG A 75 124.350 0.157 9.192 1.00 0.28 H new ATOM 0 HB2 ARG A 75 121.544 -1.019 9.035 1.00 0.30 H new ATOM 0 HB3 ARG A 75 122.678 -1.443 10.303 1.00 0.30 H new ATOM 0 HG2 ARG A 75 122.880 0.924 10.987 1.00 0.33 H new ATOM 0 HG3 ARG A 75 121.898 1.441 9.631 1.00 0.33 H new ATOM 0 HD2 ARG A 75 119.948 0.166 10.530 1.00 0.61 H new ATOM 0 HD3 ARG A 75 120.926 -0.421 11.861 1.00 0.61 H new ATOM 0 HE ARG A 75 121.209 2.387 12.028 1.00 1.34 H new ATOM 0 HH11 ARG A 75 118.614 0.052 11.862 1.00 1.88 H new ATOM 0 HH12 ARG A 75 117.502 1.031 12.825 1.00 1.88 H new ATOM 0 HH21 ARG A 75 119.788 3.640 13.262 1.00 2.80 H new ATOM 0 HH22 ARG A 75 118.161 3.045 13.611 1.00 2.80 H new ATOM 1190 N ASP A 76 123.588 -2.256 7.093 1.00 0.25 N ATOM 1191 CA ASP A 76 124.123 -3.541 6.571 1.00 0.24 C ATOM 1192 C ASP A 76 125.508 -3.334 5.962 1.00 0.23 C ATOM 1193 O ASP A 76 126.390 -4.148 6.141 1.00 0.23 O ATOM 1194 CB ASP A 76 123.178 -4.085 5.497 1.00 0.24 C ATOM 1195 CG ASP A 76 121.875 -4.555 6.147 1.00 0.25 C ATOM 1196 OD1 ASP A 76 121.887 -4.799 7.342 1.00 0.40 O ATOM 1197 OD2 ASP A 76 120.890 -4.668 5.437 1.00 0.39 O ATOM 0 H ASP A 76 122.776 -1.888 6.597 1.00 0.25 H new ATOM 0 HA ASP A 76 124.200 -4.250 7.395 1.00 0.24 H new ATOM 0 HB2 ASP A 76 122.969 -3.312 4.758 1.00 0.24 H new ATOM 0 HB3 ASP A 76 123.651 -4.912 4.968 1.00 0.24 H new ATOM 1202 N CYS A 77 125.727 -2.257 5.256 1.00 0.22 N ATOM 1203 CA CYS A 77 127.076 -2.032 4.666 1.00 0.22 C ATOM 1204 C CYS A 77 128.095 -1.718 5.767 1.00 0.22 C ATOM 1205 O CYS A 77 129.214 -2.186 5.736 1.00 0.21 O ATOM 1206 CB CYS A 77 127.014 -0.855 3.685 1.00 0.23 C ATOM 1207 SG CYS A 77 126.166 -1.369 2.171 1.00 0.24 S ATOM 0 H CYS A 77 125.037 -1.531 5.064 1.00 0.22 H new ATOM 0 HA CYS A 77 127.386 -2.937 4.143 1.00 0.22 H new ATOM 0 HB2 CYS A 77 126.488 -0.016 4.141 1.00 0.23 H new ATOM 0 HB3 CYS A 77 128.021 -0.511 3.450 1.00 0.23 H new ATOM 0 HG CYS A 77 125.671 -2.560 2.334 1.00 0.24 H new ATOM 1213 N PHE A 78 127.742 -0.908 6.724 1.00 0.23 N ATOM 1214 CA PHE A 78 128.730 -0.563 7.780 1.00 0.25 C ATOM 1215 C PHE A 78 129.178 -1.825 8.512 1.00 0.24 C ATOM 1216 O PHE A 78 130.344 -2.163 8.523 1.00 0.23 O ATOM 1217 CB PHE A 78 128.090 0.415 8.763 1.00 0.29 C ATOM 1218 CG PHE A 78 129.087 0.802 9.831 1.00 0.32 C ATOM 1219 CD1 PHE A 78 130.003 1.837 9.595 1.00 0.36 C ATOM 1220 CD2 PHE A 78 129.086 0.138 11.061 1.00 0.38 C ATOM 1221 CE1 PHE A 78 130.918 2.201 10.589 1.00 0.41 C ATOM 1222 CE2 PHE A 78 130.002 0.505 12.054 1.00 0.43 C ATOM 1223 CZ PHE A 78 130.916 1.535 11.817 1.00 0.43 C ATOM 0 H PHE A 78 126.824 -0.475 6.820 1.00 0.23 H new ATOM 0 HA PHE A 78 129.604 -0.100 7.323 1.00 0.25 H new ATOM 0 HB2 PHE A 78 127.749 1.304 8.233 1.00 0.29 H new ATOM 0 HB3 PHE A 78 127.212 -0.040 9.221 1.00 0.29 H new ATOM 0 HD1 PHE A 78 130.002 2.353 8.646 1.00 0.36 H new ATOM 0 HD2 PHE A 78 128.379 -0.658 11.245 1.00 0.38 H new ATOM 0 HE1 PHE A 78 131.625 2.996 10.407 1.00 0.41 H new ATOM 0 HE2 PHE A 78 130.002 -0.008 13.004 1.00 0.43 H new ATOM 0 HZ PHE A 78 131.622 1.817 12.584 1.00 0.43 H new ATOM 1233 N GLY A 79 128.264 -2.524 9.128 1.00 0.25 N ATOM 1234 CA GLY A 79 128.636 -3.764 9.863 1.00 0.26 C ATOM 1235 C GLY A 79 129.205 -4.805 8.896 1.00 0.24 C ATOM 1236 O GLY A 79 130.091 -5.558 9.237 1.00 0.24 O ATOM 0 H GLY A 79 127.272 -2.288 9.153 1.00 0.25 H new ATOM 0 HA2 GLY A 79 129.372 -3.532 10.632 1.00 0.26 H new ATOM 0 HA3 GLY A 79 127.761 -4.170 10.371 1.00 0.26 H new ATOM 1240 N CYS A 80 128.714 -4.858 7.692 1.00 0.22 N ATOM 1241 CA CYS A 80 129.252 -5.864 6.730 1.00 0.22 C ATOM 1242 C CYS A 80 130.667 -5.473 6.311 1.00 0.22 C ATOM 1243 O CYS A 80 131.575 -6.281 6.344 1.00 0.23 O ATOM 1244 CB CYS A 80 128.351 -5.939 5.499 1.00 0.22 C ATOM 1245 SG CYS A 80 129.030 -7.142 4.327 1.00 0.25 S ATOM 0 H CYS A 80 127.972 -4.257 7.332 1.00 0.22 H new ATOM 0 HA CYS A 80 129.278 -6.841 7.213 1.00 0.22 H new ATOM 0 HB2 CYS A 80 127.342 -6.229 5.791 1.00 0.22 H new ATOM 0 HB3 CYS A 80 128.277 -4.958 5.029 1.00 0.22 H new ATOM 0 HG CYS A 80 129.095 -6.607 3.144 1.00 0.25 H new ATOM 1251 N LEU A 81 130.880 -4.240 5.944 1.00 0.21 N ATOM 1252 CA LEU A 81 132.259 -3.834 5.563 1.00 0.21 C ATOM 1253 C LEU A 81 133.124 -3.820 6.827 1.00 0.22 C ATOM 1254 O LEU A 81 134.268 -4.231 6.809 1.00 0.22 O ATOM 1255 CB LEU A 81 132.237 -2.435 4.940 1.00 0.22 C ATOM 1256 CG LEU A 81 131.411 -2.443 3.643 1.00 0.24 C ATOM 1257 CD1 LEU A 81 131.311 -1.011 3.105 1.00 0.30 C ATOM 1258 CD2 LEU A 81 132.078 -3.347 2.587 1.00 0.28 C ATOM 0 H LEU A 81 130.172 -3.508 5.892 1.00 0.21 H new ATOM 0 HA LEU A 81 132.666 -4.535 4.835 1.00 0.21 H new ATOM 0 HB2 LEU A 81 131.812 -1.722 5.646 1.00 0.22 H new ATOM 0 HB3 LEU A 81 133.255 -2.107 4.729 1.00 0.22 H new ATOM 0 HG LEU A 81 130.415 -2.832 3.855 1.00 0.24 H new ATOM 0 HD11 LEU A 81 130.727 -1.008 2.185 1.00 0.30 H new ATOM 0 HD12 LEU A 81 130.824 -0.377 3.846 1.00 0.30 H new ATOM 0 HD13 LEU A 81 132.311 -0.628 2.901 1.00 0.30 H new ATOM 0 HD21 LEU A 81 131.481 -3.342 1.675 1.00 0.28 H new ATOM 0 HD22 LEU A 81 133.078 -2.974 2.368 1.00 0.28 H new ATOM 0 HD23 LEU A 81 132.146 -4.365 2.970 1.00 0.28 H new ATOM 1270 N ARG A 82 132.587 -3.352 7.926 1.00 0.22 N ATOM 1271 CA ARG A 82 133.384 -3.320 9.186 1.00 0.24 C ATOM 1272 C ARG A 82 133.780 -4.742 9.574 1.00 0.25 C ATOM 1273 O ARG A 82 134.881 -4.987 10.023 1.00 0.26 O ATOM 1274 CB ARG A 82 132.559 -2.700 10.313 1.00 0.28 C ATOM 1275 CG ARG A 82 133.459 -2.484 11.535 1.00 0.33 C ATOM 1276 CD ARG A 82 132.658 -1.848 12.682 1.00 0.84 C ATOM 1277 NE ARG A 82 133.554 -0.945 13.472 1.00 1.41 N ATOM 1278 CZ ARG A 82 134.723 -1.350 13.890 1.00 1.95 C ATOM 1279 NH1 ARG A 82 135.048 -2.608 13.816 1.00 2.25 N ATOM 1280 NH2 ARG A 82 135.545 -0.499 14.440 1.00 2.73 N ATOM 0 H ARG A 82 131.636 -2.993 8.003 1.00 0.22 H new ATOM 0 HA ARG A 82 134.279 -2.719 9.025 1.00 0.24 H new ATOM 0 HB2 ARG A 82 132.132 -1.751 9.988 1.00 0.28 H new ATOM 0 HB3 ARG A 82 131.725 -3.353 10.571 1.00 0.28 H new ATOM 0 HG2 ARG A 82 133.878 -3.437 11.859 1.00 0.33 H new ATOM 0 HG3 ARG A 82 134.298 -1.841 11.268 1.00 0.33 H new ATOM 0 HD2 ARG A 82 131.815 -1.284 12.283 1.00 0.84 H new ATOM 0 HD3 ARG A 82 132.245 -2.624 13.327 1.00 0.84 H new ATOM 0 HE ARG A 82 133.246 0.003 13.687 1.00 1.41 H new ATOM 0 HH11 ARG A 82 134.388 -3.283 13.430 1.00 2.25 H new ATOM 0 HH12 ARG A 82 135.963 -2.919 14.144 1.00 2.25 H new ATOM 0 HH21 ARG A 82 135.274 0.479 14.542 1.00 2.73 H new ATOM 0 HH22 ARG A 82 136.459 -0.812 14.768 1.00 2.73 H new ATOM 1294 N GLU A 83 132.889 -5.682 9.412 1.00 0.25 N ATOM 1295 CA GLU A 83 133.212 -7.087 9.775 1.00 0.28 C ATOM 1296 C GLU A 83 134.255 -7.647 8.808 1.00 0.27 C ATOM 1297 O GLU A 83 135.144 -8.372 9.209 1.00 0.29 O ATOM 1298 CB GLU A 83 131.938 -7.935 9.728 1.00 0.30 C ATOM 1299 CG GLU A 83 131.080 -7.641 10.964 1.00 0.33 C ATOM 1300 CD GLU A 83 131.732 -8.259 12.200 1.00 1.19 C ATOM 1301 OE1 GLU A 83 132.373 -9.286 12.055 1.00 1.91 O ATOM 1302 OE2 GLU A 83 131.581 -7.692 13.269 1.00 1.56 O ATOM 0 H GLU A 83 131.950 -5.535 9.043 1.00 0.25 H new ATOM 0 HA GLU A 83 133.621 -7.115 10.785 1.00 0.28 H new ATOM 0 HB2 GLU A 83 131.375 -7.714 8.821 1.00 0.30 H new ATOM 0 HB3 GLU A 83 132.195 -8.994 9.694 1.00 0.30 H new ATOM 0 HG2 GLU A 83 130.973 -6.564 11.097 1.00 0.33 H new ATOM 0 HG3 GLU A 83 130.078 -8.047 10.828 1.00 0.33 H new ATOM 1309 N TRP A 84 134.190 -7.308 7.543 1.00 0.25 N ATOM 1310 CA TRP A 84 135.219 -7.823 6.600 1.00 0.25 C ATOM 1311 C TRP A 84 136.571 -7.330 7.105 1.00 0.27 C ATOM 1312 O TRP A 84 137.532 -8.069 7.182 1.00 0.28 O ATOM 1313 CB TRP A 84 134.972 -7.272 5.190 1.00 0.25 C ATOM 1314 CG TRP A 84 135.887 -7.953 4.221 1.00 0.27 C ATOM 1315 CD1 TRP A 84 135.592 -9.094 3.554 1.00 0.30 C ATOM 1316 CD2 TRP A 84 137.224 -7.563 3.787 1.00 0.30 C ATOM 1317 NE1 TRP A 84 136.666 -9.438 2.757 1.00 0.33 N ATOM 1318 CE2 TRP A 84 137.695 -8.525 2.861 1.00 0.32 C ATOM 1319 CE3 TRP A 84 138.067 -6.485 4.106 1.00 0.31 C ATOM 1320 CZ2 TRP A 84 138.953 -8.423 2.272 1.00 0.36 C ATOM 1321 CZ3 TRP A 84 139.337 -6.375 3.512 1.00 0.35 C ATOM 1322 CH2 TRP A 84 139.780 -7.344 2.596 1.00 0.37 C ATOM 0 H TRP A 84 133.478 -6.705 7.131 1.00 0.25 H new ATOM 0 HA TRP A 84 135.183 -8.911 6.552 1.00 0.25 H new ATOM 0 HB2 TRP A 84 133.933 -7.434 4.901 1.00 0.25 H new ATOM 0 HB3 TRP A 84 135.143 -6.196 5.173 1.00 0.25 H new ATOM 0 HD1 TRP A 84 134.667 -9.646 3.633 1.00 0.30 H new ATOM 0 HE1 TRP A 84 136.695 -10.267 2.163 1.00 0.33 H new ATOM 0 HE3 TRP A 84 137.738 -5.737 4.811 1.00 0.31 H new ATOM 0 HZ2 TRP A 84 139.287 -9.172 1.570 1.00 0.36 H new ATOM 0 HZ3 TRP A 84 139.976 -5.541 3.761 1.00 0.35 H new ATOM 0 HH2 TRP A 84 140.757 -7.255 2.144 1.00 0.37 H new ATOM 1333 N CYS A 85 136.640 -6.079 7.457 1.00 0.27 N ATOM 1334 CA CYS A 85 137.914 -5.512 7.972 1.00 0.30 C ATOM 1335 C CYS A 85 138.313 -6.240 9.260 1.00 0.33 C ATOM 1336 O CYS A 85 139.465 -6.561 9.472 1.00 0.36 O ATOM 1337 CB CYS A 85 137.710 -4.021 8.257 1.00 0.33 C ATOM 1338 SG CYS A 85 137.788 -3.098 6.702 1.00 0.33 S ATOM 0 H CYS A 85 135.863 -5.420 7.410 1.00 0.27 H new ATOM 0 HA CYS A 85 138.706 -5.639 7.234 1.00 0.30 H new ATOM 0 HB2 CYS A 85 136.747 -3.860 8.741 1.00 0.33 H new ATOM 0 HB3 CYS A 85 138.476 -3.662 8.945 1.00 0.33 H new ATOM 0 HG CYS A 85 137.613 -1.832 6.940 1.00 0.33 H new ATOM 1344 N ASP A 86 137.366 -6.510 10.119 1.00 0.34 N ATOM 1345 CA ASP A 86 137.684 -7.223 11.392 1.00 0.39 C ATOM 1346 C ASP A 86 138.284 -8.598 11.085 1.00 0.41 C ATOM 1347 O ASP A 86 139.164 -9.068 11.777 1.00 0.43 O ATOM 1348 CB ASP A 86 136.412 -7.396 12.225 1.00 0.41 C ATOM 1349 CG ASP A 86 135.964 -6.035 12.760 1.00 0.42 C ATOM 1350 OD1 ASP A 86 136.750 -5.404 13.449 1.00 0.55 O ATOM 1351 OD2 ASP A 86 134.847 -5.642 12.467 1.00 0.51 O ATOM 0 H ASP A 86 136.383 -6.267 9.994 1.00 0.34 H new ATOM 0 HA ASP A 86 138.406 -6.632 11.955 1.00 0.39 H new ATOM 0 HB2 ASP A 86 135.623 -7.837 11.616 1.00 0.41 H new ATOM 0 HB3 ASP A 86 136.597 -8.081 13.052 1.00 0.41 H new ATOM 1356 N ALA A 87 137.804 -9.258 10.064 1.00 0.41 N ATOM 1357 CA ALA A 87 138.338 -10.612 9.731 1.00 0.43 C ATOM 1358 C ALA A 87 139.575 -10.479 8.838 1.00 0.43 C ATOM 1359 O ALA A 87 140.499 -11.262 8.931 1.00 0.48 O ATOM 1360 CB ALA A 87 137.262 -11.414 8.992 1.00 0.41 C ATOM 0 H ALA A 87 137.066 -8.919 9.447 1.00 0.41 H new ATOM 0 HA ALA A 87 138.614 -11.126 10.652 1.00 0.43 H new ATOM 0 HB1 ALA A 87 137.649 -12.403 8.748 1.00 0.41 H new ATOM 0 HB2 ALA A 87 136.383 -11.515 9.628 1.00 0.41 H new ATOM 0 HB3 ALA A 87 136.988 -10.895 8.074 1.00 0.41 H new ATOM 1366 N PHE A 88 139.588 -9.510 7.955 1.00 0.40 N ATOM 1367 CA PHE A 88 140.753 -9.345 7.030 1.00 0.44 C ATOM 1368 C PHE A 88 141.606 -8.152 7.456 1.00 0.54 C ATOM 1369 O PHE A 88 142.570 -8.293 8.183 1.00 1.24 O ATOM 1370 CB PHE A 88 140.237 -9.095 5.612 1.00 0.41 C ATOM 1371 CG PHE A 88 139.640 -10.364 5.054 1.00 0.39 C ATOM 1372 CD1 PHE A 88 140.450 -11.263 4.354 1.00 0.44 C ATOM 1373 CD2 PHE A 88 138.279 -10.639 5.230 1.00 0.35 C ATOM 1374 CE1 PHE A 88 139.901 -12.438 3.829 1.00 0.47 C ATOM 1375 CE2 PHE A 88 137.730 -11.813 4.704 1.00 0.40 C ATOM 1376 CZ PHE A 88 138.539 -12.713 4.004 1.00 0.45 C ATOM 0 H PHE A 88 138.841 -8.826 7.835 1.00 0.40 H new ATOM 0 HA PHE A 88 141.358 -10.251 7.063 1.00 0.44 H new ATOM 0 HB2 PHE A 88 139.488 -8.304 5.622 1.00 0.41 H new ATOM 0 HB3 PHE A 88 141.052 -8.754 4.973 1.00 0.41 H new ATOM 0 HD1 PHE A 88 141.500 -11.050 4.218 1.00 0.44 H new ATOM 0 HD2 PHE A 88 137.653 -9.945 5.772 1.00 0.35 H new ATOM 0 HE1 PHE A 88 140.527 -13.133 3.289 1.00 0.47 H new ATOM 0 HE2 PHE A 88 136.680 -12.025 4.839 1.00 0.40 H new ATOM 0 HZ PHE A 88 138.114 -13.619 3.599 1.00 0.45 H new ATOM 1454 N SER B 4 163.208 -2.080 1.482 1.00 0.63 N ATOM 1455 CA SER B 4 163.726 -2.355 2.857 1.00 0.62 C ATOM 1456 C SER B 4 162.900 -3.475 3.492 1.00 0.60 C ATOM 1457 O SER B 4 161.963 -3.984 2.909 1.00 0.58 O ATOM 1458 CB SER B 4 163.611 -1.094 3.715 1.00 0.63 C ATOM 1459 OG SER B 4 164.349 -0.042 3.112 1.00 1.50 O ATOM 0 HA SER B 4 164.772 -2.655 2.796 1.00 0.62 H new ATOM 0 HB2 SER B 4 162.565 -0.806 3.818 1.00 0.63 H new ATOM 0 HB3 SER B 4 163.989 -1.289 4.719 1.00 0.63 H new ATOM 0 HG SER B 4 164.262 -0.098 2.137 1.00 1.50 H new ATOM 1465 N GLN B 5 163.265 -3.871 4.683 1.00 0.63 N ATOM 1466 CA GLN B 5 162.537 -4.971 5.380 1.00 0.64 C ATOM 1467 C GLN B 5 161.078 -4.582 5.626 1.00 0.60 C ATOM 1468 O GLN B 5 160.223 -5.429 5.792 1.00 0.60 O ATOM 1469 CB GLN B 5 163.218 -5.253 6.722 1.00 0.71 C ATOM 1470 CG GLN B 5 163.080 -4.033 7.636 1.00 1.34 C ATOM 1471 CD GLN B 5 163.960 -4.220 8.872 1.00 1.59 C ATOM 1472 OE1 GLN B 5 165.169 -4.138 8.788 1.00 2.09 O ATOM 1473 NE2 GLN B 5 163.401 -4.472 10.021 1.00 2.18 N ATOM 0 H GLN B 5 164.045 -3.475 5.208 1.00 0.63 H new ATOM 0 HA GLN B 5 162.560 -5.861 4.751 1.00 0.64 H new ATOM 0 HB2 GLN B 5 162.767 -6.126 7.194 1.00 0.71 H new ATOM 0 HB3 GLN B 5 164.271 -5.485 6.565 1.00 0.71 H new ATOM 0 HG2 GLN B 5 163.373 -3.130 7.101 1.00 1.34 H new ATOM 0 HG3 GLN B 5 162.039 -3.904 7.933 1.00 1.34 H new ATOM 0 HE21 GLN B 5 162.386 -4.541 10.090 1.00 2.18 H new ATOM 0 HE22 GLN B 5 163.979 -4.601 10.852 1.00 2.18 H new ATOM 1482 N LYS B 6 160.780 -3.311 5.652 1.00 0.59 N ATOM 1483 CA LYS B 6 159.375 -2.881 5.890 1.00 0.57 C ATOM 1484 C LYS B 6 158.492 -3.432 4.767 1.00 0.51 C ATOM 1485 O LYS B 6 157.372 -3.845 4.991 1.00 0.50 O ATOM 1486 CB LYS B 6 159.307 -1.348 5.887 1.00 0.58 C ATOM 1487 CG LYS B 6 160.000 -0.793 7.135 1.00 0.66 C ATOM 1488 CD LYS B 6 159.925 0.735 7.120 1.00 0.80 C ATOM 1489 CE LYS B 6 160.618 1.303 8.363 1.00 1.25 C ATOM 1490 NZ LYS B 6 160.291 2.752 8.492 1.00 2.01 N ATOM 0 H LYS B 6 161.450 -2.553 5.519 1.00 0.59 H new ATOM 0 HA LYS B 6 159.028 -3.257 6.852 1.00 0.57 H new ATOM 0 HB2 LYS B 6 159.786 -0.956 4.990 1.00 0.58 H new ATOM 0 HB3 LYS B 6 158.267 -1.021 5.862 1.00 0.58 H new ATOM 0 HG2 LYS B 6 159.522 -1.183 8.034 1.00 0.66 H new ATOM 0 HG3 LYS B 6 161.040 -1.117 7.161 1.00 0.66 H new ATOM 0 HD2 LYS B 6 160.400 1.122 6.219 1.00 0.80 H new ATOM 0 HD3 LYS B 6 158.884 1.057 7.094 1.00 0.80 H new ATOM 0 HE2 LYS B 6 160.292 0.764 9.253 1.00 1.25 H new ATOM 0 HE3 LYS B 6 161.697 1.168 8.286 1.00 1.25 H new ATOM 0 HZ1 LYS B 6 160.760 3.140 9.335 1.00 2.01 H new ATOM 0 HZ2 LYS B 6 160.623 3.259 7.647 1.00 2.01 H new ATOM 0 HZ3 LYS B 6 159.262 2.869 8.584 1.00 2.01 H new ATOM 1504 N HIS B 7 158.982 -3.425 3.561 1.00 0.49 N ATOM 1505 CA HIS B 7 158.167 -3.927 2.419 1.00 0.45 C ATOM 1506 C HIS B 7 157.787 -5.395 2.628 1.00 0.45 C ATOM 1507 O HIS B 7 156.636 -5.763 2.503 1.00 0.43 O ATOM 1508 CB HIS B 7 158.988 -3.766 1.133 1.00 0.45 C ATOM 1509 CG HIS B 7 158.383 -4.552 -0.004 1.00 0.42 C ATOM 1510 ND1 HIS B 7 157.628 -3.955 -1.006 1.00 0.39 N ATOM 1511 CD2 HIS B 7 158.443 -5.886 -0.327 1.00 0.45 C ATOM 1512 CE1 HIS B 7 157.273 -4.919 -1.877 1.00 0.38 C ATOM 1513 NE2 HIS B 7 157.743 -6.111 -1.506 1.00 0.42 N ATOM 0 H HIS B 7 159.914 -3.093 3.315 1.00 0.49 H new ATOM 0 HA HIS B 7 157.243 -3.354 2.347 1.00 0.45 H new ATOM 0 HB2 HIS B 7 159.041 -2.712 0.862 1.00 0.45 H new ATOM 0 HB3 HIS B 7 160.010 -4.102 1.307 1.00 0.45 H new ATOM 0 HD2 HIS B 7 158.956 -6.644 0.247 1.00 0.45 H new ATOM 0 HE1 HIS B 7 156.682 -4.748 -2.765 1.00 0.38 H new ATOM 0 HE2 HIS B 7 157.615 -7.001 -1.987 1.00 0.42 H new ATOM 1521 N ARG B 8 158.737 -6.246 2.942 1.00 0.48 N ATOM 1522 CA ARG B 8 158.426 -7.689 3.147 1.00 0.50 C ATOM 1523 C ARG B 8 157.623 -7.866 4.432 1.00 0.51 C ATOM 1524 O ARG B 8 156.755 -8.710 4.525 1.00 0.51 O ATOM 1525 CB ARG B 8 159.731 -8.479 3.262 1.00 0.55 C ATOM 1526 CG ARG B 8 160.513 -8.370 1.949 1.00 0.57 C ATOM 1527 CD ARG B 8 161.735 -9.300 1.991 1.00 1.00 C ATOM 1528 NE ARG B 8 162.804 -8.775 1.081 1.00 1.70 N ATOM 1529 CZ ARG B 8 162.545 -8.454 -0.160 1.00 2.29 C ATOM 1530 NH1 ARG B 8 161.407 -8.776 -0.705 1.00 2.43 N ATOM 1531 NH2 ARG B 8 163.459 -7.860 -0.876 1.00 3.23 N ATOM 0 H ARG B 8 159.718 -5.997 3.065 1.00 0.48 H new ATOM 0 HA ARG B 8 157.845 -8.054 2.300 1.00 0.50 H new ATOM 0 HB2 ARG B 8 160.330 -8.094 4.087 1.00 0.55 H new ATOM 0 HB3 ARG B 8 159.517 -9.524 3.484 1.00 0.55 H new ATOM 0 HG2 ARG B 8 159.871 -8.636 1.110 1.00 0.57 H new ATOM 0 HG3 ARG B 8 160.834 -7.340 1.791 1.00 0.57 H new ATOM 0 HD2 ARG B 8 162.115 -9.371 3.010 1.00 1.00 H new ATOM 0 HD3 ARG B 8 161.448 -10.307 1.687 1.00 1.00 H new ATOM 0 HE ARG B 8 163.754 -8.666 1.437 1.00 1.70 H new ATOM 0 HH11 ARG B 8 160.707 -9.283 -0.163 1.00 2.43 H new ATOM 0 HH12 ARG B 8 161.215 -8.521 -1.674 1.00 2.43 H new ATOM 0 HH21 ARG B 8 164.369 -7.649 -0.467 1.00 3.23 H new ATOM 0 HH22 ARG B 8 163.263 -7.607 -1.845 1.00 3.23 H new ATOM 1545 N ASP B 9 157.917 -7.081 5.421 1.00 0.52 N ATOM 1546 CA ASP B 9 157.185 -7.201 6.710 1.00 0.54 C ATOM 1547 C ASP B 9 155.726 -6.793 6.512 1.00 0.49 C ATOM 1548 O ASP B 9 154.822 -7.391 7.061 1.00 0.48 O ATOM 1549 CB ASP B 9 157.834 -6.286 7.750 1.00 0.61 C ATOM 1550 CG ASP B 9 159.205 -6.843 8.134 1.00 0.68 C ATOM 1551 OD1 ASP B 9 159.367 -8.050 8.082 1.00 0.67 O ATOM 1552 OD2 ASP B 9 160.073 -6.052 8.467 1.00 0.76 O ATOM 0 H ASP B 9 158.635 -6.357 5.396 1.00 0.52 H new ATOM 0 HA ASP B 9 157.227 -8.234 7.056 1.00 0.54 H new ATOM 0 HB2 ASP B 9 157.939 -5.278 7.349 1.00 0.61 H new ATOM 0 HB3 ASP B 9 157.199 -6.213 8.633 1.00 0.61 H new ATOM 1557 N PHE B 10 155.494 -5.769 5.743 1.00 0.46 N ATOM 1558 CA PHE B 10 154.093 -5.307 5.523 1.00 0.43 C ATOM 1559 C PHE B 10 153.287 -6.386 4.776 1.00 0.37 C ATOM 1560 O PHE B 10 152.167 -6.689 5.132 1.00 0.36 O ATOM 1561 CB PHE B 10 154.129 -4.013 4.702 1.00 0.45 C ATOM 1562 CG PHE B 10 152.762 -3.373 4.680 1.00 0.43 C ATOM 1563 CD1 PHE B 10 152.373 -2.531 5.732 1.00 0.44 C ATOM 1564 CD2 PHE B 10 151.891 -3.600 3.608 1.00 0.43 C ATOM 1565 CE1 PHE B 10 151.114 -1.918 5.712 1.00 0.44 C ATOM 1566 CE2 PHE B 10 150.629 -2.988 3.590 1.00 0.43 C ATOM 1567 CZ PHE B 10 150.242 -2.147 4.641 1.00 0.43 C ATOM 0 H PHE B 10 156.211 -5.231 5.257 1.00 0.46 H new ATOM 0 HA PHE B 10 153.610 -5.124 6.483 1.00 0.43 H new ATOM 0 HB2 PHE B 10 154.855 -3.322 5.130 1.00 0.45 H new ATOM 0 HB3 PHE B 10 154.455 -4.228 3.684 1.00 0.45 H new ATOM 0 HD1 PHE B 10 153.045 -2.355 6.559 1.00 0.44 H new ATOM 0 HD2 PHE B 10 152.190 -4.246 2.796 1.00 0.43 H new ATOM 0 HE1 PHE B 10 150.816 -1.269 6.522 1.00 0.44 H new ATOM 0 HE2 PHE B 10 149.955 -3.165 2.765 1.00 0.43 H new ATOM 0 HZ PHE B 10 149.271 -1.675 4.625 1.00 0.43 H new ATOM 1577 N VAL B 11 153.843 -6.952 3.736 1.00 0.37 N ATOM 1578 CA VAL B 11 153.111 -8.000 2.947 1.00 0.35 C ATOM 1579 C VAL B 11 153.350 -9.406 3.521 1.00 0.36 C ATOM 1580 O VAL B 11 152.907 -10.387 2.957 1.00 0.37 O ATOM 1581 CB VAL B 11 153.610 -7.965 1.503 1.00 0.37 C ATOM 1582 CG1 VAL B 11 153.436 -6.554 0.939 1.00 0.44 C ATOM 1583 CG2 VAL B 11 155.091 -8.344 1.478 1.00 0.40 C ATOM 0 H VAL B 11 154.779 -6.735 3.394 1.00 0.37 H new ATOM 0 HA VAL B 11 152.043 -7.786 2.998 1.00 0.35 H new ATOM 0 HB VAL B 11 153.039 -8.669 0.898 1.00 0.37 H new ATOM 0 HG11 VAL B 11 153.792 -6.527 -0.091 1.00 0.44 H new ATOM 0 HG12 VAL B 11 152.382 -6.279 0.966 1.00 0.44 H new ATOM 0 HG13 VAL B 11 154.011 -5.849 1.539 1.00 0.44 H new ATOM 0 HG21 VAL B 11 155.455 -8.321 0.451 1.00 0.40 H new ATOM 0 HG22 VAL B 11 155.658 -7.634 2.080 1.00 0.40 H new ATOM 0 HG23 VAL B 11 155.217 -9.347 1.886 1.00 0.40 H new ATOM 1593 N ALA B 12 154.025 -9.520 4.636 1.00 0.41 N ATOM 1594 CA ALA B 12 154.267 -10.874 5.242 1.00 0.47 C ATOM 1595 C ALA B 12 153.292 -11.120 6.397 1.00 0.45 C ATOM 1596 O ALA B 12 153.106 -12.237 6.837 1.00 0.48 O ATOM 1597 CB ALA B 12 155.698 -10.950 5.772 1.00 0.53 C ATOM 0 H ALA B 12 154.421 -8.737 5.156 1.00 0.41 H new ATOM 0 HA ALA B 12 154.114 -11.633 4.475 1.00 0.47 H new ATOM 0 HB1 ALA B 12 155.872 -11.932 6.211 1.00 0.53 H new ATOM 0 HB2 ALA B 12 156.399 -10.790 4.952 1.00 0.53 H new ATOM 0 HB3 ALA B 12 155.846 -10.182 6.531 1.00 0.53 H new ATOM 1603 N GLU B 13 152.665 -10.089 6.887 1.00 0.42 N ATOM 1604 CA GLU B 13 151.697 -10.255 8.011 1.00 0.43 C ATOM 1605 C GLU B 13 150.655 -9.139 7.918 1.00 0.39 C ATOM 1606 O GLU B 13 150.943 -8.080 7.397 1.00 0.36 O ATOM 1607 CB GLU B 13 152.456 -10.152 9.340 1.00 0.46 C ATOM 1608 CG GLU B 13 153.361 -8.918 9.317 1.00 0.48 C ATOM 1609 CD GLU B 13 153.982 -8.712 10.698 1.00 0.62 C ATOM 1610 OE1 GLU B 13 153.594 -9.422 11.612 1.00 1.27 O ATOM 1611 OE2 GLU B 13 154.835 -7.850 10.820 1.00 1.04 O ATOM 0 H GLU B 13 152.781 -9.131 6.557 1.00 0.42 H new ATOM 0 HA GLU B 13 151.203 -11.225 7.955 1.00 0.43 H new ATOM 0 HB2 GLU B 13 151.752 -10.084 10.169 1.00 0.46 H new ATOM 0 HB3 GLU B 13 153.052 -11.050 9.501 1.00 0.46 H new ATOM 0 HG2 GLU B 13 154.145 -9.043 8.570 1.00 0.48 H new ATOM 0 HG3 GLU B 13 152.785 -8.038 9.031 1.00 0.48 H new ATOM 1618 N PRO B 14 149.457 -9.349 8.417 1.00 0.42 N ATOM 1619 CA PRO B 14 148.393 -8.309 8.378 1.00 0.40 C ATOM 1620 C PRO B 14 148.967 -6.907 8.603 1.00 0.36 C ATOM 1621 O PRO B 14 150.021 -6.746 9.189 1.00 0.36 O ATOM 1622 CB PRO B 14 147.471 -8.724 9.523 1.00 0.45 C ATOM 1623 CG PRO B 14 147.553 -10.219 9.543 1.00 0.49 C ATOM 1624 CD PRO B 14 148.973 -10.584 9.069 1.00 0.48 C ATOM 0 HA PRO B 14 147.886 -8.252 7.415 1.00 0.40 H new ATOM 0 HB2 PRO B 14 147.797 -8.295 10.471 1.00 0.45 H new ATOM 0 HB3 PRO B 14 146.449 -8.384 9.354 1.00 0.45 H new ATOM 0 HG2 PRO B 14 147.367 -10.605 10.545 1.00 0.49 H new ATOM 0 HG3 PRO B 14 146.800 -10.658 8.888 1.00 0.49 H new ATOM 0 HD2 PRO B 14 149.612 -10.872 9.904 1.00 0.48 H new ATOM 0 HD3 PRO B 14 148.959 -11.424 8.374 1.00 0.48 H new ATOM 1632 N MET B 15 148.297 -5.891 8.134 1.00 0.35 N ATOM 1633 CA MET B 15 148.820 -4.501 8.312 1.00 0.34 C ATOM 1634 C MET B 15 148.239 -3.881 9.586 1.00 0.35 C ATOM 1635 O MET B 15 148.855 -3.050 10.220 1.00 0.37 O ATOM 1636 CB MET B 15 148.437 -3.658 7.091 1.00 0.36 C ATOM 1637 CG MET B 15 146.920 -3.660 6.907 1.00 0.40 C ATOM 1638 SD MET B 15 146.521 -3.138 5.219 1.00 0.56 S ATOM 1639 CE MET B 15 146.567 -1.353 5.510 1.00 0.42 C ATOM 0 H MET B 15 147.410 -5.960 7.635 1.00 0.35 H new ATOM 0 HA MET B 15 149.906 -4.530 8.405 1.00 0.34 H new ATOM 0 HB2 MET B 15 148.794 -2.636 7.218 1.00 0.36 H new ATOM 0 HB3 MET B 15 148.920 -4.056 6.199 1.00 0.36 H new ATOM 0 HG2 MET B 15 146.521 -4.656 7.096 1.00 0.40 H new ATOM 0 HG3 MET B 15 146.454 -2.988 7.628 1.00 0.40 H new ATOM 0 HE1 MET B 15 146.893 -0.845 4.603 1.00 0.42 H new ATOM 0 HE2 MET B 15 145.572 -1.003 5.784 1.00 0.42 H new ATOM 0 HE3 MET B 15 147.264 -1.134 6.319 1.00 0.42 H new ATOM 1649 N GLY B 16 147.061 -4.290 9.974 1.00 0.36 N ATOM 1650 CA GLY B 16 146.444 -3.738 11.215 1.00 0.39 C ATOM 1651 C GLY B 16 146.387 -2.208 11.147 1.00 0.38 C ATOM 1652 O GLY B 16 145.987 -1.631 10.154 1.00 0.37 O ATOM 0 H GLY B 16 146.498 -4.985 9.484 1.00 0.36 H new ATOM 0 HA2 GLY B 16 145.439 -4.141 11.339 1.00 0.39 H new ATOM 0 HA3 GLY B 16 147.022 -4.049 12.085 1.00 0.39 H new ATOM 1656 N GLU B 17 146.757 -1.550 12.218 1.00 0.40 N ATOM 1657 CA GLU B 17 146.706 -0.055 12.267 1.00 0.41 C ATOM 1658 C GLU B 17 148.125 0.515 12.287 1.00 0.38 C ATOM 1659 O GLU B 17 148.384 1.517 12.920 1.00 0.39 O ATOM 1660 CB GLU B 17 145.980 0.369 13.542 1.00 0.46 C ATOM 1661 CG GLU B 17 144.505 -0.024 13.445 1.00 0.50 C ATOM 1662 CD GLU B 17 143.795 0.346 14.748 1.00 0.55 C ATOM 1663 OE1 GLU B 17 144.473 0.779 15.667 1.00 0.73 O ATOM 1664 OE2 GLU B 17 142.587 0.188 14.808 1.00 0.84 O ATOM 0 H GLU B 17 147.097 -1.991 13.072 1.00 0.40 H new ATOM 0 HA GLU B 17 146.182 0.321 11.388 1.00 0.41 H new ATOM 0 HB2 GLU B 17 146.438 -0.107 14.409 1.00 0.46 H new ATOM 0 HB3 GLU B 17 146.072 1.446 13.684 1.00 0.46 H new ATOM 0 HG2 GLU B 17 144.036 0.487 12.604 1.00 0.50 H new ATOM 0 HG3 GLU B 17 144.414 -1.094 13.259 1.00 0.50 H new ATOM 1671 N LYS B 18 149.049 -0.114 11.614 1.00 0.36 N ATOM 1672 CA LYS B 18 150.448 0.402 11.623 1.00 0.35 C ATOM 1673 C LYS B 18 150.444 1.839 11.078 1.00 0.31 C ATOM 1674 O LYS B 18 149.619 2.186 10.256 1.00 0.30 O ATOM 1675 CB LYS B 18 151.325 -0.478 10.727 1.00 0.35 C ATOM 1676 CG LYS B 18 151.573 -1.827 11.409 1.00 0.45 C ATOM 1677 CD LYS B 18 152.049 -2.846 10.370 1.00 1.16 C ATOM 1678 CE LYS B 18 152.385 -4.166 11.062 1.00 1.44 C ATOM 1679 NZ LYS B 18 153.685 -4.036 11.775 1.00 2.02 N ATOM 0 H LYS B 18 148.898 -0.958 11.061 1.00 0.36 H new ATOM 0 HA LYS B 18 150.844 0.386 12.639 1.00 0.35 H new ATOM 0 HB2 LYS B 18 150.839 -0.631 9.764 1.00 0.35 H new ATOM 0 HB3 LYS B 18 152.274 0.020 10.529 1.00 0.35 H new ATOM 0 HG2 LYS B 18 152.320 -1.717 12.195 1.00 0.45 H new ATOM 0 HG3 LYS B 18 150.658 -2.179 11.886 1.00 0.45 H new ATOM 0 HD2 LYS B 18 151.274 -3.004 9.620 1.00 1.16 H new ATOM 0 HD3 LYS B 18 152.926 -2.465 9.847 1.00 1.16 H new ATOM 0 HE2 LYS B 18 151.597 -4.430 11.767 1.00 1.44 H new ATOM 0 HE3 LYS B 18 152.439 -4.970 10.328 1.00 1.44 H new ATOM 0 HZ1 LYS B 18 154.022 -4.979 12.057 1.00 2.02 H new ATOM 0 HZ2 LYS B 18 154.384 -3.593 11.145 1.00 2.02 H new ATOM 0 HZ3 LYS B 18 153.559 -3.446 12.622 1.00 2.02 H new ATOM 1693 N PRO B 19 151.340 2.682 11.540 1.00 0.31 N ATOM 1694 CA PRO B 19 151.399 4.105 11.086 1.00 0.29 C ATOM 1695 C PRO B 19 151.606 4.221 9.572 1.00 0.25 C ATOM 1696 O PRO B 19 152.115 3.324 8.929 1.00 0.23 O ATOM 1697 CB PRO B 19 152.589 4.706 11.866 1.00 0.32 C ATOM 1698 CG PRO B 19 153.384 3.530 12.347 1.00 0.32 C ATOM 1699 CD PRO B 19 152.390 2.384 12.529 1.00 0.34 C ATOM 0 HA PRO B 19 150.464 4.631 11.279 1.00 0.29 H new ATOM 0 HB2 PRO B 19 153.191 5.353 11.227 1.00 0.32 H new ATOM 0 HB3 PRO B 19 152.244 5.315 12.701 1.00 0.32 H new ATOM 0 HG2 PRO B 19 154.157 3.263 11.627 1.00 0.32 H new ATOM 0 HG3 PRO B 19 153.888 3.760 13.286 1.00 0.32 H new ATOM 0 HD2 PRO B 19 152.855 1.416 12.342 1.00 0.34 H new ATOM 0 HD3 PRO B 19 151.991 2.356 13.543 1.00 0.34 H new ATOM 1707 N VAL B 20 151.201 5.322 9.003 1.00 0.24 N ATOM 1708 CA VAL B 20 151.354 5.508 7.537 1.00 0.22 C ATOM 1709 C VAL B 20 152.827 5.388 7.143 1.00 0.21 C ATOM 1710 O VAL B 20 153.171 4.798 6.138 1.00 0.22 O ATOM 1711 CB VAL B 20 150.829 6.892 7.147 1.00 0.26 C ATOM 1712 CG1 VAL B 20 151.701 7.971 7.793 1.00 0.32 C ATOM 1713 CG2 VAL B 20 150.874 7.046 5.624 1.00 0.28 C ATOM 0 H VAL B 20 150.769 6.104 9.495 1.00 0.24 H new ATOM 0 HA VAL B 20 150.786 4.738 7.015 1.00 0.22 H new ATOM 0 HB VAL B 20 149.801 6.999 7.493 1.00 0.26 H new ATOM 0 HG11 VAL B 20 151.327 8.956 7.515 1.00 0.32 H new ATOM 0 HG12 VAL B 20 151.669 7.864 8.877 1.00 0.32 H new ATOM 0 HG13 VAL B 20 152.729 7.863 7.448 1.00 0.32 H new ATOM 0 HG21 VAL B 20 150.500 8.032 5.347 1.00 0.28 H new ATOM 0 HG22 VAL B 20 151.902 6.937 5.277 1.00 0.28 H new ATOM 0 HG23 VAL B 20 150.252 6.279 5.162 1.00 0.28 H new ATOM 1723 N GLY B 21 153.697 5.967 7.930 1.00 0.22 N ATOM 1724 CA GLY B 21 155.152 5.923 7.617 1.00 0.21 C ATOM 1725 C GLY B 21 155.643 4.475 7.601 1.00 0.19 C ATOM 1726 O GLY B 21 156.794 4.209 7.317 1.00 0.19 O ATOM 0 H GLY B 21 153.457 6.472 8.783 1.00 0.22 H new ATOM 0 HA2 GLY B 21 155.338 6.389 6.649 1.00 0.21 H new ATOM 0 HA3 GLY B 21 155.709 6.496 8.359 1.00 0.21 H new ATOM 1730 N SER B 22 154.789 3.531 7.893 1.00 0.20 N ATOM 1731 CA SER B 22 155.225 2.107 7.879 1.00 0.20 C ATOM 1732 C SER B 22 155.198 1.595 6.440 1.00 0.19 C ATOM 1733 O SER B 22 155.848 0.625 6.102 1.00 0.20 O ATOM 1734 CB SER B 22 154.270 1.272 8.735 1.00 0.23 C ATOM 1735 OG SER B 22 154.713 -0.078 8.753 1.00 1.24 O ATOM 0 H SER B 22 153.811 3.685 8.140 1.00 0.20 H new ATOM 0 HA SER B 22 156.234 2.026 8.282 1.00 0.20 H new ATOM 0 HB2 SER B 22 154.233 1.668 9.750 1.00 0.23 H new ATOM 0 HB3 SER B 22 153.258 1.329 8.333 1.00 0.23 H new ATOM 0 HG SER B 22 154.104 -0.615 9.302 1.00 1.24 H new ATOM 1741 N LEU B 23 154.450 2.242 5.589 1.00 0.18 N ATOM 1742 CA LEU B 23 154.382 1.796 4.169 1.00 0.18 C ATOM 1743 C LEU B 23 155.750 1.974 3.507 1.00 0.18 C ATOM 1744 O LEU B 23 156.430 2.961 3.701 1.00 0.18 O ATOM 1745 CB LEU B 23 153.337 2.626 3.418 1.00 0.19 C ATOM 1746 CG LEU B 23 151.948 2.395 4.031 1.00 0.21 C ATOM 1747 CD1 LEU B 23 150.928 3.314 3.343 1.00 0.23 C ATOM 1748 CD2 LEU B 23 151.529 0.919 3.855 1.00 0.24 C ATOM 0 H LEU B 23 153.884 3.059 5.815 1.00 0.18 H new ATOM 0 HA LEU B 23 154.099 0.744 4.136 1.00 0.18 H new ATOM 0 HB2 LEU B 23 153.595 3.684 3.468 1.00 0.19 H new ATOM 0 HB3 LEU B 23 153.329 2.350 2.364 1.00 0.19 H new ATOM 0 HG LEU B 23 151.982 2.624 5.096 1.00 0.21 H new ATOM 0 HD11 LEU B 23 149.941 3.152 3.777 1.00 0.23 H new ATOM 0 HD12 LEU B 23 151.221 4.354 3.486 1.00 0.23 H new ATOM 0 HD13 LEU B 23 150.897 3.090 2.277 1.00 0.23 H new ATOM 0 HD21 LEU B 23 150.543 0.766 4.293 1.00 0.24 H new ATOM 0 HD22 LEU B 23 151.496 0.674 2.793 1.00 0.24 H new ATOM 0 HD23 LEU B 23 152.252 0.274 4.354 1.00 0.24 H new ATOM 1760 N ALA B 24 156.145 1.018 2.725 1.00 0.18 N ATOM 1761 CA ALA B 24 157.463 1.119 2.044 1.00 0.19 C ATOM 1762 C ALA B 24 157.452 2.298 1.069 1.00 0.19 C ATOM 1763 O ALA B 24 156.500 2.519 0.348 1.00 0.20 O ATOM 1764 CB ALA B 24 157.739 -0.174 1.278 1.00 0.21 C ATOM 0 H ALA B 24 155.615 0.170 2.526 1.00 0.18 H new ATOM 0 HA ALA B 24 158.243 1.276 2.789 1.00 0.19 H new ATOM 0 HB1 ALA B 24 158.705 -0.102 0.778 1.00 0.21 H new ATOM 0 HB2 ALA B 24 157.752 -1.013 1.974 1.00 0.21 H new ATOM 0 HB3 ALA B 24 156.957 -0.331 0.535 1.00 0.21 H new ATOM 1770 N GLY B 25 158.514 3.056 1.054 1.00 0.20 N ATOM 1771 CA GLY B 25 158.592 4.233 0.135 1.00 0.21 C ATOM 1772 C GLY B 25 158.130 5.491 0.872 1.00 0.20 C ATOM 1773 O GLY B 25 158.423 6.598 0.465 1.00 0.22 O ATOM 0 H GLY B 25 159.336 2.912 1.640 1.00 0.20 H new ATOM 0 HA2 GLY B 25 159.614 4.362 -0.221 1.00 0.21 H new ATOM 0 HA3 GLY B 25 157.968 4.064 -0.743 1.00 0.21 H new ATOM 1777 N ILE B 26 157.425 5.332 1.962 1.00 0.20 N ATOM 1778 CA ILE B 26 156.958 6.521 2.741 1.00 0.21 C ATOM 1779 C ILE B 26 157.913 6.710 3.917 1.00 0.23 C ATOM 1780 O ILE B 26 157.954 5.899 4.823 1.00 0.25 O ATOM 1781 CB ILE B 26 155.538 6.275 3.266 1.00 0.22 C ATOM 1782 CG1 ILE B 26 154.604 5.916 2.098 1.00 0.22 C ATOM 1783 CG2 ILE B 26 155.021 7.537 3.964 1.00 0.24 C ATOM 1784 CD1 ILE B 26 154.688 6.976 0.991 1.00 0.24 C ATOM 0 H ILE B 26 157.151 4.429 2.348 1.00 0.20 H new ATOM 0 HA ILE B 26 156.945 7.409 2.109 1.00 0.21 H new ATOM 0 HB ILE B 26 155.559 5.449 3.977 1.00 0.22 H new ATOM 0 HG12 ILE B 26 154.876 4.940 1.695 1.00 0.22 H new ATOM 0 HG13 ILE B 26 153.578 5.838 2.457 1.00 0.22 H new ATOM 0 HG21 ILE B 26 154.012 7.360 4.336 1.00 0.24 H new ATOM 0 HG22 ILE B 26 155.677 7.786 4.798 1.00 0.24 H new ATOM 0 HG23 ILE B 26 155.006 8.365 3.255 1.00 0.24 H new ATOM 0 HD11 ILE B 26 154.020 6.703 0.174 1.00 0.24 H new ATOM 0 HD12 ILE B 26 154.393 7.946 1.392 1.00 0.24 H new ATOM 0 HD13 ILE B 26 155.711 7.033 0.619 1.00 0.24 H new ATOM 1796 N GLY B 27 158.689 7.763 3.922 1.00 0.24 N ATOM 1797 CA GLY B 27 159.642 7.987 5.050 1.00 0.27 C ATOM 1798 C GLY B 27 159.012 8.923 6.079 1.00 0.28 C ATOM 1799 O GLY B 27 157.882 9.349 5.940 1.00 0.27 O ATOM 0 H GLY B 27 158.704 8.477 3.194 1.00 0.24 H new ATOM 0 HA2 GLY B 27 159.897 7.036 5.518 1.00 0.27 H new ATOM 0 HA3 GLY B 27 160.571 8.416 4.674 1.00 0.27 H new ATOM 1803 N GLU B 28 159.732 9.236 7.119 1.00 0.30 N ATOM 1804 CA GLU B 28 159.165 10.132 8.164 1.00 0.32 C ATOM 1805 C GLU B 28 158.745 11.460 7.528 1.00 0.32 C ATOM 1806 O GLU B 28 157.718 12.018 7.863 1.00 0.35 O ATOM 1807 CB GLU B 28 160.221 10.399 9.242 1.00 0.36 C ATOM 1808 CG GLU B 28 160.502 9.114 10.031 1.00 0.39 C ATOM 1809 CD GLU B 28 161.401 8.187 9.210 1.00 1.27 C ATOM 1810 OE1 GLU B 28 161.911 8.628 8.193 1.00 2.00 O ATOM 1811 OE2 GLU B 28 161.570 7.049 9.616 1.00 1.64 O ATOM 0 H GLU B 28 160.684 8.912 7.290 1.00 0.30 H new ATOM 0 HA GLU B 28 158.297 9.652 8.616 1.00 0.32 H new ATOM 0 HB2 GLU B 28 161.140 10.761 8.781 1.00 0.36 H new ATOM 0 HB3 GLU B 28 159.874 11.181 9.917 1.00 0.36 H new ATOM 0 HG2 GLU B 28 160.983 9.356 10.979 1.00 0.39 H new ATOM 0 HG3 GLU B 28 159.565 8.610 10.269 1.00 0.39 H new ATOM 1818 N VAL B 29 159.524 11.972 6.613 1.00 0.31 N ATOM 1819 CA VAL B 29 159.153 13.265 5.968 1.00 0.33 C ATOM 1820 C VAL B 29 157.891 13.067 5.124 1.00 0.33 C ATOM 1821 O VAL B 29 156.969 13.856 5.172 1.00 0.35 O ATOM 1822 CB VAL B 29 160.303 13.742 5.073 1.00 0.34 C ATOM 1823 CG1 VAL B 29 159.848 14.945 4.240 1.00 0.38 C ATOM 1824 CG2 VAL B 29 161.495 14.144 5.945 1.00 0.35 C ATOM 0 H VAL B 29 160.395 11.554 6.286 1.00 0.31 H new ATOM 0 HA VAL B 29 158.962 14.014 6.736 1.00 0.33 H new ATOM 0 HB VAL B 29 160.597 12.934 4.404 1.00 0.34 H new ATOM 0 HG11 VAL B 29 160.669 15.280 3.606 1.00 0.38 H new ATOM 0 HG12 VAL B 29 159.002 14.657 3.616 1.00 0.38 H new ATOM 0 HG13 VAL B 29 159.549 15.756 4.905 1.00 0.38 H new ATOM 0 HG21 VAL B 29 162.313 14.483 5.309 1.00 0.35 H new ATOM 0 HG22 VAL B 29 161.199 14.950 6.617 1.00 0.35 H new ATOM 0 HG23 VAL B 29 161.823 13.285 6.531 1.00 0.35 H new ATOM 1834 N LEU B 30 157.846 12.021 4.350 1.00 0.32 N ATOM 1835 CA LEU B 30 156.653 11.769 3.499 1.00 0.33 C ATOM 1836 C LEU B 30 155.456 11.427 4.386 1.00 0.32 C ATOM 1837 O LEU B 30 154.345 11.853 4.140 1.00 0.33 O ATOM 1838 CB LEU B 30 156.944 10.608 2.544 1.00 0.33 C ATOM 1839 CG LEU B 30 158.125 10.966 1.632 1.00 0.35 C ATOM 1840 CD1 LEU B 30 158.476 9.754 0.761 1.00 0.36 C ATOM 1841 CD2 LEU B 30 157.762 12.163 0.733 1.00 0.40 C ATOM 0 H LEU B 30 158.588 11.326 4.270 1.00 0.32 H new ATOM 0 HA LEU B 30 156.423 12.662 2.918 1.00 0.33 H new ATOM 0 HB2 LEU B 30 157.172 9.706 3.112 1.00 0.33 H new ATOM 0 HB3 LEU B 30 156.061 10.390 1.942 1.00 0.33 H new ATOM 0 HG LEU B 30 158.982 11.238 2.248 1.00 0.35 H new ATOM 0 HD11 LEU B 30 159.315 10.004 0.111 1.00 0.36 H new ATOM 0 HD12 LEU B 30 158.749 8.914 1.400 1.00 0.36 H new ATOM 0 HD13 LEU B 30 157.614 9.482 0.152 1.00 0.36 H new ATOM 0 HD21 LEU B 30 158.609 12.406 0.091 1.00 0.40 H new ATOM 0 HD22 LEU B 30 156.901 11.907 0.116 1.00 0.40 H new ATOM 0 HD23 LEU B 30 157.519 13.025 1.355 1.00 0.40 H new ATOM 1853 N GLY B 31 155.676 10.668 5.423 1.00 0.33 N ATOM 1854 CA GLY B 31 154.550 10.310 6.327 1.00 0.34 C ATOM 1855 C GLY B 31 153.955 11.592 6.909 1.00 0.35 C ATOM 1856 O GLY B 31 152.754 11.726 7.047 1.00 0.36 O ATOM 0 H GLY B 31 156.584 10.282 5.682 1.00 0.33 H new ATOM 0 HA2 GLY B 31 153.788 9.756 5.779 1.00 0.34 H new ATOM 0 HA3 GLY B 31 154.902 9.660 7.128 1.00 0.34 H new ATOM 1860 N LYS B 32 154.788 12.539 7.253 1.00 0.35 N ATOM 1861 CA LYS B 32 154.273 13.813 7.826 1.00 0.37 C ATOM 1862 C LYS B 32 153.405 14.530 6.794 1.00 0.37 C ATOM 1863 O LYS B 32 152.381 15.098 7.123 1.00 0.38 O ATOM 1864 CB LYS B 32 155.454 14.716 8.192 1.00 0.40 C ATOM 1865 CG LYS B 32 154.939 15.966 8.905 1.00 1.18 C ATOM 1866 CD LYS B 32 156.116 16.865 9.269 1.00 1.36 C ATOM 1867 CE LYS B 32 155.592 18.112 9.982 1.00 2.07 C ATOM 1868 NZ LYS B 32 154.769 17.696 11.152 1.00 2.75 N ATOM 0 H LYS B 32 155.802 12.483 7.161 1.00 0.35 H new ATOM 0 HA LYS B 32 153.680 13.593 8.714 1.00 0.37 H new ATOM 0 HB2 LYS B 32 156.151 14.179 8.835 1.00 0.40 H new ATOM 0 HB3 LYS B 32 156.003 14.997 7.293 1.00 0.40 H new ATOM 0 HG2 LYS B 32 154.242 16.504 8.262 1.00 1.18 H new ATOM 0 HG3 LYS B 32 154.391 15.685 9.804 1.00 1.18 H new ATOM 0 HD2 LYS B 32 156.813 16.329 9.913 1.00 1.36 H new ATOM 0 HD3 LYS B 32 156.665 17.148 8.371 1.00 1.36 H new ATOM 0 HE2 LYS B 32 156.424 18.735 10.310 1.00 2.07 H new ATOM 0 HE3 LYS B 32 154.994 18.713 9.297 1.00 2.07 H new ATOM 0 HZ1 LYS B 32 154.885 18.386 11.921 1.00 2.75 H new ATOM 0 HZ2 LYS B 32 153.768 17.653 10.874 1.00 2.75 H new ATOM 0 HZ3 LYS B 32 155.079 16.758 11.478 1.00 2.75 H new ATOM 1882 N LYS B 33 153.800 14.520 5.550 1.00 0.35 N ATOM 1883 CA LYS B 33 152.987 15.219 4.520 1.00 0.36 C ATOM 1884 C LYS B 33 151.660 14.480 4.349 1.00 0.34 C ATOM 1885 O LYS B 33 150.605 15.079 4.295 1.00 0.36 O ATOM 1886 CB LYS B 33 153.749 15.226 3.192 1.00 0.36 C ATOM 1887 CG LYS B 33 154.961 16.158 3.300 1.00 0.39 C ATOM 1888 CD LYS B 33 155.723 16.160 1.973 1.00 0.64 C ATOM 1889 CE LYS B 33 156.935 17.090 2.077 1.00 0.66 C ATOM 1890 NZ LYS B 33 156.470 18.494 2.271 1.00 1.56 N ATOM 0 H LYS B 33 154.644 14.061 5.206 1.00 0.35 H new ATOM 0 HA LYS B 33 152.796 16.246 4.830 1.00 0.36 H new ATOM 0 HB2 LYS B 33 154.075 14.216 2.943 1.00 0.36 H new ATOM 0 HB3 LYS B 33 153.093 15.557 2.387 1.00 0.36 H new ATOM 0 HG2 LYS B 33 154.635 17.169 3.546 1.00 0.39 H new ATOM 0 HG3 LYS B 33 155.616 15.829 4.107 1.00 0.39 H new ATOM 0 HD2 LYS B 33 156.048 15.149 1.727 1.00 0.64 H new ATOM 0 HD3 LYS B 33 155.068 16.489 1.166 1.00 0.64 H new ATOM 0 HE2 LYS B 33 157.569 16.787 2.911 1.00 0.66 H new ATOM 0 HE3 LYS B 33 157.541 17.018 1.174 1.00 0.66 H new ATOM 0 HZ1 LYS B 33 157.237 19.151 2.024 1.00 1.56 H new ATOM 0 HZ2 LYS B 33 155.648 18.675 1.660 1.00 1.56 H new ATOM 0 HZ3 LYS B 33 156.200 18.636 3.265 1.00 1.56 H new ATOM 1904 N LEU B 34 151.699 13.178 4.288 1.00 0.32 N ATOM 1905 CA LEU B 34 150.434 12.404 4.152 1.00 0.31 C ATOM 1906 C LEU B 34 149.592 12.608 5.423 1.00 0.31 C ATOM 1907 O LEU B 34 148.386 12.753 5.373 1.00 0.32 O ATOM 1908 CB LEU B 34 150.773 10.918 3.975 1.00 0.28 C ATOM 1909 CG LEU B 34 151.421 10.679 2.603 1.00 0.29 C ATOM 1910 CD1 LEU B 34 152.057 9.283 2.589 1.00 0.29 C ATOM 1911 CD2 LEU B 34 150.363 10.762 1.482 1.00 0.33 C ATOM 0 H LEU B 34 152.550 12.618 4.326 1.00 0.32 H new ATOM 0 HA LEU B 34 149.869 12.746 3.285 1.00 0.31 H new ATOM 0 HB2 LEU B 34 151.450 10.596 4.766 1.00 0.28 H new ATOM 0 HB3 LEU B 34 149.868 10.318 4.067 1.00 0.28 H new ATOM 0 HG LEU B 34 152.178 11.444 2.431 1.00 0.29 H new ATOM 0 HD11 LEU B 34 152.520 9.104 1.619 1.00 0.29 H new ATOM 0 HD12 LEU B 34 152.815 9.221 3.370 1.00 0.29 H new ATOM 0 HD13 LEU B 34 151.288 8.531 2.769 1.00 0.29 H new ATOM 0 HD21 LEU B 34 150.841 10.590 0.517 1.00 0.33 H new ATOM 0 HD22 LEU B 34 149.597 10.004 1.648 1.00 0.33 H new ATOM 0 HD23 LEU B 34 149.903 11.750 1.488 1.00 0.33 H new ATOM 1923 N GLU B 35 150.237 12.613 6.560 1.00 0.31 N ATOM 1924 CA GLU B 35 149.490 12.800 7.845 1.00 0.34 C ATOM 1925 C GLU B 35 148.772 14.152 7.826 1.00 0.37 C ATOM 1926 O GLU B 35 147.623 14.264 8.204 1.00 0.39 O ATOM 1927 CB GLU B 35 150.467 12.750 9.030 1.00 0.35 C ATOM 1928 CG GLU B 35 149.704 12.938 10.349 1.00 0.92 C ATOM 1929 CD GLU B 35 150.686 12.881 11.520 1.00 1.02 C ATOM 1930 OE1 GLU B 35 151.861 12.666 11.276 1.00 1.68 O ATOM 1931 OE2 GLU B 35 150.242 13.051 12.644 1.00 1.35 O ATOM 0 H GLU B 35 151.246 12.496 6.657 1.00 0.31 H new ATOM 0 HA GLU B 35 148.757 12.001 7.954 1.00 0.34 H new ATOM 0 HB2 GLU B 35 150.993 11.796 9.038 1.00 0.35 H new ATOM 0 HB3 GLU B 35 151.222 13.529 8.923 1.00 0.35 H new ATOM 0 HG2 GLU B 35 149.181 13.894 10.346 1.00 0.92 H new ATOM 0 HG3 GLU B 35 148.947 12.161 10.457 1.00 0.92 H new ATOM 1938 N GLU B 36 149.446 15.174 7.388 1.00 0.39 N ATOM 1939 CA GLU B 36 148.819 16.523 7.337 1.00 0.44 C ATOM 1940 C GLU B 36 147.672 16.501 6.328 1.00 0.45 C ATOM 1941 O GLU B 36 146.797 17.344 6.339 1.00 0.49 O ATOM 1942 CB GLU B 36 149.869 17.549 6.908 1.00 0.46 C ATOM 1943 CG GLU B 36 149.240 18.943 6.851 1.00 1.11 C ATOM 1944 CD GLU B 36 150.321 19.974 6.534 1.00 1.38 C ATOM 1945 OE1 GLU B 36 151.448 19.569 6.300 1.00 1.99 O ATOM 1946 OE2 GLU B 36 150.002 21.151 6.519 1.00 1.85 O ATOM 0 H GLU B 36 150.411 15.134 7.060 1.00 0.39 H new ATOM 0 HA GLU B 36 148.432 16.794 8.319 1.00 0.44 H new ATOM 0 HB2 GLU B 36 150.703 17.545 7.610 1.00 0.46 H new ATOM 0 HB3 GLU B 36 150.273 17.282 5.931 1.00 0.46 H new ATOM 0 HG2 GLU B 36 148.460 18.971 6.090 1.00 1.11 H new ATOM 0 HG3 GLU B 36 148.765 19.179 7.803 1.00 1.11 H new ATOM 1953 N ARG B 37 147.686 15.543 5.448 1.00 0.42 N ATOM 1954 CA ARG B 37 146.614 15.453 4.417 1.00 0.45 C ATOM 1955 C ARG B 37 145.459 14.589 4.938 1.00 0.42 C ATOM 1956 O ARG B 37 144.489 14.360 4.242 1.00 0.43 O ATOM 1957 CB ARG B 37 147.202 14.841 3.141 1.00 0.45 C ATOM 1958 CG ARG B 37 148.105 15.864 2.419 1.00 0.52 C ATOM 1959 CD ARG B 37 147.272 16.758 1.492 1.00 0.86 C ATOM 1960 NE ARG B 37 148.155 17.791 0.880 1.00 1.42 N ATOM 1961 CZ ARG B 37 147.774 18.427 -0.193 1.00 1.87 C ATOM 1962 NH1 ARG B 37 146.631 18.139 -0.754 1.00 2.15 N ATOM 1963 NH2 ARG B 37 148.543 19.345 -0.713 1.00 2.68 N ATOM 0 H ARG B 37 148.397 14.813 5.397 1.00 0.42 H new ATOM 0 HA ARG B 37 146.228 16.448 4.197 1.00 0.45 H new ATOM 0 HB2 ARG B 37 147.778 13.950 3.390 1.00 0.45 H new ATOM 0 HB3 ARG B 37 146.397 14.525 2.477 1.00 0.45 H new ATOM 0 HG2 ARG B 37 148.627 16.478 3.153 1.00 0.52 H new ATOM 0 HG3 ARG B 37 148.867 15.341 1.841 1.00 0.52 H new ATOM 0 HD2 ARG B 37 146.803 16.157 0.713 1.00 0.86 H new ATOM 0 HD3 ARG B 37 146.469 17.236 2.053 1.00 0.86 H new ATOM 0 HE ARG B 37 149.060 18.001 1.301 1.00 1.42 H new ATOM 0 HH11 ARG B 37 146.034 17.415 -0.353 1.00 2.15 H new ATOM 0 HH12 ARG B 37 146.335 18.638 -1.593 1.00 2.15 H new ATOM 0 HH21 ARG B 37 149.440 19.564 -0.280 1.00 2.68 H new ATOM 0 HH22 ARG B 37 148.247 19.843 -1.552 1.00 2.68 H new ATOM 1977 N GLY B 38 145.529 14.143 6.175 1.00 0.41 N ATOM 1978 CA GLY B 38 144.402 13.336 6.754 1.00 0.39 C ATOM 1979 C GLY B 38 144.724 11.839 6.763 1.00 0.37 C ATOM 1980 O GLY B 38 143.875 11.030 7.081 1.00 0.49 O ATOM 0 H GLY B 38 146.315 14.303 6.806 1.00 0.41 H new ATOM 0 HA2 GLY B 38 144.200 13.671 7.771 1.00 0.39 H new ATOM 0 HA3 GLY B 38 143.495 13.510 6.175 1.00 0.39 H new ATOM 1984 N PHE B 39 145.930 11.452 6.432 1.00 0.31 N ATOM 1985 CA PHE B 39 146.291 9.996 6.436 1.00 0.28 C ATOM 1986 C PHE B 39 147.186 9.690 7.642 1.00 0.28 C ATOM 1987 O PHE B 39 148.385 9.531 7.514 1.00 0.28 O ATOM 1988 CB PHE B 39 147.070 9.675 5.166 1.00 0.27 C ATOM 1989 CG PHE B 39 146.222 9.929 3.942 1.00 0.28 C ATOM 1990 CD1 PHE B 39 146.164 11.213 3.399 1.00 0.31 C ATOM 1991 CD2 PHE B 39 145.511 8.883 3.340 1.00 0.27 C ATOM 1992 CE1 PHE B 39 145.394 11.459 2.257 1.00 0.33 C ATOM 1993 CE2 PHE B 39 144.738 9.128 2.199 1.00 0.30 C ATOM 1994 CZ PHE B 39 144.678 10.416 1.657 1.00 0.32 C ATOM 0 H PHE B 39 146.684 12.081 6.158 1.00 0.31 H new ATOM 0 HA PHE B 39 145.381 9.399 6.488 1.00 0.28 H new ATOM 0 HB2 PHE B 39 147.972 10.285 5.123 1.00 0.27 H new ATOM 0 HB3 PHE B 39 147.390 8.633 5.183 1.00 0.27 H new ATOM 0 HD1 PHE B 39 146.715 12.019 3.861 1.00 0.31 H new ATOM 0 HD2 PHE B 39 145.559 7.888 3.756 1.00 0.27 H new ATOM 0 HE1 PHE B 39 145.352 12.454 1.838 1.00 0.33 H new ATOM 0 HE2 PHE B 39 144.188 8.322 1.737 1.00 0.30 H new ATOM 0 HZ PHE B 39 144.081 10.606 0.777 1.00 0.32 H new ATOM 2004 N ASP B 40 146.618 9.625 8.814 1.00 0.30 N ATOM 2005 CA ASP B 40 147.450 9.349 10.023 1.00 0.31 C ATOM 2006 C ASP B 40 147.751 7.852 10.132 1.00 0.29 C ATOM 2007 O ASP B 40 148.559 7.435 10.938 1.00 0.30 O ATOM 2008 CB ASP B 40 146.691 9.798 11.271 1.00 0.35 C ATOM 2009 CG ASP B 40 145.399 8.993 11.395 1.00 0.37 C ATOM 2010 OD1 ASP B 40 144.980 8.424 10.400 1.00 0.36 O ATOM 2011 OD2 ASP B 40 144.849 8.959 12.483 1.00 0.41 O ATOM 0 H ASP B 40 145.621 9.750 8.989 1.00 0.30 H new ATOM 0 HA ASP B 40 148.389 9.896 9.937 1.00 0.31 H new ATOM 0 HB2 ASP B 40 147.309 9.654 12.157 1.00 0.35 H new ATOM 0 HB3 ASP B 40 146.465 10.863 11.209 1.00 0.35 H new ATOM 2016 N LYS B 41 147.111 7.037 9.331 1.00 0.28 N ATOM 2017 CA LYS B 41 147.363 5.559 9.390 1.00 0.28 C ATOM 2018 C LYS B 41 147.521 5.001 7.974 1.00 0.23 C ATOM 2019 O LYS B 41 147.065 5.576 7.005 1.00 0.23 O ATOM 2020 CB LYS B 41 146.186 4.864 10.077 1.00 0.33 C ATOM 2021 CG LYS B 41 146.016 5.390 11.512 1.00 0.47 C ATOM 2022 CD LYS B 41 147.151 4.877 12.414 1.00 0.74 C ATOM 2023 CE LYS B 41 146.775 5.091 13.882 1.00 0.71 C ATOM 2024 NZ LYS B 41 146.723 6.551 14.169 1.00 1.56 N ATOM 0 H LYS B 41 146.423 7.329 8.637 1.00 0.28 H new ATOM 0 HA LYS B 41 148.277 5.377 9.955 1.00 0.28 H new ATOM 0 HB2 LYS B 41 145.272 5.036 9.509 1.00 0.33 H new ATOM 0 HB3 LYS B 41 146.352 3.787 10.095 1.00 0.33 H new ATOM 0 HG2 LYS B 41 146.012 6.480 11.508 1.00 0.47 H new ATOM 0 HG3 LYS B 41 145.054 5.069 11.911 1.00 0.47 H new ATOM 0 HD2 LYS B 41 147.330 3.819 12.224 1.00 0.74 H new ATOM 0 HD3 LYS B 41 148.078 5.403 12.185 1.00 0.74 H new ATOM 0 HE2 LYS B 41 145.809 4.633 14.092 1.00 0.71 H new ATOM 0 HE3 LYS B 41 147.505 4.607 14.531 1.00 0.71 H new ATOM 0 HZ1 LYS B 41 146.619 6.700 15.193 1.00 1.56 H new ATOM 0 HZ2 LYS B 41 147.601 7.001 13.841 1.00 1.56 H new ATOM 0 HZ3 LYS B 41 145.912 6.973 13.674 1.00 1.56 H new ATOM 2038 N ALA B 42 148.184 3.884 7.860 1.00 0.21 N ATOM 2039 CA ALA B 42 148.411 3.260 6.525 1.00 0.20 C ATOM 2040 C ALA B 42 147.089 2.826 5.883 1.00 0.18 C ATOM 2041 O ALA B 42 146.911 2.944 4.687 1.00 0.18 O ATOM 2042 CB ALA B 42 149.317 2.040 6.690 1.00 0.21 C ATOM 0 H ALA B 42 148.584 3.370 8.645 1.00 0.21 H new ATOM 0 HA ALA B 42 148.881 3.998 5.875 1.00 0.20 H new ATOM 0 HB1 ALA B 42 149.487 1.579 5.717 1.00 0.21 H new ATOM 0 HB2 ALA B 42 150.271 2.350 7.116 1.00 0.21 H new ATOM 0 HB3 ALA B 42 148.840 1.320 7.355 1.00 0.21 H new ATOM 2048 N TYR B 43 146.172 2.291 6.642 1.00 0.18 N ATOM 2049 CA TYR B 43 144.895 1.820 6.031 1.00 0.18 C ATOM 2050 C TYR B 43 144.172 2.966 5.315 1.00 0.17 C ATOM 2051 O TYR B 43 143.349 2.735 4.451 1.00 0.17 O ATOM 2052 CB TYR B 43 143.984 1.184 7.090 1.00 0.20 C ATOM 2053 CG TYR B 43 143.651 2.170 8.189 1.00 0.21 C ATOM 2054 CD1 TYR B 43 142.702 3.173 7.967 1.00 0.21 C ATOM 2055 CD2 TYR B 43 144.273 2.064 9.441 1.00 0.24 C ATOM 2056 CE1 TYR B 43 142.379 4.066 8.992 1.00 0.25 C ATOM 2057 CE2 TYR B 43 143.948 2.962 10.464 1.00 0.28 C ATOM 2058 CZ TYR B 43 143.000 3.963 10.238 1.00 0.27 C ATOM 2059 OH TYR B 43 142.675 4.848 11.245 1.00 0.32 O ATOM 0 H TYR B 43 146.249 2.160 7.651 1.00 0.18 H new ATOM 0 HA TYR B 43 145.140 1.059 5.290 1.00 0.18 H new ATOM 0 HB2 TYR B 43 143.064 0.835 6.620 1.00 0.20 H new ATOM 0 HB3 TYR B 43 144.475 0.310 7.518 1.00 0.20 H new ATOM 0 HD1 TYR B 43 142.219 3.257 7.005 1.00 0.21 H new ATOM 0 HD2 TYR B 43 145.004 1.288 9.616 1.00 0.24 H new ATOM 0 HE1 TYR B 43 141.645 4.840 8.819 1.00 0.25 H new ATOM 0 HE2 TYR B 43 144.430 2.881 11.427 1.00 0.28 H new ATOM 0 HH TYR B 43 142.782 4.408 12.114 1.00 0.32 H new ATOM 2069 N VAL B 44 144.477 4.196 5.632 1.00 0.18 N ATOM 2070 CA VAL B 44 143.809 5.326 4.920 1.00 0.18 C ATOM 2071 C VAL B 44 144.488 5.491 3.556 1.00 0.17 C ATOM 2072 O VAL B 44 143.871 5.825 2.563 1.00 0.17 O ATOM 2073 CB VAL B 44 143.961 6.622 5.726 1.00 0.20 C ATOM 2074 CG1 VAL B 44 143.120 7.736 5.083 1.00 0.21 C ATOM 2075 CG2 VAL B 44 143.486 6.393 7.160 1.00 0.24 C ATOM 0 H VAL B 44 145.153 4.467 6.346 1.00 0.18 H new ATOM 0 HA VAL B 44 142.746 5.116 4.799 1.00 0.18 H new ATOM 0 HB VAL B 44 145.010 6.918 5.732 1.00 0.20 H new ATOM 0 HG11 VAL B 44 143.231 8.655 5.659 1.00 0.21 H new ATOM 0 HG12 VAL B 44 143.460 7.905 4.061 1.00 0.21 H new ATOM 0 HG13 VAL B 44 142.071 7.440 5.072 1.00 0.21 H new ATOM 0 HG21 VAL B 44 143.595 7.315 7.731 1.00 0.24 H new ATOM 0 HG22 VAL B 44 142.438 6.092 7.153 1.00 0.24 H new ATOM 0 HG23 VAL B 44 144.086 5.608 7.621 1.00 0.24 H new ATOM 2085 N VAL B 45 145.769 5.242 3.522 1.00 0.17 N ATOM 2086 CA VAL B 45 146.536 5.361 2.249 1.00 0.17 C ATOM 2087 C VAL B 45 146.221 4.137 1.386 1.00 0.15 C ATOM 2088 O VAL B 45 146.050 4.234 0.186 1.00 0.15 O ATOM 2089 CB VAL B 45 148.035 5.414 2.554 1.00 0.18 C ATOM 2090 CG1 VAL B 45 148.827 5.361 1.247 1.00 0.22 C ATOM 2091 CG2 VAL B 45 148.362 6.713 3.304 1.00 0.20 C ATOM 0 H VAL B 45 146.322 4.958 4.330 1.00 0.17 H new ATOM 0 HA VAL B 45 146.256 6.273 1.721 1.00 0.17 H new ATOM 0 HB VAL B 45 148.308 4.561 3.175 1.00 0.18 H new ATOM 0 HG11 VAL B 45 149.894 5.399 1.466 1.00 0.22 H new ATOM 0 HG12 VAL B 45 148.598 4.435 0.720 1.00 0.22 H new ATOM 0 HG13 VAL B 45 148.555 6.211 0.622 1.00 0.22 H new ATOM 0 HG21 VAL B 45 149.430 6.749 3.520 1.00 0.20 H new ATOM 0 HG22 VAL B 45 148.088 7.568 2.687 1.00 0.20 H new ATOM 0 HG23 VAL B 45 147.801 6.745 4.238 1.00 0.20 H new ATOM 2101 N LEU B 46 146.111 2.992 1.997 1.00 0.17 N ATOM 2102 CA LEU B 46 145.769 1.765 1.228 1.00 0.17 C ATOM 2103 C LEU B 46 144.411 1.980 0.560 1.00 0.17 C ATOM 2104 O LEU B 46 144.186 1.577 -0.564 1.00 0.17 O ATOM 2105 CB LEU B 46 145.708 0.562 2.184 1.00 0.22 C ATOM 2106 CG LEU B 46 145.235 -0.700 1.445 1.00 0.25 C ATOM 2107 CD1 LEU B 46 146.174 -1.014 0.272 1.00 0.40 C ATOM 2108 CD2 LEU B 46 145.229 -1.880 2.422 1.00 0.35 C ATOM 0 H LEU B 46 146.244 2.853 2.999 1.00 0.17 H new ATOM 0 HA LEU B 46 146.525 1.567 0.468 1.00 0.17 H new ATOM 0 HB2 LEU B 46 146.692 0.387 2.618 1.00 0.22 H new ATOM 0 HB3 LEU B 46 145.030 0.781 3.009 1.00 0.22 H new ATOM 0 HG LEU B 46 144.231 -0.531 1.056 1.00 0.25 H new ATOM 0 HD11 LEU B 46 145.827 -1.910 -0.242 1.00 0.40 H new ATOM 0 HD12 LEU B 46 146.180 -0.175 -0.424 1.00 0.40 H new ATOM 0 HD13 LEU B 46 147.183 -1.180 0.648 1.00 0.40 H new ATOM 0 HD21 LEU B 46 144.894 -2.779 1.905 1.00 0.35 H new ATOM 0 HD22 LEU B 46 146.236 -2.037 2.809 1.00 0.35 H new ATOM 0 HD23 LEU B 46 144.552 -1.664 3.249 1.00 0.35 H new ATOM 2120 N GLY B 47 143.504 2.613 1.251 1.00 0.17 N ATOM 2121 CA GLY B 47 142.154 2.859 0.672 1.00 0.18 C ATOM 2122 C GLY B 47 142.281 3.689 -0.609 1.00 0.17 C ATOM 2123 O GLY B 47 141.607 3.440 -1.588 1.00 0.18 O ATOM 0 H GLY B 47 143.641 2.972 2.196 1.00 0.17 H new ATOM 0 HA2 GLY B 47 141.664 1.910 0.454 1.00 0.18 H new ATOM 0 HA3 GLY B 47 141.528 3.383 1.395 1.00 0.18 H new ATOM 2127 N GLN B 48 143.140 4.675 -0.613 1.00 0.17 N ATOM 2128 CA GLN B 48 143.303 5.514 -1.838 1.00 0.18 C ATOM 2129 C GLN B 48 143.747 4.627 -3.005 1.00 0.17 C ATOM 2130 O GLN B 48 143.269 4.752 -4.113 1.00 0.18 O ATOM 2131 CB GLN B 48 144.363 6.592 -1.583 1.00 0.18 C ATOM 2132 CG GLN B 48 144.428 7.546 -2.780 1.00 0.22 C ATOM 2133 CD GLN B 48 143.116 8.329 -2.880 1.00 0.28 C ATOM 2134 OE1 GLN B 48 142.835 9.175 -2.055 1.00 0.97 O ATOM 2135 NE2 GLN B 48 142.293 8.074 -3.861 1.00 1.09 N ATOM 0 H GLN B 48 143.733 4.935 0.175 1.00 0.17 H new ATOM 0 HA GLN B 48 142.354 5.990 -2.082 1.00 0.18 H new ATOM 0 HB2 GLN B 48 144.121 7.147 -0.676 1.00 0.18 H new ATOM 0 HB3 GLN B 48 145.336 6.128 -1.422 1.00 0.18 H new ATOM 0 HG2 GLN B 48 145.266 8.233 -2.666 1.00 0.22 H new ATOM 0 HG3 GLN B 48 144.599 6.984 -3.698 1.00 0.22 H new ATOM 0 HE21 GLN B 48 142.530 7.363 -4.554 1.00 1.09 H new ATOM 0 HE22 GLN B 48 141.414 8.585 -3.935 1.00 1.09 H new ATOM 2144 N PHE B 49 144.648 3.721 -2.756 1.00 0.17 N ATOM 2145 CA PHE B 49 145.125 2.813 -3.837 1.00 0.17 C ATOM 2146 C PHE B 49 143.920 2.040 -4.376 1.00 0.18 C ATOM 2147 O PHE B 49 143.777 1.829 -5.566 1.00 0.19 O ATOM 2148 CB PHE B 49 146.164 1.857 -3.237 1.00 0.18 C ATOM 2149 CG PHE B 49 146.667 0.890 -4.283 1.00 0.20 C ATOM 2150 CD1 PHE B 49 147.408 1.358 -5.376 1.00 0.24 C ATOM 2151 CD2 PHE B 49 146.406 -0.480 -4.149 1.00 0.27 C ATOM 2152 CE1 PHE B 49 147.886 0.454 -6.332 1.00 0.27 C ATOM 2153 CE2 PHE B 49 146.882 -1.380 -5.105 1.00 0.31 C ATOM 2154 CZ PHE B 49 147.622 -0.914 -6.198 1.00 0.27 C ATOM 0 H PHE B 49 145.078 3.568 -1.844 1.00 0.17 H new ATOM 0 HA PHE B 49 145.585 3.368 -4.654 1.00 0.17 H new ATOM 0 HB2 PHE B 49 146.999 2.428 -2.831 1.00 0.18 H new ATOM 0 HB3 PHE B 49 145.722 1.305 -2.407 1.00 0.18 H new ATOM 0 HD1 PHE B 49 147.610 2.414 -5.481 1.00 0.24 H new ATOM 0 HD2 PHE B 49 145.836 -0.841 -3.305 1.00 0.27 H new ATOM 0 HE1 PHE B 49 148.459 0.813 -7.174 1.00 0.27 H new ATOM 0 HE2 PHE B 49 146.679 -2.436 -5.001 1.00 0.31 H new ATOM 0 HZ PHE B 49 147.989 -1.610 -6.938 1.00 0.27 H new ATOM 2164 N LEU B 50 143.058 1.635 -3.504 1.00 0.18 N ATOM 2165 CA LEU B 50 141.851 0.886 -3.954 1.00 0.20 C ATOM 2166 C LEU B 50 140.939 1.851 -4.718 1.00 0.21 C ATOM 2167 O LEU B 50 140.331 1.495 -5.709 1.00 0.23 O ATOM 2168 CB LEU B 50 141.121 0.313 -2.735 1.00 0.22 C ATOM 2169 CG LEU B 50 142.054 -0.639 -1.971 1.00 0.23 C ATOM 2170 CD1 LEU B 50 141.317 -1.197 -0.748 1.00 0.27 C ATOM 2171 CD2 LEU B 50 142.501 -1.800 -2.882 1.00 0.27 C ATOM 0 H LEU B 50 143.129 1.786 -2.498 1.00 0.18 H new ATOM 0 HA LEU B 50 142.136 0.060 -4.606 1.00 0.20 H new ATOM 0 HB2 LEU B 50 140.796 1.122 -2.081 1.00 0.22 H new ATOM 0 HB3 LEU B 50 140.224 -0.219 -3.053 1.00 0.22 H new ATOM 0 HG LEU B 50 142.938 -0.088 -1.649 1.00 0.23 H new ATOM 0 HD11 LEU B 50 141.976 -1.873 -0.203 1.00 0.27 H new ATOM 0 HD12 LEU B 50 141.020 -0.376 -0.096 1.00 0.27 H new ATOM 0 HD13 LEU B 50 140.430 -1.740 -1.074 1.00 0.27 H new ATOM 0 HD21 LEU B 50 143.161 -2.465 -2.326 1.00 0.27 H new ATOM 0 HD22 LEU B 50 141.626 -2.356 -3.219 1.00 0.27 H new ATOM 0 HD23 LEU B 50 143.032 -1.401 -3.746 1.00 0.27 H new ATOM 2183 N VAL B 51 140.837 3.066 -4.262 1.00 0.21 N ATOM 2184 CA VAL B 51 139.961 4.062 -4.947 1.00 0.23 C ATOM 2185 C VAL B 51 140.472 4.327 -6.370 1.00 0.23 C ATOM 2186 O VAL B 51 139.728 4.745 -7.236 1.00 0.25 O ATOM 2187 CB VAL B 51 139.966 5.368 -4.139 1.00 0.25 C ATOM 2188 CG1 VAL B 51 139.275 6.484 -4.936 1.00 0.28 C ATOM 2189 CG2 VAL B 51 139.229 5.151 -2.808 1.00 0.27 C ATOM 0 H VAL B 51 141.325 3.417 -3.438 1.00 0.21 H new ATOM 0 HA VAL B 51 138.946 3.671 -5.011 1.00 0.23 H new ATOM 0 HB VAL B 51 140.997 5.661 -3.941 1.00 0.25 H new ATOM 0 HG11 VAL B 51 139.284 7.406 -4.354 1.00 0.28 H new ATOM 0 HG12 VAL B 51 139.805 6.642 -5.875 1.00 0.28 H new ATOM 0 HG13 VAL B 51 138.244 6.197 -5.145 1.00 0.28 H new ATOM 0 HG21 VAL B 51 139.233 6.078 -2.235 1.00 0.27 H new ATOM 0 HG22 VAL B 51 138.200 4.851 -3.007 1.00 0.27 H new ATOM 0 HG23 VAL B 51 139.731 4.370 -2.237 1.00 0.27 H new ATOM 2199 N LEU B 52 141.738 4.107 -6.615 1.00 0.22 N ATOM 2200 CA LEU B 52 142.302 4.368 -7.979 1.00 0.23 C ATOM 2201 C LEU B 52 142.320 3.082 -8.816 1.00 0.23 C ATOM 2202 O LEU B 52 142.975 3.014 -9.837 1.00 0.24 O ATOM 2203 CB LEU B 52 143.726 4.916 -7.843 1.00 0.24 C ATOM 2204 CG LEU B 52 143.711 6.226 -7.042 1.00 0.25 C ATOM 2205 CD1 LEU B 52 145.145 6.741 -6.898 1.00 0.30 C ATOM 2206 CD2 LEU B 52 142.850 7.286 -7.755 1.00 0.27 C ATOM 0 H LEU B 52 142.409 3.757 -5.930 1.00 0.22 H new ATOM 0 HA LEU B 52 141.671 5.099 -8.485 1.00 0.23 H new ATOM 0 HB2 LEU B 52 144.360 4.183 -7.345 1.00 0.24 H new ATOM 0 HB3 LEU B 52 144.154 5.089 -8.831 1.00 0.24 H new ATOM 0 HG LEU B 52 143.282 6.036 -6.058 1.00 0.25 H new ATOM 0 HD11 LEU B 52 145.142 7.671 -6.330 1.00 0.30 H new ATOM 0 HD12 LEU B 52 145.747 5.998 -6.375 1.00 0.30 H new ATOM 0 HD13 LEU B 52 145.568 6.921 -7.886 1.00 0.30 H new ATOM 0 HD21 LEU B 52 142.851 8.207 -7.173 1.00 0.27 H new ATOM 0 HD22 LEU B 52 143.261 7.482 -8.745 1.00 0.27 H new ATOM 0 HD23 LEU B 52 141.828 6.919 -7.852 1.00 0.27 H new ATOM 2218 N LYS B 53 141.598 2.073 -8.421 1.00 0.23 N ATOM 2219 CA LYS B 53 141.568 0.818 -9.225 1.00 0.24 C ATOM 2220 C LYS B 53 142.987 0.373 -9.588 1.00 0.24 C ATOM 2221 O LYS B 53 143.236 -0.065 -10.692 1.00 0.30 O ATOM 2222 CB LYS B 53 140.767 1.057 -10.506 1.00 0.29 C ATOM 2223 CG LYS B 53 139.301 1.317 -10.143 1.00 0.39 C ATOM 2224 CD LYS B 53 138.498 1.657 -11.405 1.00 0.48 C ATOM 2225 CE LYS B 53 138.433 0.443 -12.345 1.00 0.92 C ATOM 2226 NZ LYS B 53 139.649 0.419 -13.207 1.00 1.71 N ATOM 0 H LYS B 53 141.027 2.061 -7.576 1.00 0.23 H new ATOM 0 HA LYS B 53 141.098 0.034 -8.631 1.00 0.24 H new ATOM 0 HB2 LYS B 53 141.175 1.908 -11.051 1.00 0.29 H new ATOM 0 HB3 LYS B 53 140.843 0.191 -11.164 1.00 0.29 H new ATOM 0 HG2 LYS B 53 138.877 0.438 -9.658 1.00 0.39 H new ATOM 0 HG3 LYS B 53 139.235 2.138 -9.429 1.00 0.39 H new ATOM 0 HD2 LYS B 53 137.490 1.965 -11.129 1.00 0.48 H new ATOM 0 HD3 LYS B 53 138.959 2.499 -11.921 1.00 0.48 H new ATOM 0 HE2 LYS B 53 138.367 -0.477 -11.765 1.00 0.92 H new ATOM 0 HE3 LYS B 53 137.537 0.495 -12.963 1.00 0.92 H new ATOM 0 HZ1 LYS B 53 139.365 0.391 -14.207 1.00 1.71 H new ATOM 0 HZ2 LYS B 53 140.216 1.273 -13.031 1.00 1.71 H new ATOM 0 HZ3 LYS B 53 140.216 -0.424 -12.985 1.00 1.71 H new ATOM 2240 N LYS B 54 143.917 0.483 -8.669 1.00 0.23 N ATOM 2241 CA LYS B 54 145.328 0.058 -8.940 1.00 0.26 C ATOM 2242 C LYS B 54 145.889 0.845 -10.126 1.00 0.28 C ATOM 2243 O LYS B 54 146.868 0.450 -10.731 1.00 0.34 O ATOM 2244 CB LYS B 54 145.360 -1.446 -9.258 1.00 0.36 C ATOM 2245 CG LYS B 54 144.825 -2.233 -8.062 1.00 0.67 C ATOM 2246 CD LYS B 54 144.835 -3.731 -8.387 1.00 0.83 C ATOM 2247 CE LYS B 54 144.312 -4.518 -7.184 1.00 1.41 C ATOM 2248 NZ LYS B 54 143.980 -5.911 -7.600 1.00 2.25 N ATOM 0 H LYS B 54 143.757 0.853 -7.732 1.00 0.23 H new ATOM 0 HA LYS B 54 145.938 0.256 -8.059 1.00 0.26 H new ATOM 0 HB2 LYS B 54 144.758 -1.654 -10.142 1.00 0.36 H new ATOM 0 HB3 LYS B 54 146.379 -1.759 -9.486 1.00 0.36 H new ATOM 0 HG2 LYS B 54 145.437 -2.037 -7.182 1.00 0.67 H new ATOM 0 HG3 LYS B 54 143.812 -1.909 -7.824 1.00 0.67 H new ATOM 0 HD2 LYS B 54 144.215 -3.928 -9.261 1.00 0.83 H new ATOM 0 HD3 LYS B 54 145.846 -4.054 -8.634 1.00 0.83 H new ATOM 0 HE2 LYS B 54 145.062 -4.533 -6.393 1.00 1.41 H new ATOM 0 HE3 LYS B 54 143.428 -4.030 -6.775 1.00 1.41 H new ATOM 0 HZ1 LYS B 54 143.625 -6.443 -6.780 1.00 2.25 H new ATOM 0 HZ2 LYS B 54 143.250 -5.888 -8.340 1.00 2.25 H new ATOM 0 HZ3 LYS B 54 144.834 -6.375 -7.971 1.00 2.25 H new ATOM 2262 N ASP B 55 145.307 1.964 -10.459 1.00 0.30 N ATOM 2263 CA ASP B 55 145.855 2.753 -11.596 1.00 0.39 C ATOM 2264 C ASP B 55 147.220 3.304 -11.167 1.00 0.38 C ATOM 2265 O ASP B 55 147.315 4.187 -10.340 1.00 0.37 O ATOM 2266 CB ASP B 55 144.893 3.893 -11.931 1.00 0.47 C ATOM 2267 CG ASP B 55 143.650 3.322 -12.615 1.00 1.18 C ATOM 2268 OD1 ASP B 55 143.794 2.355 -13.347 1.00 1.80 O ATOM 2269 OD2 ASP B 55 142.576 3.856 -12.393 1.00 1.54 O ATOM 0 H ASP B 55 144.487 2.361 -10.000 1.00 0.30 H new ATOM 0 HA ASP B 55 145.971 2.133 -12.485 1.00 0.39 H new ATOM 0 HB2 ASP B 55 144.610 4.424 -11.022 1.00 0.47 H new ATOM 0 HB3 ASP B 55 145.382 4.616 -12.584 1.00 0.47 H new ATOM 2274 N GLU B 56 148.278 2.754 -11.701 1.00 0.39 N ATOM 2275 CA GLU B 56 149.652 3.191 -11.312 1.00 0.38 C ATOM 2276 C GLU B 56 149.916 4.666 -11.640 1.00 0.38 C ATOM 2277 O GLU B 56 150.534 5.369 -10.871 1.00 0.38 O ATOM 2278 CB GLU B 56 150.665 2.313 -12.055 1.00 0.40 C ATOM 2279 CG GLU B 56 152.093 2.722 -11.682 1.00 0.41 C ATOM 2280 CD GLU B 56 153.083 1.743 -12.321 1.00 0.63 C ATOM 2281 OE1 GLU B 56 152.632 0.784 -12.923 1.00 0.88 O ATOM 2282 OE2 GLU B 56 154.277 1.970 -12.194 1.00 0.85 O ATOM 0 H GLU B 56 148.249 2.011 -12.399 1.00 0.39 H new ATOM 0 HA GLU B 56 149.750 3.083 -10.232 1.00 0.38 H new ATOM 0 HB2 GLU B 56 150.502 1.265 -11.804 1.00 0.40 H new ATOM 0 HB3 GLU B 56 150.521 2.409 -13.131 1.00 0.40 H new ATOM 0 HG2 GLU B 56 152.294 3.737 -12.025 1.00 0.41 H new ATOM 0 HG3 GLU B 56 152.212 2.722 -10.599 1.00 0.41 H new ATOM 2289 N ASP B 57 149.473 5.149 -12.767 1.00 0.40 N ATOM 2290 CA ASP B 57 149.735 6.580 -13.104 1.00 0.42 C ATOM 2291 C ASP B 57 148.918 7.486 -12.188 1.00 0.41 C ATOM 2292 O ASP B 57 149.393 8.503 -11.728 1.00 0.41 O ATOM 2293 CB ASP B 57 149.361 6.850 -14.563 1.00 0.45 C ATOM 2294 CG ASP B 57 150.361 6.151 -15.485 1.00 0.47 C ATOM 2295 OD1 ASP B 57 151.470 5.902 -15.041 1.00 0.65 O ATOM 2296 OD2 ASP B 57 150.002 5.878 -16.618 1.00 0.74 O ATOM 0 H ASP B 57 148.946 4.623 -13.464 1.00 0.40 H new ATOM 0 HA ASP B 57 150.795 6.789 -12.963 1.00 0.42 H new ATOM 0 HB2 ASP B 57 148.352 6.489 -14.763 1.00 0.45 H new ATOM 0 HB3 ASP B 57 149.360 7.923 -14.757 1.00 0.45 H new ATOM 2301 N LEU B 58 147.708 7.124 -11.900 1.00 0.40 N ATOM 2302 CA LEU B 58 146.900 7.987 -10.993 1.00 0.40 C ATOM 2303 C LEU B 58 147.472 7.897 -9.580 1.00 0.38 C ATOM 2304 O LEU B 58 147.562 8.883 -8.877 1.00 0.38 O ATOM 2305 CB LEU B 58 145.438 7.532 -10.971 1.00 0.41 C ATOM 2306 CG LEU B 58 144.825 7.623 -12.372 1.00 0.47 C ATOM 2307 CD1 LEU B 58 143.374 7.123 -12.320 1.00 0.45 C ATOM 2308 CD2 LEU B 58 144.849 9.082 -12.868 1.00 0.55 C ATOM 0 H LEU B 58 147.244 6.283 -12.244 1.00 0.40 H new ATOM 0 HA LEU B 58 146.942 9.014 -11.356 1.00 0.40 H new ATOM 0 HB2 LEU B 58 145.376 6.507 -10.607 1.00 0.41 H new ATOM 0 HB3 LEU B 58 144.869 8.152 -10.278 1.00 0.41 H new ATOM 0 HG LEU B 58 145.405 7.007 -13.059 1.00 0.47 H new ATOM 0 HD11 LEU B 58 142.932 7.185 -13.314 1.00 0.45 H new ATOM 0 HD12 LEU B 58 143.358 6.088 -11.980 1.00 0.45 H new ATOM 0 HD13 LEU B 58 142.801 7.741 -11.629 1.00 0.45 H new ATOM 0 HD21 LEU B 58 144.411 9.135 -13.865 1.00 0.55 H new ATOM 0 HD22 LEU B 58 144.274 9.708 -12.185 1.00 0.55 H new ATOM 0 HD23 LEU B 58 145.879 9.437 -12.905 1.00 0.55 H new ATOM 2320 N PHE B 59 147.874 6.726 -9.159 1.00 0.37 N ATOM 2321 CA PHE B 59 148.454 6.596 -7.793 1.00 0.35 C ATOM 2322 C PHE B 59 149.754 7.398 -7.713 1.00 0.36 C ATOM 2323 O PHE B 59 149.962 8.175 -6.805 1.00 0.35 O ATOM 2324 CB PHE B 59 148.743 5.127 -7.489 1.00 0.35 C ATOM 2325 CG PHE B 59 149.329 5.006 -6.101 1.00 0.34 C ATOM 2326 CD1 PHE B 59 148.481 4.828 -5.002 1.00 0.35 C ATOM 2327 CD2 PHE B 59 150.715 5.077 -5.915 1.00 0.37 C ATOM 2328 CE1 PHE B 59 149.019 4.719 -3.713 1.00 0.37 C ATOM 2329 CE2 PHE B 59 151.254 4.967 -4.627 1.00 0.38 C ATOM 2330 CZ PHE B 59 150.406 4.788 -3.526 1.00 0.37 C ATOM 0 H PHE B 59 147.826 5.862 -9.698 1.00 0.37 H new ATOM 0 HA PHE B 59 147.741 6.980 -7.063 1.00 0.35 H new ATOM 0 HB2 PHE B 59 147.826 4.542 -7.560 1.00 0.35 H new ATOM 0 HB3 PHE B 59 149.437 4.722 -8.225 1.00 0.35 H new ATOM 0 HD1 PHE B 59 147.412 4.775 -5.148 1.00 0.35 H new ATOM 0 HD2 PHE B 59 151.368 5.216 -6.764 1.00 0.37 H new ATOM 0 HE1 PHE B 59 148.365 4.582 -2.864 1.00 0.37 H new ATOM 0 HE2 PHE B 59 152.323 5.020 -4.482 1.00 0.38 H new ATOM 0 HZ PHE B 59 150.822 4.703 -2.533 1.00 0.37 H new ATOM 2340 N ARG B 60 150.641 7.197 -8.656 1.00 0.38 N ATOM 2341 CA ARG B 60 151.938 7.931 -8.630 1.00 0.39 C ATOM 2342 C ARG B 60 151.703 9.440 -8.706 1.00 0.40 C ATOM 2343 O ARG B 60 152.280 10.201 -7.955 1.00 0.39 O ATOM 2344 CB ARG B 60 152.807 7.491 -9.814 1.00 0.43 C ATOM 2345 CG ARG B 60 153.282 6.054 -9.595 1.00 0.44 C ATOM 2346 CD ARG B 60 154.213 5.639 -10.738 1.00 0.51 C ATOM 2347 NE ARG B 60 154.315 4.143 -10.796 1.00 1.31 N ATOM 2348 CZ ARG B 60 154.645 3.439 -9.744 1.00 1.54 C ATOM 2349 NH1 ARG B 60 155.102 4.021 -8.671 1.00 1.15 N ATOM 2350 NH2 ARG B 60 154.577 2.137 -9.794 1.00 2.64 N ATOM 0 H ARG B 60 150.521 6.557 -9.441 1.00 0.38 H new ATOM 0 HA ARG B 60 152.447 7.700 -7.694 1.00 0.39 H new ATOM 0 HB2 ARG B 60 152.238 7.559 -10.741 1.00 0.43 H new ATOM 0 HB3 ARG B 60 153.664 8.157 -9.916 1.00 0.43 H new ATOM 0 HG2 ARG B 60 153.803 5.974 -8.641 1.00 0.44 H new ATOM 0 HG3 ARG B 60 152.426 5.381 -9.548 1.00 0.44 H new ATOM 0 HD2 ARG B 60 153.834 6.023 -11.685 1.00 0.51 H new ATOM 0 HD3 ARG B 60 155.201 6.074 -10.590 1.00 0.51 H new ATOM 0 HE ARG B 60 154.123 3.664 -11.676 1.00 1.31 H new ATOM 0 HH11 ARG B 60 155.205 5.035 -8.646 1.00 1.15 H new ATOM 0 HH12 ARG B 60 155.356 3.462 -7.857 1.00 1.15 H new ATOM 0 HH21 ARG B 60 154.268 1.675 -10.649 1.00 2.64 H new ATOM 0 HH22 ARG B 60 154.833 1.581 -8.978 1.00 2.64 H new ATOM 2364 N GLU B 61 150.860 9.888 -9.594 1.00 0.42 N ATOM 2365 CA GLU B 61 150.602 11.347 -9.690 1.00 0.44 C ATOM 2366 C GLU B 61 149.959 11.824 -8.387 1.00 0.42 C ATOM 2367 O GLU B 61 150.253 12.897 -7.896 1.00 0.43 O ATOM 2368 CB GLU B 61 149.655 11.620 -10.863 1.00 0.48 C ATOM 2369 CG GLU B 61 150.381 11.363 -12.185 1.00 1.30 C ATOM 2370 CD GLU B 61 149.408 11.571 -13.348 1.00 1.77 C ATOM 2371 OE1 GLU B 61 148.229 11.748 -13.085 1.00 2.38 O ATOM 2372 OE2 GLU B 61 149.857 11.550 -14.482 1.00 2.33 O ATOM 0 H GLU B 61 150.342 9.308 -10.254 1.00 0.42 H new ATOM 0 HA GLU B 61 151.538 11.880 -9.854 1.00 0.44 H new ATOM 0 HB2 GLU B 61 148.776 10.979 -10.790 1.00 0.48 H new ATOM 0 HB3 GLU B 61 149.302 12.651 -10.825 1.00 0.48 H new ATOM 0 HG2 GLU B 61 151.231 12.038 -12.283 1.00 1.30 H new ATOM 0 HG3 GLU B 61 150.776 10.347 -12.204 1.00 1.30 H new ATOM 2379 N TRP B 62 149.091 11.033 -7.819 1.00 0.40 N ATOM 2380 CA TRP B 62 148.437 11.443 -6.543 1.00 0.39 C ATOM 2381 C TRP B 62 149.465 11.499 -5.410 1.00 0.36 C ATOM 2382 O TRP B 62 149.495 12.433 -4.636 1.00 0.36 O ATOM 2383 CB TRP B 62 147.336 10.430 -6.179 1.00 0.38 C ATOM 2384 CG TRP B 62 146.887 10.649 -4.764 1.00 0.36 C ATOM 2385 CD1 TRP B 62 145.901 11.491 -4.375 1.00 0.39 C ATOM 2386 CD2 TRP B 62 147.407 10.039 -3.545 1.00 0.34 C ATOM 2387 NE1 TRP B 62 145.781 11.431 -2.997 1.00 0.37 N ATOM 2388 CE2 TRP B 62 146.688 10.551 -2.440 1.00 0.34 C ATOM 2389 CE3 TRP B 62 148.423 9.097 -3.295 1.00 0.32 C ATOM 2390 CZ2 TRP B 62 146.967 10.145 -1.132 1.00 0.34 C ATOM 2391 CZ3 TRP B 62 148.704 8.686 -1.981 1.00 0.31 C ATOM 2392 CH2 TRP B 62 147.977 9.209 -0.903 1.00 0.32 C ATOM 0 H TRP B 62 148.806 10.123 -8.181 1.00 0.40 H new ATOM 0 HA TRP B 62 148.001 12.433 -6.677 1.00 0.39 H new ATOM 0 HB2 TRP B 62 146.491 10.539 -6.859 1.00 0.38 H new ATOM 0 HB3 TRP B 62 147.712 9.414 -6.297 1.00 0.38 H new ATOM 0 HD1 TRP B 62 145.306 12.108 -5.032 1.00 0.39 H new ATOM 0 HE1 TRP B 62 145.104 11.972 -2.458 1.00 0.37 H new ATOM 0 HE3 TRP B 62 148.990 8.688 -4.118 1.00 0.32 H new ATOM 0 HZ2 TRP B 62 146.405 10.552 -0.304 1.00 0.34 H new ATOM 0 HZ3 TRP B 62 149.485 7.962 -1.801 1.00 0.31 H new ATOM 0 HH2 TRP B 62 148.198 8.888 0.104 1.00 0.32 H new ATOM 2403 N LEU B 63 150.302 10.509 -5.306 1.00 0.34 N ATOM 2404 CA LEU B 63 151.316 10.504 -4.216 1.00 0.32 C ATOM 2405 C LEU B 63 152.315 11.640 -4.427 1.00 0.33 C ATOM 2406 O LEU B 63 152.612 12.396 -3.523 1.00 0.32 O ATOM 2407 CB LEU B 63 152.052 9.158 -4.225 1.00 0.31 C ATOM 2408 CG LEU B 63 153.168 9.146 -3.170 1.00 0.30 C ATOM 2409 CD1 LEU B 63 152.580 9.364 -1.770 1.00 0.30 C ATOM 2410 CD2 LEU B 63 153.891 7.797 -3.226 1.00 0.32 C ATOM 0 H LEU B 63 150.329 9.701 -5.928 1.00 0.34 H new ATOM 0 HA LEU B 63 150.820 10.647 -3.256 1.00 0.32 H new ATOM 0 HB2 LEU B 63 151.347 8.351 -4.026 1.00 0.31 H new ATOM 0 HB3 LEU B 63 152.476 8.975 -5.213 1.00 0.31 H new ATOM 0 HG LEU B 63 153.871 9.952 -3.379 1.00 0.30 H new ATOM 0 HD11 LEU B 63 153.383 9.353 -1.033 1.00 0.30 H new ATOM 0 HD12 LEU B 63 152.069 10.326 -1.736 1.00 0.30 H new ATOM 0 HD13 LEU B 63 151.870 8.568 -1.546 1.00 0.30 H new ATOM 0 HD21 LEU B 63 154.686 7.779 -2.480 1.00 0.32 H new ATOM 0 HD22 LEU B 63 153.182 6.995 -3.020 1.00 0.32 H new ATOM 0 HD23 LEU B 63 154.321 7.655 -4.218 1.00 0.32 H new ATOM 2422 N LYS B 64 152.837 11.762 -5.610 1.00 0.35 N ATOM 2423 CA LYS B 64 153.818 12.847 -5.879 1.00 0.37 C ATOM 2424 C LYS B 64 153.142 14.200 -5.670 1.00 0.38 C ATOM 2425 O LYS B 64 153.686 15.096 -5.056 1.00 0.38 O ATOM 2426 CB LYS B 64 154.341 12.741 -7.312 1.00 0.41 C ATOM 2427 CG LYS B 64 155.441 13.785 -7.529 1.00 0.43 C ATOM 2428 CD LYS B 64 155.966 13.681 -8.959 1.00 0.68 C ATOM 2429 CE LYS B 64 157.078 14.711 -9.171 1.00 1.24 C ATOM 2430 NZ LYS B 64 158.220 14.400 -8.262 1.00 2.10 N ATOM 0 H LYS B 64 152.628 11.158 -6.405 1.00 0.35 H new ATOM 0 HA LYS B 64 154.660 12.750 -5.193 1.00 0.37 H new ATOM 0 HB2 LYS B 64 154.732 11.740 -7.495 1.00 0.41 H new ATOM 0 HB3 LYS B 64 153.528 12.900 -8.021 1.00 0.41 H new ATOM 0 HG2 LYS B 64 155.049 14.785 -7.346 1.00 0.43 H new ATOM 0 HG3 LYS B 64 156.253 13.626 -6.820 1.00 0.43 H new ATOM 0 HD2 LYS B 64 156.346 12.677 -9.146 1.00 0.68 H new ATOM 0 HD3 LYS B 64 155.156 13.853 -9.668 1.00 0.68 H new ATOM 0 HE2 LYS B 64 157.410 14.696 -10.209 1.00 1.24 H new ATOM 0 HE3 LYS B 64 156.702 15.715 -8.971 1.00 1.24 H new ATOM 0 HZ1 LYS B 64 159.090 14.829 -8.638 1.00 2.10 H new ATOM 0 HZ2 LYS B 64 158.025 14.785 -7.316 1.00 2.10 H new ATOM 0 HZ3 LYS B 64 158.342 13.369 -8.198 1.00 2.10 H new ATOM 2444 N ASP B 65 151.950 14.346 -6.178 1.00 0.41 N ATOM 2445 CA ASP B 65 151.215 15.629 -6.016 1.00 0.44 C ATOM 2446 C ASP B 65 150.806 15.807 -4.554 1.00 0.43 C ATOM 2447 O ASP B 65 150.711 16.910 -4.055 1.00 0.45 O ATOM 2448 CB ASP B 65 149.962 15.620 -6.892 1.00 0.48 C ATOM 2449 CG ASP B 65 149.290 16.992 -6.825 1.00 1.17 C ATOM 2450 OD1 ASP B 65 148.776 17.323 -5.770 1.00 1.90 O ATOM 2451 OD2 ASP B 65 149.302 17.689 -7.826 1.00 1.41 O ATOM 0 H ASP B 65 151.451 13.626 -6.701 1.00 0.41 H new ATOM 0 HA ASP B 65 151.864 16.452 -6.316 1.00 0.44 H new ATOM 0 HB2 ASP B 65 150.226 15.381 -7.922 1.00 0.48 H new ATOM 0 HB3 ASP B 65 149.272 14.847 -6.553 1.00 0.48 H new ATOM 2456 N THR B 66 150.525 14.731 -3.873 1.00 0.39 N ATOM 2457 CA THR B 66 150.079 14.844 -2.457 1.00 0.39 C ATOM 2458 C THR B 66 151.265 15.063 -1.511 1.00 0.38 C ATOM 2459 O THR B 66 151.108 15.698 -0.486 1.00 0.40 O ATOM 2460 CB THR B 66 149.326 13.573 -2.054 1.00 0.37 C ATOM 2461 OG1 THR B 66 148.218 13.387 -2.925 1.00 0.37 O ATOM 2462 CG2 THR B 66 148.821 13.712 -0.618 1.00 0.38 C ATOM 0 H THR B 66 150.585 13.779 -4.236 1.00 0.39 H new ATOM 0 HA THR B 66 149.420 15.709 -2.377 1.00 0.39 H new ATOM 0 HB THR B 66 149.996 12.716 -2.123 1.00 0.37 H new ATOM 0 HG1 THR B 66 148.442 12.712 -3.600 1.00 0.37 H new ATOM 0 HG21 THR B 66 148.285 12.807 -0.332 1.00 0.38 H new ATOM 0 HG22 THR B 66 149.667 13.860 0.053 1.00 0.38 H new ATOM 0 HG23 THR B 66 148.150 14.568 -0.550 1.00 0.38 H new ATOM 2470 N CYS B 67 152.439 14.534 -1.796 1.00 0.36 N ATOM 2471 CA CYS B 67 153.596 14.717 -0.852 1.00 0.37 C ATOM 2472 C CYS B 67 154.873 15.154 -1.579 1.00 0.37 C ATOM 2473 O CYS B 67 155.707 15.837 -1.017 1.00 0.39 O ATOM 2474 CB CYS B 67 153.867 13.391 -0.140 1.00 0.36 C ATOM 2475 SG CYS B 67 154.502 12.181 -1.326 1.00 0.36 S ATOM 0 H CYS B 67 152.644 13.989 -2.633 1.00 0.36 H new ATOM 0 HA CYS B 67 153.327 15.501 -0.144 1.00 0.37 H new ATOM 0 HB2 CYS B 67 154.588 13.539 0.664 1.00 0.36 H new ATOM 0 HB3 CYS B 67 152.951 13.019 0.318 1.00 0.36 H new ATOM 0 HG CYS B 67 153.625 11.995 -2.267 1.00 0.36 H new ATOM 2481 N GLY B 68 155.043 14.760 -2.819 1.00 0.35 N ATOM 2482 CA GLY B 68 156.278 15.144 -3.578 1.00 0.36 C ATOM 2483 C GLY B 68 157.197 13.924 -3.692 1.00 0.34 C ATOM 2484 O GLY B 68 158.360 14.044 -4.020 1.00 0.33 O ATOM 0 H GLY B 68 154.379 14.188 -3.340 1.00 0.35 H new ATOM 0 HA2 GLY B 68 156.011 15.508 -4.570 1.00 0.36 H new ATOM 0 HA3 GLY B 68 156.795 15.957 -3.068 1.00 0.36 H new ATOM 2488 N ALA B 69 156.689 12.750 -3.425 1.00 0.32 N ATOM 2489 CA ALA B 69 157.540 11.528 -3.521 1.00 0.31 C ATOM 2490 C ALA B 69 158.263 11.517 -4.867 1.00 0.31 C ATOM 2491 O ALA B 69 157.796 12.084 -5.836 1.00 0.32 O ATOM 2492 CB ALA B 69 156.658 10.285 -3.417 1.00 0.31 C ATOM 0 H ALA B 69 155.722 12.585 -3.145 1.00 0.32 H new ATOM 0 HA ALA B 69 158.270 11.530 -2.711 1.00 0.31 H new ATOM 0 HB1 ALA B 69 157.279 9.392 -3.487 1.00 0.31 H new ATOM 0 HB2 ALA B 69 156.135 10.289 -2.461 1.00 0.31 H new ATOM 0 HB3 ALA B 69 155.931 10.286 -4.229 1.00 0.31 H new ATOM 2498 N ASN B 70 159.405 10.887 -4.937 1.00 0.29 N ATOM 2499 CA ASN B 70 160.161 10.852 -6.222 1.00 0.29 C ATOM 2500 C ASN B 70 159.767 9.608 -7.019 1.00 0.29 C ATOM 2501 O ASN B 70 159.005 8.776 -6.566 1.00 0.29 O ATOM 2502 CB ASN B 70 161.663 10.807 -5.922 1.00 0.29 C ATOM 2503 CG ASN B 70 162.087 12.112 -5.251 1.00 1.07 C ATOM 2504 OD1 ASN B 70 162.898 12.109 -4.345 1.00 1.91 O ATOM 2505 ND2 ASN B 70 161.565 13.236 -5.656 1.00 1.78 N ATOM 0 H ASN B 70 159.847 10.395 -4.160 1.00 0.29 H new ATOM 0 HA ASN B 70 159.927 11.743 -6.805 1.00 0.29 H new ATOM 0 HB2 ASN B 70 161.890 9.961 -5.273 1.00 0.29 H new ATOM 0 HB3 ASN B 70 162.225 10.661 -6.844 1.00 0.29 H new ATOM 0 HD21 ASN B 70 161.837 14.114 -5.213 1.00 1.78 H new ATOM 0 HD22 ASN B 70 160.885 13.238 -6.416 1.00 1.78 H new ATOM 2512 N ALA B 71 160.276 9.486 -8.209 1.00 0.31 N ATOM 2513 CA ALA B 71 159.936 8.310 -9.056 1.00 0.33 C ATOM 2514 C ALA B 71 160.359 7.016 -8.355 1.00 0.31 C ATOM 2515 O ALA B 71 159.685 6.012 -8.436 1.00 0.31 O ATOM 2516 CB ALA B 71 160.670 8.420 -10.393 1.00 0.38 C ATOM 0 H ALA B 71 160.918 10.154 -8.636 1.00 0.31 H new ATOM 0 HA ALA B 71 158.859 8.292 -9.223 1.00 0.33 H new ATOM 0 HB1 ALA B 71 160.423 7.560 -11.016 1.00 0.38 H new ATOM 0 HB2 ALA B 71 160.366 9.335 -10.901 1.00 0.38 H new ATOM 0 HB3 ALA B 71 161.745 8.443 -10.217 1.00 0.38 H new ATOM 2522 N LYS B 72 161.465 7.027 -7.667 1.00 0.29 N ATOM 2523 CA LYS B 72 161.909 5.785 -6.973 1.00 0.28 C ATOM 2524 C LYS B 72 161.037 5.534 -5.741 1.00 0.26 C ATOM 2525 O LYS B 72 160.689 4.411 -5.433 1.00 0.26 O ATOM 2526 CB LYS B 72 163.376 5.918 -6.551 1.00 0.28 C ATOM 2527 CG LYS B 72 164.266 6.140 -7.785 1.00 1.18 C ATOM 2528 CD LYS B 72 164.230 4.905 -8.700 1.00 1.28 C ATOM 2529 CE LYS B 72 165.453 4.905 -9.622 1.00 2.10 C ATOM 2530 NZ LYS B 72 166.650 4.455 -8.854 1.00 2.57 N ATOM 0 H LYS B 72 162.078 7.835 -7.555 1.00 0.29 H new ATOM 0 HA LYS B 72 161.809 4.943 -7.658 1.00 0.28 H new ATOM 0 HB2 LYS B 72 163.488 6.752 -5.858 1.00 0.28 H new ATOM 0 HB3 LYS B 72 163.693 5.019 -6.022 1.00 0.28 H new ATOM 0 HG2 LYS B 72 163.925 7.018 -8.334 1.00 1.18 H new ATOM 0 HG3 LYS B 72 165.291 6.339 -7.471 1.00 1.18 H new ATOM 0 HD2 LYS B 72 164.217 3.996 -8.099 1.00 1.28 H new ATOM 0 HD3 LYS B 72 163.316 4.908 -9.294 1.00 1.28 H new ATOM 0 HE2 LYS B 72 165.282 4.244 -10.472 1.00 2.10 H new ATOM 0 HE3 LYS B 72 165.619 5.904 -10.024 1.00 2.10 H new ATOM 0 HZ1 LYS B 72 167.409 4.194 -9.515 1.00 2.57 H new ATOM 0 HZ2 LYS B 72 166.978 5.226 -8.238 1.00 2.57 H new ATOM 0 HZ3 LYS B 72 166.399 3.630 -8.272 1.00 2.57 H new ATOM 2544 N GLN B 73 160.694 6.567 -5.021 1.00 0.25 N ATOM 2545 CA GLN B 73 159.866 6.391 -3.796 1.00 0.24 C ATOM 2546 C GLN B 73 158.462 5.915 -4.162 1.00 0.25 C ATOM 2547 O GLN B 73 157.860 5.124 -3.460 1.00 0.25 O ATOM 2548 CB GLN B 73 159.778 7.723 -3.046 1.00 0.26 C ATOM 2549 CG GLN B 73 161.145 8.052 -2.438 1.00 0.28 C ATOM 2550 CD GLN B 73 161.107 9.446 -1.811 1.00 1.25 C ATOM 2551 OE1 GLN B 73 160.272 10.260 -2.156 1.00 2.12 O ATOM 2552 NE2 GLN B 73 161.982 9.758 -0.894 1.00 1.89 N ATOM 0 H GLN B 73 160.954 7.531 -5.231 1.00 0.25 H new ATOM 0 HA GLN B 73 160.334 5.639 -3.160 1.00 0.24 H new ATOM 0 HB2 GLN B 73 159.469 8.517 -3.726 1.00 0.26 H new ATOM 0 HB3 GLN B 73 159.023 7.663 -2.262 1.00 0.26 H new ATOM 0 HG2 GLN B 73 161.406 7.310 -1.683 1.00 0.28 H new ATOM 0 HG3 GLN B 73 161.916 8.009 -3.207 1.00 0.28 H new ATOM 0 HE21 GLN B 73 162.683 9.076 -0.604 1.00 1.89 H new ATOM 0 HE22 GLN B 73 161.965 10.684 -0.467 1.00 1.89 H new ATOM 2561 N SER B 74 157.928 6.394 -5.248 1.00 0.26 N ATOM 2562 CA SER B 74 156.559 5.975 -5.646 1.00 0.27 C ATOM 2563 C SER B 74 156.566 4.509 -6.079 1.00 0.26 C ATOM 2564 O SER B 74 155.637 3.775 -5.809 1.00 0.26 O ATOM 2565 CB SER B 74 156.077 6.850 -6.800 1.00 0.30 C ATOM 2566 OG SER B 74 156.628 6.368 -8.018 1.00 1.36 O ATOM 0 H SER B 74 158.380 7.057 -5.877 1.00 0.26 H new ATOM 0 HA SER B 74 155.887 6.089 -4.796 1.00 0.27 H new ATOM 0 HB2 SER B 74 154.988 6.838 -6.850 1.00 0.30 H new ATOM 0 HB3 SER B 74 156.377 7.885 -6.636 1.00 0.30 H new ATOM 0 HG SER B 74 157.603 6.317 -7.938 1.00 1.36 H new ATOM 2572 N ARG B 75 157.602 4.069 -6.743 1.00 0.27 N ATOM 2573 CA ARG B 75 157.658 2.646 -7.182 1.00 0.27 C ATOM 2574 C ARG B 75 157.589 1.733 -5.965 1.00 0.26 C ATOM 2575 O ARG B 75 156.983 0.682 -6.012 1.00 0.26 O ATOM 2576 CB ARG B 75 158.947 2.393 -7.966 1.00 0.29 C ATOM 2577 CG ARG B 75 158.838 3.077 -9.331 1.00 0.32 C ATOM 2578 CD ARG B 75 160.171 2.977 -10.074 1.00 0.61 C ATOM 2579 NE ARG B 75 160.030 3.604 -11.417 1.00 1.35 N ATOM 2580 CZ ARG B 75 161.092 3.893 -12.118 1.00 1.82 C ATOM 2581 NH1 ARG B 75 162.281 3.636 -11.642 1.00 1.89 N ATOM 2582 NH2 ARG B 75 160.967 4.437 -13.297 1.00 2.81 N ATOM 0 H ARG B 75 158.411 4.634 -7.000 1.00 0.27 H new ATOM 0 HA ARG B 75 156.809 2.434 -7.832 1.00 0.27 H new ATOM 0 HB2 ARG B 75 159.805 2.781 -7.417 1.00 0.29 H new ATOM 0 HB3 ARG B 75 159.108 1.322 -8.092 1.00 0.29 H new ATOM 0 HG2 ARG B 75 158.048 2.609 -9.919 1.00 0.32 H new ATOM 0 HG3 ARG B 75 158.562 4.123 -9.202 1.00 0.32 H new ATOM 0 HD2 ARG B 75 160.956 3.477 -9.506 1.00 0.61 H new ATOM 0 HD3 ARG B 75 160.467 1.933 -10.176 1.00 0.61 H new ATOM 0 HE ARG B 75 159.103 3.808 -11.789 1.00 1.35 H new ATOM 0 HH11 ARG B 75 162.380 3.209 -10.721 1.00 1.89 H new ATOM 0 HH12 ARG B 75 163.110 3.862 -12.191 1.00 1.89 H new ATOM 0 HH21 ARG B 75 160.039 4.636 -13.671 1.00 2.81 H new ATOM 0 HH22 ARG B 75 161.797 4.663 -13.845 1.00 2.81 H new ATOM 2596 N ASP B 76 158.212 2.092 -4.872 1.00 0.24 N ATOM 2597 CA ASP B 76 158.180 1.210 -3.675 1.00 0.24 C ATOM 2598 C ASP B 76 156.764 1.135 -3.105 1.00 0.22 C ATOM 2599 O ASP B 76 156.317 0.083 -2.696 1.00 0.22 O ATOM 2600 CB ASP B 76 159.122 1.774 -2.608 1.00 0.23 C ATOM 2601 CG ASP B 76 160.574 1.599 -3.061 1.00 0.25 C ATOM 2602 OD1 ASP B 76 160.807 0.769 -3.924 1.00 0.40 O ATOM 2603 OD2 ASP B 76 161.426 2.297 -2.537 1.00 0.39 O ATOM 0 H ASP B 76 158.740 2.957 -4.760 1.00 0.24 H new ATOM 0 HA ASP B 76 158.498 0.209 -3.966 1.00 0.24 H new ATOM 0 HB2 ASP B 76 158.907 2.829 -2.440 1.00 0.23 H new ATOM 0 HB3 ASP B 76 158.962 1.261 -1.659 1.00 0.23 H new ATOM 2608 N CYS B 77 156.043 2.221 -3.075 1.00 0.22 N ATOM 2609 CA CYS B 77 154.658 2.163 -2.534 1.00 0.21 C ATOM 2610 C CYS B 77 153.745 1.388 -3.487 1.00 0.22 C ATOM 2611 O CYS B 77 152.922 0.605 -3.064 1.00 0.21 O ATOM 2612 CB CYS B 77 154.118 3.586 -2.364 1.00 0.22 C ATOM 2613 SG CYS B 77 154.907 4.370 -0.934 1.00 0.23 S ATOM 0 H CYS B 77 156.350 3.138 -3.399 1.00 0.22 H new ATOM 0 HA CYS B 77 154.678 1.654 -1.570 1.00 0.21 H new ATOM 0 HB2 CYS B 77 154.312 4.169 -3.264 1.00 0.22 H new ATOM 0 HB3 CYS B 77 153.037 3.561 -2.227 1.00 0.22 H new ATOM 0 HG CYS B 77 155.815 3.576 -0.450 1.00 0.23 H new ATOM 2619 N PHE B 78 153.853 1.610 -4.769 1.00 0.23 N ATOM 2620 CA PHE B 78 152.949 0.890 -5.706 1.00 0.25 C ATOM 2621 C PHE B 78 153.148 -0.619 -5.571 1.00 0.24 C ATOM 2622 O PHE B 78 152.230 -1.346 -5.247 1.00 0.23 O ATOM 2623 CB PHE B 78 153.257 1.337 -7.135 1.00 0.28 C ATOM 2624 CG PHE B 78 152.329 0.645 -8.104 1.00 0.32 C ATOM 2625 CD1 PHE B 78 151.053 1.169 -8.348 1.00 0.36 C ATOM 2626 CD2 PHE B 78 152.749 -0.511 -8.769 1.00 0.38 C ATOM 2627 CE1 PHE B 78 150.198 0.532 -9.255 1.00 0.40 C ATOM 2628 CE2 PHE B 78 151.894 -1.145 -9.675 1.00 0.43 C ATOM 2629 CZ PHE B 78 150.618 -0.625 -9.919 1.00 0.42 C ATOM 0 H PHE B 78 154.519 2.250 -5.202 1.00 0.23 H new ATOM 0 HA PHE B 78 151.912 1.123 -5.467 1.00 0.25 H new ATOM 0 HB2 PHE B 78 153.144 2.418 -7.219 1.00 0.28 H new ATOM 0 HB3 PHE B 78 154.293 1.105 -7.382 1.00 0.28 H new ATOM 0 HD1 PHE B 78 150.729 2.064 -7.837 1.00 0.36 H new ATOM 0 HD2 PHE B 78 153.734 -0.914 -8.583 1.00 0.38 H new ATOM 0 HE1 PHE B 78 149.213 0.934 -9.442 1.00 0.40 H new ATOM 0 HE2 PHE B 78 152.219 -2.038 -10.188 1.00 0.43 H new ATOM 0 HZ PHE B 78 149.959 -1.116 -10.619 1.00 0.42 H new ATOM 2639 N GLY B 79 154.335 -1.099 -5.820 1.00 0.25 N ATOM 2640 CA GLY B 79 154.590 -2.563 -5.712 1.00 0.25 C ATOM 2641 C GLY B 79 154.376 -3.036 -4.273 1.00 0.23 C ATOM 2642 O GLY B 79 153.921 -4.133 -4.035 1.00 0.24 O ATOM 0 H GLY B 79 155.142 -0.539 -6.094 1.00 0.25 H new ATOM 0 HA2 GLY B 79 153.924 -3.105 -6.383 1.00 0.25 H new ATOM 0 HA3 GLY B 79 155.610 -2.785 -6.027 1.00 0.25 H new ATOM 2646 N CYS B 80 154.694 -2.222 -3.307 1.00 0.22 N ATOM 2647 CA CYS B 80 154.493 -2.654 -1.896 1.00 0.21 C ATOM 2648 C CYS B 80 153.000 -2.711 -1.579 1.00 0.21 C ATOM 2649 O CYS B 80 152.508 -3.692 -1.058 1.00 0.22 O ATOM 2650 CB CYS B 80 155.186 -1.679 -0.947 1.00 0.22 C ATOM 2651 SG CYS B 80 154.907 -2.204 0.762 1.00 0.24 S ATOM 0 H CYS B 80 155.080 -1.286 -3.430 1.00 0.22 H new ATOM 0 HA CYS B 80 154.926 -3.646 -1.764 1.00 0.21 H new ATOM 0 HB2 CYS B 80 156.255 -1.645 -1.159 1.00 0.22 H new ATOM 0 HB3 CYS B 80 154.799 -0.671 -1.097 1.00 0.22 H new ATOM 0 HG CYS B 80 154.484 -1.194 1.463 1.00 0.24 H new ATOM 2657 N LEU B 81 152.263 -1.689 -1.915 1.00 0.21 N ATOM 2658 CA LEU B 81 150.802 -1.740 -1.645 1.00 0.21 C ATOM 2659 C LEU B 81 150.170 -2.764 -2.592 1.00 0.21 C ATOM 2660 O LEU B 81 149.299 -3.519 -2.209 1.00 0.22 O ATOM 2661 CB LEU B 81 150.177 -0.362 -1.885 1.00 0.22 C ATOM 2662 CG LEU B 81 150.768 0.666 -0.908 1.00 0.24 C ATOM 2663 CD1 LEU B 81 150.209 2.052 -1.248 1.00 0.29 C ATOM 2664 CD2 LEU B 81 150.397 0.302 0.542 1.00 0.28 C ATOM 0 H LEU B 81 152.603 -0.835 -2.357 1.00 0.21 H new ATOM 0 HA LEU B 81 150.626 -2.027 -0.608 1.00 0.21 H new ATOM 0 HB2 LEU B 81 150.360 -0.046 -2.912 1.00 0.22 H new ATOM 0 HB3 LEU B 81 149.096 -0.417 -1.756 1.00 0.22 H new ATOM 0 HG LEU B 81 151.854 0.667 -1.000 1.00 0.24 H new ATOM 0 HD11 LEU B 81 150.622 2.790 -0.560 1.00 0.29 H new ATOM 0 HD12 LEU B 81 150.484 2.315 -2.270 1.00 0.29 H new ATOM 0 HD13 LEU B 81 149.123 2.039 -1.156 1.00 0.29 H new ATOM 0 HD21 LEU B 81 150.823 1.039 1.223 1.00 0.28 H new ATOM 0 HD22 LEU B 81 149.312 0.293 0.649 1.00 0.28 H new ATOM 0 HD23 LEU B 81 150.793 -0.685 0.782 1.00 0.28 H new ATOM 2676 N ARG B 82 150.606 -2.800 -3.826 1.00 0.22 N ATOM 2677 CA ARG B 82 150.026 -3.781 -4.788 1.00 0.24 C ATOM 2678 C ARG B 82 150.288 -5.199 -4.290 1.00 0.25 C ATOM 2679 O ARG B 82 149.444 -6.068 -4.388 1.00 0.26 O ATOM 2680 CB ARG B 82 150.663 -3.603 -6.166 1.00 0.28 C ATOM 2681 CG ARG B 82 149.909 -4.466 -7.184 1.00 0.32 C ATOM 2682 CD ARG B 82 150.524 -4.301 -8.585 1.00 0.85 C ATOM 2683 NE ARG B 82 149.446 -4.422 -9.617 1.00 1.42 N ATOM 2684 CZ ARG B 82 148.601 -5.417 -9.594 1.00 1.96 C ATOM 2685 NH1 ARG B 82 148.805 -6.437 -8.804 1.00 2.26 N ATOM 2686 NH2 ARG B 82 147.579 -5.419 -10.405 1.00 2.74 N ATOM 0 H ARG B 82 151.334 -2.195 -4.206 1.00 0.22 H new ATOM 0 HA ARG B 82 148.952 -3.610 -4.865 1.00 0.24 H new ATOM 0 HB2 ARG B 82 150.629 -2.555 -6.463 1.00 0.28 H new ATOM 0 HB3 ARG B 82 151.714 -3.891 -6.134 1.00 0.28 H new ATOM 0 HG2 ARG B 82 149.949 -5.513 -6.883 1.00 0.32 H new ATOM 0 HG3 ARG B 82 148.857 -4.180 -7.205 1.00 0.32 H new ATOM 0 HD2 ARG B 82 151.015 -3.331 -8.667 1.00 0.85 H new ATOM 0 HD3 ARG B 82 151.289 -5.060 -8.751 1.00 0.85 H new ATOM 0 HE ARG B 82 149.371 -3.716 -10.349 1.00 1.42 H new ATOM 0 HH11 ARG B 82 149.628 -6.459 -8.201 1.00 2.26 H new ATOM 0 HH12 ARG B 82 148.142 -7.212 -8.790 1.00 2.26 H new ATOM 0 HH21 ARG B 82 147.442 -4.645 -11.055 1.00 2.74 H new ATOM 0 HH22 ARG B 82 146.917 -6.195 -10.389 1.00 2.74 H new ATOM 2700 N GLU B 83 151.455 -5.442 -3.759 1.00 0.25 N ATOM 2701 CA GLU B 83 151.777 -6.803 -3.261 1.00 0.27 C ATOM 2702 C GLU B 83 150.940 -7.115 -2.021 1.00 0.27 C ATOM 2703 O GLU B 83 150.482 -8.226 -1.849 1.00 0.28 O ATOM 2704 CB GLU B 83 153.268 -6.892 -2.927 1.00 0.29 C ATOM 2705 CG GLU B 83 154.079 -6.995 -4.226 1.00 0.33 C ATOM 2706 CD GLU B 83 153.895 -8.384 -4.838 1.00 1.20 C ATOM 2707 OE1 GLU B 83 153.711 -9.324 -4.082 1.00 1.91 O ATOM 2708 OE2 GLU B 83 153.939 -8.484 -6.052 1.00 1.57 O ATOM 0 H GLU B 83 152.199 -4.753 -3.650 1.00 0.25 H new ATOM 0 HA GLU B 83 151.543 -7.533 -4.036 1.00 0.27 H new ATOM 0 HB2 GLU B 83 153.578 -6.013 -2.361 1.00 0.29 H new ATOM 0 HB3 GLU B 83 153.459 -7.761 -2.297 1.00 0.29 H new ATOM 0 HG2 GLU B 83 153.754 -6.230 -4.931 1.00 0.33 H new ATOM 0 HG3 GLU B 83 155.134 -6.813 -4.023 1.00 0.33 H new ATOM 2715 N TRP B 84 150.701 -6.153 -1.162 1.00 0.25 N ATOM 2716 CA TRP B 84 149.860 -6.440 0.033 1.00 0.25 C ATOM 2717 C TRP B 84 148.495 -6.894 -0.481 1.00 0.26 C ATOM 2718 O TRP B 84 147.933 -7.872 -0.029 1.00 0.28 O ATOM 2719 CB TRP B 84 149.689 -5.167 0.876 1.00 0.25 C ATOM 2720 CG TRP B 84 149.014 -5.514 2.168 1.00 0.27 C ATOM 2721 CD1 TRP B 84 149.657 -5.879 3.301 1.00 0.30 C ATOM 2722 CD2 TRP B 84 147.591 -5.528 2.486 1.00 0.29 C ATOM 2723 NE1 TRP B 84 148.722 -6.128 4.287 1.00 0.32 N ATOM 2724 CE2 TRP B 84 147.437 -5.925 3.835 1.00 0.32 C ATOM 2725 CE3 TRP B 84 146.431 -5.243 1.744 1.00 0.31 C ATOM 2726 CZ2 TRP B 84 146.183 -6.036 4.429 1.00 0.35 C ATOM 2727 CZ3 TRP B 84 145.163 -5.352 2.339 1.00 0.35 C ATOM 2728 CH2 TRP B 84 145.040 -5.749 3.680 1.00 0.36 C ATOM 0 H TRP B 84 151.048 -5.197 -1.238 1.00 0.25 H new ATOM 0 HA TRP B 84 150.325 -7.204 0.656 1.00 0.25 H new ATOM 0 HB2 TRP B 84 150.661 -4.713 1.071 1.00 0.25 H new ATOM 0 HB3 TRP B 84 149.098 -4.432 0.330 1.00 0.25 H new ATOM 0 HD1 TRP B 84 150.728 -5.962 3.416 1.00 0.30 H new ATOM 0 HE1 TRP B 84 148.955 -6.426 5.234 1.00 0.32 H new ATOM 0 HE3 TRP B 84 146.515 -4.939 0.711 1.00 0.31 H new ATOM 0 HZ2 TRP B 84 146.095 -6.342 5.461 1.00 0.35 H new ATOM 0 HZ3 TRP B 84 144.278 -5.129 1.762 1.00 0.35 H new ATOM 0 HH2 TRP B 84 144.063 -5.832 4.132 1.00 0.36 H new ATOM 2739 N CYS B 85 147.970 -6.185 -1.440 1.00 0.27 N ATOM 2740 CA CYS B 85 146.651 -6.560 -2.012 1.00 0.30 C ATOM 2741 C CYS B 85 146.744 -7.955 -2.644 1.00 0.33 C ATOM 2742 O CYS B 85 145.857 -8.771 -2.507 1.00 0.36 O ATOM 2743 CB CYS B 85 146.268 -5.526 -3.076 1.00 0.33 C ATOM 2744 SG CYS B 85 145.640 -4.034 -2.270 1.00 0.33 S ATOM 0 H CYS B 85 148.401 -5.358 -1.853 1.00 0.27 H new ATOM 0 HA CYS B 85 145.893 -6.580 -1.229 1.00 0.30 H new ATOM 0 HB2 CYS B 85 147.135 -5.283 -3.690 1.00 0.33 H new ATOM 0 HB3 CYS B 85 145.510 -5.938 -3.743 1.00 0.33 H new ATOM 0 HG CYS B 85 145.317 -3.156 -3.173 1.00 0.33 H new ATOM 2750 N ASP B 86 147.819 -8.234 -3.329 1.00 0.34 N ATOM 2751 CA ASP B 86 147.976 -9.576 -3.964 1.00 0.40 C ATOM 2752 C ASP B 86 147.947 -10.668 -2.891 1.00 0.41 C ATOM 2753 O ASP B 86 147.427 -11.745 -3.105 1.00 0.43 O ATOM 2754 CB ASP B 86 149.302 -9.643 -4.723 1.00 0.42 C ATOM 2755 CG ASP B 86 149.228 -8.744 -5.959 1.00 0.43 C ATOM 2756 OD1 ASP B 86 148.347 -8.962 -6.774 1.00 0.55 O ATOM 2757 OD2 ASP B 86 150.052 -7.851 -6.067 1.00 0.52 O ATOM 0 H ASP B 86 148.597 -7.591 -3.477 1.00 0.34 H new ATOM 0 HA ASP B 86 147.153 -9.733 -4.661 1.00 0.40 H new ATOM 0 HB2 ASP B 86 150.120 -9.324 -4.077 1.00 0.42 H new ATOM 0 HB3 ASP B 86 149.512 -10.671 -5.020 1.00 0.42 H new ATOM 2762 N ALA B 87 148.520 -10.410 -1.745 1.00 0.40 N ATOM 2763 CA ALA B 87 148.542 -11.446 -0.672 1.00 0.43 C ATOM 2764 C ALA B 87 147.260 -11.362 0.156 1.00 0.43 C ATOM 2765 O ALA B 87 146.738 -12.364 0.604 1.00 0.47 O ATOM 2766 CB ALA B 87 149.753 -11.207 0.238 1.00 0.40 C ATOM 0 H ALA B 87 148.973 -9.528 -1.506 1.00 0.40 H new ATOM 0 HA ALA B 87 148.612 -12.434 -1.126 1.00 0.43 H new ATOM 0 HB1 ALA B 87 149.772 -11.962 1.024 1.00 0.40 H new ATOM 0 HB2 ALA B 87 150.668 -11.271 -0.350 1.00 0.40 H new ATOM 0 HB3 ALA B 87 149.680 -10.217 0.688 1.00 0.40 H new ATOM 2772 N PHE B 88 146.755 -10.173 0.380 1.00 0.39 N ATOM 2773 CA PHE B 88 145.513 -10.023 1.200 1.00 0.44 C ATOM 2774 C PHE B 88 144.308 -9.723 0.309 1.00 0.54 C ATOM 2775 O PHE B 88 143.577 -10.611 -0.087 1.00 1.24 O ATOM 2776 CB PHE B 88 145.699 -8.863 2.180 1.00 0.41 C ATOM 2777 CG PHE B 88 146.686 -9.253 3.252 1.00 0.38 C ATOM 2778 CD1 PHE B 88 146.229 -9.861 4.425 1.00 0.43 C ATOM 2779 CD2 PHE B 88 148.052 -9.004 3.079 1.00 0.35 C ATOM 2780 CE1 PHE B 88 147.137 -10.221 5.428 1.00 0.46 C ATOM 2781 CE2 PHE B 88 148.961 -9.361 4.082 1.00 0.39 C ATOM 2782 CZ PHE B 88 148.502 -9.970 5.256 1.00 0.44 C ATOM 0 H PHE B 88 147.150 -9.300 0.030 1.00 0.39 H new ATOM 0 HA PHE B 88 145.335 -10.955 1.736 1.00 0.44 H new ATOM 0 HB2 PHE B 88 146.055 -7.980 1.649 1.00 0.41 H new ATOM 0 HB3 PHE B 88 144.743 -8.600 2.632 1.00 0.41 H new ATOM 0 HD1 PHE B 88 145.175 -10.053 4.558 1.00 0.43 H new ATOM 0 HD2 PHE B 88 148.405 -8.536 2.172 1.00 0.35 H new ATOM 0 HE1 PHE B 88 146.784 -10.692 6.333 1.00 0.46 H new ATOM 0 HE2 PHE B 88 150.015 -9.167 3.950 1.00 0.39 H new ATOM 0 HZ PHE B 88 149.203 -10.246 6.030 1.00 0.44 H new ATOM 2792 N LEU B 89 144.086 -8.473 0.002 1.00 0.39 N ATOM 2793 CA LEU B 89 142.923 -8.093 -0.848 1.00 0.36 C ATOM 2794 C LEU B 89 143.297 -8.275 -2.318 1.00 0.87 C ATOM 2795 O LEU B 89 143.923 -7.387 -2.864 1.00 1.43 O ATOM 2796 CB LEU B 89 142.576 -6.621 -0.567 1.00 0.74 C ATOM 2797 CG LEU B 89 141.599 -6.075 -1.615 1.00 0.47 C ATOM 2798 CD1 LEU B 89 140.418 -7.031 -1.785 1.00 1.00 C ATOM 2799 CD2 LEU B 89 141.076 -4.710 -1.149 1.00 1.27 C ATOM 2800 OXT LEU B 89 142.957 -9.308 -2.871 1.00 1.67 O ATOM 0 H LEU B 89 144.667 -7.692 0.307 1.00 0.39 H new ATOM 0 HA LEU B 89 142.061 -8.721 -0.623 1.00 0.36 H new ATOM 0 HB2 LEU B 89 142.136 -6.531 0.426 1.00 0.74 H new ATOM 0 HB3 LEU B 89 143.487 -6.023 -0.568 1.00 0.74 H new ATOM 0 HG LEU B 89 142.117 -5.975 -2.569 1.00 0.47 H new ATOM 0 HD11 LEU B 89 139.731 -6.632 -2.532 1.00 1.00 H new ATOM 0 HD12 LEU B 89 140.782 -8.005 -2.111 1.00 1.00 H new ATOM 0 HD13 LEU B 89 139.897 -7.138 -0.834 1.00 1.00 H new ATOM 0 HD21 LEU B 89 140.380 -4.315 -1.889 1.00 1.27 H new ATOM 0 HD22 LEU B 89 140.564 -4.824 -0.194 1.00 1.27 H new ATOM 0 HD23 LEU B 89 141.912 -4.020 -1.033 1.00 1.27 H new