USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 837 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 157:sc= -0.0702 (180deg=-0.623) USER MOD Single : A 4 GLN : amide:sc= -0.978 K(o=-0.98,f=-1.5) USER MOD Single : A 7 SER OG : rot 180:sc= 0.0339 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.134 X(o=-0.13,f=-0.19) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 40:sc= -0.646 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -127:sc= -0.787 (180deg=-2.14!) USER MOD Single : A 43 HIS : no HD1:sc= -0.288 X(o=-0.29,f=-0.0063) USER MOD Single : A 44 SER OG : rot 70:sc= 0.846 USER MOD Single : A 46 SER OG : rot 92:sc= 0.00569 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.307 X(o=-0.31,f=-0.31) USER MOD Single : A 63 GLN : amide:sc=-0.00665 X(o=-0.0067,f=-0.38) USER MOD Single : A 67 SER OG : rot -44:sc= 0.0336 USER MOD Single : A 72 LYS NZ :NH3+ -168:sc= -0.211 (180deg=-0.376) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.744 USER MOD Single : A 76 THR OG1 : rot 97:sc= 0.517 USER MOD Single : A 78 GLN : amide:sc= -1.82! C(o=-1.8!,f=-1.9!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -3.47! K(o=-3.5!,f=-0.54) USER MOD Single : A 85 LYS NZ :NH3+ -153:sc= -0.0823 (180deg=-1.4) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -3.73! K(o=-3.7!,f=-2.4) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ -156:sc= -0.0505 (180deg=-0.478) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= -0.56 K(o=-0.56,f=-2.3!) USER MOD Single : B 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 66 SER OG : rot 180:sc= 0 USER MOD Single : B 68 ASN : amide:sc= -1.81! K(o=-1.8!,f=-0.02) USER MOD ----------------------------------------------------------------- ATOM 36 N LYS A 3 -2.511 -2.292 8.732 1.00 0.20 N ATOM 37 CA LYS A 3 -1.534 -3.346 9.160 1.00 0.18 C ATOM 38 C LYS A 3 -0.147 -3.003 8.622 1.00 0.15 C ATOM 39 O LYS A 3 0.027 -2.786 7.440 1.00 0.16 O ATOM 40 CB LYS A 3 -1.985 -4.694 8.596 1.00 0.19 C ATOM 41 CG LYS A 3 -1.006 -5.798 9.018 1.00 0.20 C ATOM 42 CD LYS A 3 -1.680 -7.167 8.896 1.00 0.81 C ATOM 43 CE LYS A 3 -0.727 -8.248 9.413 1.00 1.03 C ATOM 44 NZ LYS A 3 -0.513 -8.064 10.877 1.00 1.67 N ATOM 0 HA LYS A 3 -1.493 -3.396 10.248 1.00 0.18 H new ATOM 0 HB2 LYS A 3 -2.987 -4.930 8.954 1.00 0.19 H new ATOM 0 HB3 LYS A 3 -2.039 -4.642 7.509 1.00 0.19 H new ATOM 0 HG2 LYS A 3 -0.115 -5.765 8.391 1.00 0.20 H new ATOM 0 HG3 LYS A 3 -0.680 -5.634 10.045 1.00 0.20 H new ATOM 0 HD2 LYS A 3 -2.608 -7.180 9.468 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -1.943 -7.364 7.857 1.00 0.81 H new ATOM 0 HE2 LYS A 3 -1.141 -9.237 9.217 1.00 1.03 H new ATOM 0 HE3 LYS A 3 0.225 -8.191 8.886 1.00 1.03 H new ATOM 0 HZ1 LYS A 3 -0.212 -8.965 11.300 1.00 1.67 H new ATOM 0 HZ2 LYS A 3 0.223 -7.346 11.033 1.00 1.67 H new ATOM 0 HZ3 LYS A 3 -1.400 -7.753 11.321 1.00 1.67 H new ATOM 58 N GLN A 4 0.847 -2.964 9.473 1.00 0.15 N ATOM 59 CA GLN A 4 2.225 -2.642 8.992 1.00 0.14 C ATOM 60 C GLN A 4 2.984 -3.941 8.728 1.00 0.12 C ATOM 61 O GLN A 4 3.110 -4.789 9.591 1.00 0.13 O ATOM 62 CB GLN A 4 2.967 -1.818 10.051 1.00 0.16 C ATOM 63 CG GLN A 4 4.365 -1.457 9.534 1.00 0.17 C ATOM 64 CD GLN A 4 5.089 -0.596 10.571 1.00 0.22 C ATOM 65 OE1 GLN A 4 4.980 -0.835 11.755 1.00 0.29 O ATOM 66 NE2 GLN A 4 5.827 0.405 10.172 1.00 0.31 N ATOM 0 H GLN A 4 0.765 -3.140 10.474 1.00 0.15 H new ATOM 0 HA GLN A 4 2.160 -2.062 8.071 1.00 0.14 H new ATOM 0 HB2 GLN A 4 2.407 -0.911 10.279 1.00 0.16 H new ATOM 0 HB3 GLN A 4 3.046 -2.385 10.978 1.00 0.16 H new ATOM 0 HG2 GLN A 4 4.936 -2.364 9.337 1.00 0.17 H new ATOM 0 HG3 GLN A 4 4.287 -0.918 8.590 1.00 0.17 H new ATOM 0 HE21 GLN A 4 5.919 0.606 9.176 1.00 0.31 H new ATOM 0 HE22 GLN A 4 6.312 0.986 10.856 1.00 0.31 H new ATOM 75 N ILE A 5 3.496 -4.096 7.535 1.00 0.10 N ATOM 76 CA ILE A 5 4.264 -5.325 7.186 1.00 0.10 C ATOM 77 C ILE A 5 5.750 -4.992 7.241 1.00 0.10 C ATOM 78 O ILE A 5 6.233 -4.181 6.475 1.00 0.11 O ATOM 79 CB ILE A 5 3.921 -5.735 5.753 1.00 0.11 C ATOM 80 CG1 ILE A 5 2.401 -5.781 5.559 1.00 0.13 C ATOM 81 CG2 ILE A 5 4.514 -7.110 5.470 1.00 0.15 C ATOM 82 CD1 ILE A 5 1.756 -6.752 6.552 1.00 0.19 C ATOM 0 H ILE A 5 3.413 -3.415 6.780 1.00 0.10 H new ATOM 0 HA ILE A 5 4.019 -6.130 7.879 1.00 0.10 H new ATOM 0 HB ILE A 5 4.339 -5.002 5.063 1.00 0.11 H new ATOM 0 HG12 ILE A 5 1.982 -4.784 5.694 1.00 0.13 H new ATOM 0 HG13 ILE A 5 2.169 -6.089 4.539 1.00 0.13 H new ATOM 0 HG21 ILE A 5 4.272 -7.407 4.450 1.00 0.15 H new ATOM 0 HG22 ILE A 5 5.597 -7.071 5.590 1.00 0.15 H new ATOM 0 HG23 ILE A 5 4.098 -7.836 6.168 1.00 0.15 H new ATOM 0 HD11 ILE A 5 0.677 -6.769 6.396 1.00 0.19 H new ATOM 0 HD12 ILE A 5 2.160 -7.752 6.398 1.00 0.19 H new ATOM 0 HD13 ILE A 5 1.971 -6.427 7.570 1.00 0.19 H new ATOM 94 N GLU A 6 6.489 -5.605 8.125 1.00 0.11 N ATOM 95 CA GLU A 6 7.950 -5.309 8.205 1.00 0.13 C ATOM 96 C GLU A 6 8.735 -6.383 7.456 1.00 0.12 C ATOM 97 O GLU A 6 9.940 -6.302 7.331 1.00 0.13 O ATOM 98 CB GLU A 6 8.388 -5.298 9.670 1.00 0.15 C ATOM 99 CG GLU A 6 7.608 -4.230 10.434 1.00 0.17 C ATOM 100 CD GLU A 6 8.121 -2.843 10.042 1.00 1.45 C ATOM 101 OE1 GLU A 6 9.046 -2.776 9.250 1.00 2.25 O ATOM 102 OE2 GLU A 6 7.583 -1.871 10.543 1.00 2.25 O ATOM 0 H GLU A 6 6.147 -6.296 8.793 1.00 0.11 H new ATOM 0 HA GLU A 6 8.144 -4.335 7.755 1.00 0.13 H new ATOM 0 HB2 GLU A 6 8.217 -6.277 10.118 1.00 0.15 H new ATOM 0 HB3 GLU A 6 9.458 -5.099 9.738 1.00 0.15 H new ATOM 0 HG2 GLU A 6 6.544 -4.312 10.211 1.00 0.17 H new ATOM 0 HG3 GLU A 6 7.721 -4.381 11.508 1.00 0.17 H new ATOM 109 N SER A 7 8.074 -7.388 6.945 1.00 0.12 N ATOM 110 CA SER A 7 8.823 -8.453 6.207 1.00 0.13 C ATOM 111 C SER A 7 7.940 -9.112 5.157 1.00 0.12 C ATOM 112 O SER A 7 6.729 -9.076 5.226 1.00 0.12 O ATOM 113 CB SER A 7 9.286 -9.529 7.189 1.00 0.15 C ATOM 114 OG SER A 7 8.154 -10.098 7.832 1.00 0.15 O ATOM 0 H SER A 7 7.064 -7.519 7.004 1.00 0.12 H new ATOM 0 HA SER A 7 9.677 -7.986 5.717 1.00 0.13 H new ATOM 0 HB2 SER A 7 9.846 -10.302 6.662 1.00 0.15 H new ATOM 0 HB3 SER A 7 9.959 -9.096 7.929 1.00 0.15 H new ATOM 0 HG SER A 7 8.448 -10.790 8.461 1.00 0.15 H new ATOM 120 N LYS A 8 8.553 -9.745 4.199 1.00 0.14 N ATOM 121 CA LYS A 8 7.768 -10.442 3.154 1.00 0.15 C ATOM 122 C LYS A 8 6.988 -11.560 3.826 1.00 0.15 C ATOM 123 O LYS A 8 5.885 -11.887 3.442 1.00 0.16 O ATOM 124 CB LYS A 8 8.704 -11.039 2.108 1.00 0.18 C ATOM 125 CG LYS A 8 7.882 -11.535 0.913 1.00 0.21 C ATOM 126 CD LYS A 8 8.696 -12.551 0.111 1.00 0.43 C ATOM 127 CE LYS A 8 9.926 -11.865 -0.480 1.00 0.80 C ATOM 128 NZ LYS A 8 10.571 -12.773 -1.467 1.00 1.65 N ATOM 0 H LYS A 8 9.566 -9.808 4.097 1.00 0.14 H new ATOM 0 HA LYS A 8 7.095 -9.741 2.661 1.00 0.15 H new ATOM 0 HB2 LYS A 8 9.426 -10.291 1.781 1.00 0.18 H new ATOM 0 HB3 LYS A 8 9.272 -11.863 2.540 1.00 0.18 H new ATOM 0 HG2 LYS A 8 6.955 -11.991 1.261 1.00 0.21 H new ATOM 0 HG3 LYS A 8 7.604 -10.695 0.277 1.00 0.21 H new ATOM 0 HD2 LYS A 8 9.001 -13.377 0.753 1.00 0.43 H new ATOM 0 HD3 LYS A 8 8.085 -12.975 -0.686 1.00 0.43 H new ATOM 0 HE2 LYS A 8 9.639 -10.931 -0.962 1.00 0.80 H new ATOM 0 HE3 LYS A 8 10.630 -11.611 0.312 1.00 0.80 H new ATOM 0 HZ1 LYS A 8 11.409 -12.308 -1.871 1.00 1.65 H new ATOM 0 HZ2 LYS A 8 10.858 -13.653 -0.993 1.00 1.65 H new ATOM 0 HZ3 LYS A 8 9.897 -12.994 -2.228 1.00 1.65 H new ATOM 142 N THR A 9 7.563 -12.156 4.832 1.00 0.15 N ATOM 143 CA THR A 9 6.858 -13.263 5.521 1.00 0.17 C ATOM 144 C THR A 9 5.510 -12.749 6.006 1.00 0.16 C ATOM 145 O THR A 9 4.486 -13.375 5.817 1.00 0.17 O ATOM 146 CB THR A 9 7.687 -13.732 6.718 1.00 0.19 C ATOM 147 OG1 THR A 9 8.973 -14.132 6.271 1.00 0.22 O ATOM 148 CG2 THR A 9 6.991 -14.909 7.408 1.00 0.23 C ATOM 0 H THR A 9 8.485 -11.924 5.203 1.00 0.15 H new ATOM 0 HA THR A 9 6.716 -14.100 4.837 1.00 0.17 H new ATOM 0 HB THR A 9 7.786 -12.913 7.430 1.00 0.19 H new ATOM 0 HG1 THR A 9 9.507 -14.431 7.036 1.00 0.22 H new ATOM 0 HG21 THR A 9 7.588 -15.237 8.259 1.00 0.23 H new ATOM 0 HG22 THR A 9 6.006 -14.597 7.755 1.00 0.23 H new ATOM 0 HG23 THR A 9 6.883 -15.732 6.702 1.00 0.23 H new ATOM 156 N ALA A 10 5.499 -11.600 6.611 1.00 0.15 N ATOM 157 CA ALA A 10 4.213 -11.032 7.083 1.00 0.15 C ATOM 158 C ALA A 10 3.384 -10.623 5.867 1.00 0.14 C ATOM 159 O ALA A 10 2.172 -10.667 5.886 1.00 0.15 O ATOM 160 CB ALA A 10 4.478 -9.826 7.993 1.00 0.17 C ATOM 0 H ALA A 10 6.324 -11.030 6.799 1.00 0.15 H new ATOM 0 HA ALA A 10 3.662 -11.775 7.660 1.00 0.15 H new ATOM 0 HB1 ALA A 10 3.529 -9.414 8.336 1.00 0.17 H new ATOM 0 HB2 ALA A 10 5.069 -10.142 8.853 1.00 0.17 H new ATOM 0 HB3 ALA A 10 5.025 -9.064 7.437 1.00 0.17 H new ATOM 166 N PHE A 11 4.029 -10.229 4.800 1.00 0.14 N ATOM 167 CA PHE A 11 3.266 -9.817 3.589 1.00 0.13 C ATOM 168 C PHE A 11 2.425 -10.989 3.114 1.00 0.14 C ATOM 169 O PHE A 11 1.274 -10.841 2.753 1.00 0.14 O ATOM 170 CB PHE A 11 4.252 -9.445 2.472 1.00 0.14 C ATOM 171 CG PHE A 11 3.502 -8.799 1.330 1.00 0.14 C ATOM 172 CD1 PHE A 11 2.887 -7.561 1.530 1.00 0.14 C ATOM 173 CD2 PHE A 11 3.429 -9.424 0.076 1.00 0.14 C ATOM 174 CE1 PHE A 11 2.193 -6.948 0.486 1.00 0.14 C ATOM 175 CE2 PHE A 11 2.736 -8.806 -0.972 1.00 0.14 C ATOM 176 CZ PHE A 11 2.117 -7.568 -0.764 1.00 0.14 C ATOM 0 H PHE A 11 5.044 -10.175 4.716 1.00 0.14 H new ATOM 0 HA PHE A 11 2.631 -8.964 3.829 1.00 0.13 H new ATOM 0 HB2 PHE A 11 5.011 -8.762 2.855 1.00 0.14 H new ATOM 0 HB3 PHE A 11 4.773 -10.336 2.121 1.00 0.14 H new ATOM 0 HD1 PHE A 11 2.949 -7.078 2.494 1.00 0.14 H new ATOM 0 HD2 PHE A 11 3.906 -10.380 -0.081 1.00 0.14 H new ATOM 0 HE1 PHE A 11 1.714 -5.993 0.644 1.00 0.14 H new ATOM 0 HE2 PHE A 11 2.679 -9.284 -1.939 1.00 0.14 H new ATOM 0 HZ PHE A 11 1.580 -7.091 -1.571 1.00 0.14 H new ATOM 186 N GLN A 12 2.997 -12.151 3.105 1.00 0.14 N ATOM 187 CA GLN A 12 2.244 -13.341 2.643 1.00 0.16 C ATOM 188 C GLN A 12 1.104 -13.627 3.637 1.00 0.15 C ATOM 189 O GLN A 12 -0.017 -13.910 3.259 1.00 0.16 O ATOM 190 CB GLN A 12 3.207 -14.533 2.600 1.00 0.18 C ATOM 191 CG GLN A 12 4.327 -14.269 1.580 1.00 0.17 C ATOM 192 CD GLN A 12 3.753 -14.157 0.161 1.00 0.40 C ATOM 193 OE1 GLN A 12 3.778 -13.098 -0.433 1.00 1.12 O ATOM 194 NE2 GLN A 12 3.240 -15.211 -0.415 1.00 1.31 N ATOM 0 H GLN A 12 3.957 -12.331 3.398 1.00 0.14 H new ATOM 0 HA GLN A 12 1.822 -13.170 1.653 1.00 0.16 H new ATOM 0 HB2 GLN A 12 3.636 -14.700 3.588 1.00 0.18 H new ATOM 0 HB3 GLN A 12 2.665 -15.439 2.330 1.00 0.18 H new ATOM 0 HG2 GLN A 12 4.852 -13.350 1.839 1.00 0.17 H new ATOM 0 HG3 GLN A 12 5.059 -15.076 1.619 1.00 0.17 H new ATOM 0 HE21 GLN A 12 3.217 -16.102 0.080 1.00 1.31 H new ATOM 0 HE22 GLN A 12 2.862 -15.143 -1.360 1.00 1.31 H new ATOM 203 N GLU A 13 1.397 -13.540 4.911 1.00 0.16 N ATOM 204 CA GLU A 13 0.360 -13.789 5.962 1.00 0.17 C ATOM 205 C GLU A 13 -0.772 -12.764 5.856 1.00 0.15 C ATOM 206 O GLU A 13 -1.930 -13.092 6.014 1.00 0.16 O ATOM 207 CB GLU A 13 1.015 -13.680 7.343 1.00 0.19 C ATOM 208 CG GLU A 13 1.945 -14.877 7.594 1.00 0.28 C ATOM 209 CD GLU A 13 1.146 -16.187 7.636 1.00 0.95 C ATOM 210 OE1 GLU A 13 -0.053 -16.126 7.856 1.00 1.67 O ATOM 211 OE2 GLU A 13 1.751 -17.232 7.456 1.00 1.77 O ATOM 0 H GLU A 13 2.321 -13.304 5.272 1.00 0.16 H new ATOM 0 HA GLU A 13 -0.058 -14.785 5.819 1.00 0.17 H new ATOM 0 HB2 GLU A 13 1.582 -12.751 7.411 1.00 0.19 H new ATOM 0 HB3 GLU A 13 0.246 -13.641 8.115 1.00 0.19 H new ATOM 0 HG2 GLU A 13 2.698 -14.930 6.808 1.00 0.28 H new ATOM 0 HG3 GLU A 13 2.477 -14.739 8.536 1.00 0.28 H new ATOM 218 N ALA A 14 -0.456 -11.522 5.607 1.00 0.15 N ATOM 219 CA ALA A 14 -1.536 -10.506 5.508 1.00 0.14 C ATOM 220 C ALA A 14 -2.375 -10.805 4.274 1.00 0.13 C ATOM 221 O ALA A 14 -3.586 -10.707 4.297 1.00 0.13 O ATOM 222 CB ALA A 14 -0.939 -9.103 5.394 1.00 0.15 C ATOM 0 H ALA A 14 0.492 -11.172 5.470 1.00 0.15 H new ATOM 0 HA ALA A 14 -2.155 -10.547 6.404 1.00 0.14 H new ATOM 0 HB1 ALA A 14 -1.743 -8.370 5.322 1.00 0.15 H new ATOM 0 HB2 ALA A 14 -0.334 -8.892 6.276 1.00 0.15 H new ATOM 0 HB3 ALA A 14 -0.314 -9.045 4.503 1.00 0.15 H new ATOM 228 N LEU A 15 -1.754 -11.182 3.192 1.00 0.12 N ATOM 229 CA LEU A 15 -2.549 -11.489 1.982 1.00 0.12 C ATOM 230 C LEU A 15 -3.494 -12.643 2.312 1.00 0.13 C ATOM 231 O LEU A 15 -4.647 -12.642 1.933 1.00 0.13 O ATOM 232 CB LEU A 15 -1.620 -11.906 0.841 1.00 0.13 C ATOM 233 CG LEU A 15 -0.807 -10.696 0.356 1.00 0.13 C ATOM 234 CD1 LEU A 15 0.330 -11.181 -0.558 1.00 0.17 C ATOM 235 CD2 LEU A 15 -1.713 -9.706 -0.407 1.00 0.17 C ATOM 0 H LEU A 15 -0.744 -11.289 3.097 1.00 0.12 H new ATOM 0 HA LEU A 15 -3.113 -10.609 1.674 1.00 0.12 H new ATOM 0 HB2 LEU A 15 -0.948 -12.695 1.178 1.00 0.13 H new ATOM 0 HB3 LEU A 15 -2.204 -12.316 0.017 1.00 0.13 H new ATOM 0 HG LEU A 15 -0.387 -10.180 1.219 1.00 0.13 H new ATOM 0 HD11 LEU A 15 0.909 -10.325 -0.904 1.00 0.17 H new ATOM 0 HD12 LEU A 15 0.979 -11.858 -0.003 1.00 0.17 H new ATOM 0 HD13 LEU A 15 -0.091 -11.705 -1.416 1.00 0.17 H new ATOM 0 HD21 LEU A 15 -1.120 -8.855 -0.743 1.00 0.17 H new ATOM 0 HD22 LEU A 15 -2.152 -10.206 -1.270 1.00 0.17 H new ATOM 0 HD23 LEU A 15 -2.507 -9.357 0.253 1.00 0.17 H new ATOM 247 N ASP A 16 -3.017 -13.623 3.040 1.00 0.13 N ATOM 248 CA ASP A 16 -3.898 -14.767 3.405 1.00 0.15 C ATOM 249 C ASP A 16 -4.952 -14.302 4.411 1.00 0.15 C ATOM 250 O ASP A 16 -6.072 -14.773 4.417 1.00 0.16 O ATOM 251 CB ASP A 16 -3.072 -15.893 4.038 1.00 0.17 C ATOM 252 CG ASP A 16 -3.950 -17.140 4.163 1.00 0.19 C ATOM 253 OD1 ASP A 16 -5.139 -16.982 4.385 1.00 1.07 O ATOM 254 OD2 ASP A 16 -3.419 -18.231 4.035 1.00 1.07 O ATOM 0 H ASP A 16 -2.062 -13.677 3.394 1.00 0.13 H new ATOM 0 HA ASP A 16 -4.381 -15.137 2.501 1.00 0.15 H new ATOM 0 HB2 ASP A 16 -2.196 -16.108 3.426 1.00 0.17 H new ATOM 0 HB3 ASP A 16 -2.708 -15.588 5.019 1.00 0.17 H new ATOM 259 N ALA A 17 -4.588 -13.391 5.271 1.00 0.15 N ATOM 260 CA ALA A 17 -5.546 -12.895 6.301 1.00 0.16 C ATOM 261 C ALA A 17 -6.641 -12.051 5.642 1.00 0.15 C ATOM 262 O ALA A 17 -7.792 -12.099 6.027 1.00 0.17 O ATOM 263 CB ALA A 17 -4.789 -12.040 7.318 1.00 0.18 C ATOM 0 H ALA A 17 -3.662 -12.966 5.305 1.00 0.15 H new ATOM 0 HA ALA A 17 -6.008 -13.747 6.800 1.00 0.16 H new ATOM 0 HB1 ALA A 17 -5.483 -11.674 8.074 1.00 0.18 H new ATOM 0 HB2 ALA A 17 -4.016 -12.642 7.796 1.00 0.18 H new ATOM 0 HB3 ALA A 17 -4.327 -11.194 6.810 1.00 0.18 H new ATOM 269 N ALA A 18 -6.292 -11.277 4.655 1.00 0.14 N ATOM 270 CA ALA A 18 -7.312 -10.425 3.977 1.00 0.15 C ATOM 271 C ALA A 18 -8.380 -11.313 3.331 1.00 0.14 C ATOM 272 O ALA A 18 -9.530 -10.938 3.224 1.00 0.17 O ATOM 273 CB ALA A 18 -6.630 -9.580 2.903 1.00 0.15 C ATOM 0 H ALA A 18 -5.344 -11.196 4.286 1.00 0.14 H new ATOM 0 HA ALA A 18 -7.785 -9.772 4.710 1.00 0.15 H new ATOM 0 HB1 ALA A 18 -7.372 -8.956 2.405 1.00 0.15 H new ATOM 0 HB2 ALA A 18 -5.874 -8.946 3.365 1.00 0.15 H new ATOM 0 HB3 ALA A 18 -6.157 -10.235 2.171 1.00 0.15 H new ATOM 279 N GLY A 19 -8.008 -12.488 2.901 1.00 0.16 N ATOM 280 CA GLY A 19 -9.001 -13.406 2.267 1.00 0.20 C ATOM 281 C GLY A 19 -9.471 -12.840 0.920 1.00 0.16 C ATOM 282 O GLY A 19 -8.676 -12.521 0.061 1.00 0.17 O ATOM 0 H GLY A 19 -7.058 -12.854 2.961 1.00 0.16 H new ATOM 0 HA2 GLY A 19 -8.554 -14.389 2.119 1.00 0.20 H new ATOM 0 HA3 GLY A 19 -9.856 -13.541 2.930 1.00 0.20 H new ATOM 286 N ASP A 20 -10.760 -12.730 0.718 1.00 0.15 N ATOM 287 CA ASP A 20 -11.278 -12.207 -0.582 1.00 0.14 C ATOM 288 C ASP A 20 -11.449 -10.687 -0.513 1.00 0.12 C ATOM 289 O ASP A 20 -11.912 -10.065 -1.449 1.00 0.13 O ATOM 290 CB ASP A 20 -12.634 -12.850 -0.878 1.00 0.15 C ATOM 291 CG ASP A 20 -12.471 -14.369 -0.960 1.00 0.18 C ATOM 292 OD1 ASP A 20 -11.619 -14.813 -1.711 1.00 1.07 O ATOM 293 OD2 ASP A 20 -13.197 -15.061 -0.267 1.00 1.07 O ATOM 0 H ASP A 20 -11.477 -12.980 1.399 1.00 0.15 H new ATOM 0 HA ASP A 20 -10.566 -12.450 -1.371 1.00 0.14 H new ATOM 0 HB2 ASP A 20 -13.349 -12.592 -0.097 1.00 0.15 H new ATOM 0 HB3 ASP A 20 -13.034 -12.465 -1.816 1.00 0.15 H new ATOM 298 N LYS A 21 -11.094 -10.082 0.585 1.00 0.12 N ATOM 299 CA LYS A 21 -11.262 -8.603 0.704 1.00 0.12 C ATOM 300 C LYS A 21 -10.201 -7.887 -0.132 1.00 0.10 C ATOM 301 O LYS A 21 -9.112 -8.387 -0.333 1.00 0.11 O ATOM 302 CB LYS A 21 -11.100 -8.183 2.169 1.00 0.15 C ATOM 303 CG LYS A 21 -12.245 -8.757 3.011 1.00 0.21 C ATOM 304 CD LYS A 21 -12.359 -7.978 4.328 1.00 0.31 C ATOM 305 CE LYS A 21 -13.203 -8.776 5.324 1.00 0.80 C ATOM 306 NZ LYS A 21 -13.468 -7.948 6.534 1.00 1.50 N ATOM 0 H LYS A 21 -10.696 -10.543 1.403 1.00 0.12 H new ATOM 0 HA LYS A 21 -12.255 -8.333 0.345 1.00 0.12 H new ATOM 0 HB2 LYS A 21 -10.143 -8.536 2.553 1.00 0.15 H new ATOM 0 HB3 LYS A 21 -11.092 -7.096 2.245 1.00 0.15 H new ATOM 0 HG2 LYS A 21 -13.182 -8.695 2.458 1.00 0.21 H new ATOM 0 HG3 LYS A 21 -12.065 -9.812 3.216 1.00 0.21 H new ATOM 0 HD2 LYS A 21 -11.367 -7.795 4.741 1.00 0.31 H new ATOM 0 HD3 LYS A 21 -12.814 -7.004 4.148 1.00 0.31 H new ATOM 0 HE2 LYS A 21 -14.144 -9.073 4.862 1.00 0.80 H new ATOM 0 HE3 LYS A 21 -12.683 -9.692 5.605 1.00 0.80 H new ATOM 0 HZ1 LYS A 21 -14.042 -8.493 7.209 1.00 1.50 H new ATOM 0 HZ2 LYS A 21 -12.566 -7.686 6.980 1.00 1.50 H new ATOM 0 HZ3 LYS A 21 -13.982 -7.087 6.259 1.00 1.50 H new ATOM 320 N LEU A 22 -10.508 -6.715 -0.622 1.00 0.11 N ATOM 321 CA LEU A 22 -9.520 -5.973 -1.439 1.00 0.12 C ATOM 322 C LEU A 22 -8.284 -5.728 -0.552 1.00 0.12 C ATOM 323 O LEU A 22 -8.383 -5.731 0.658 1.00 0.14 O ATOM 324 CB LEU A 22 -10.152 -4.631 -1.876 1.00 0.15 C ATOM 325 CG LEU A 22 -9.793 -4.282 -3.333 1.00 0.29 C ATOM 326 CD1 LEU A 22 -10.328 -2.871 -3.686 1.00 0.31 C ATOM 327 CD2 LEU A 22 -8.268 -4.319 -3.533 1.00 0.47 C ATOM 0 H LEU A 22 -11.403 -6.244 -0.488 1.00 0.11 H new ATOM 0 HA LEU A 22 -9.231 -6.529 -2.331 1.00 0.12 H new ATOM 0 HB2 LEU A 22 -11.235 -4.687 -1.771 1.00 0.15 H new ATOM 0 HB3 LEU A 22 -9.809 -3.835 -1.216 1.00 0.15 H new ATOM 0 HG LEU A 22 -10.254 -5.019 -3.990 1.00 0.29 H new ATOM 0 HD11 LEU A 22 -10.070 -2.632 -4.718 1.00 0.31 H new ATOM 0 HD12 LEU A 22 -11.412 -2.853 -3.569 1.00 0.31 H new ATOM 0 HD13 LEU A 22 -9.879 -2.134 -3.020 1.00 0.31 H new ATOM 0 HD21 LEU A 22 -8.031 -4.070 -4.567 1.00 0.47 H new ATOM 0 HD22 LEU A 22 -7.796 -3.595 -2.868 1.00 0.47 H new ATOM 0 HD23 LEU A 22 -7.895 -5.318 -3.305 1.00 0.47 H new ATOM 339 N VAL A 23 -7.127 -5.525 -1.128 1.00 0.11 N ATOM 340 CA VAL A 23 -5.910 -5.291 -0.301 1.00 0.11 C ATOM 341 C VAL A 23 -5.011 -4.279 -0.996 1.00 0.11 C ATOM 342 O VAL A 23 -4.433 -4.558 -2.028 1.00 0.17 O ATOM 343 CB VAL A 23 -5.146 -6.602 -0.132 1.00 0.11 C ATOM 344 CG1 VAL A 23 -3.889 -6.360 0.714 1.00 0.16 C ATOM 345 CG2 VAL A 23 -6.044 -7.627 0.555 1.00 0.12 C ATOM 0 H VAL A 23 -6.974 -5.512 -2.136 1.00 0.11 H new ATOM 0 HA VAL A 23 -6.208 -4.911 0.676 1.00 0.11 H new ATOM 0 HB VAL A 23 -4.850 -6.981 -1.110 1.00 0.11 H new ATOM 0 HG11 VAL A 23 -3.345 -7.297 0.834 1.00 0.16 H new ATOM 0 HG12 VAL A 23 -3.250 -5.630 0.216 1.00 0.16 H new ATOM 0 HG13 VAL A 23 -4.178 -5.980 1.694 1.00 0.16 H new ATOM 0 HG21 VAL A 23 -5.500 -8.564 0.676 1.00 0.12 H new ATOM 0 HG22 VAL A 23 -6.343 -7.251 1.534 1.00 0.12 H new ATOM 0 HG23 VAL A 23 -6.932 -7.799 -0.054 1.00 0.12 H new ATOM 355 N VAL A 24 -4.881 -3.108 -0.436 1.00 0.09 N ATOM 356 CA VAL A 24 -4.010 -2.072 -1.054 1.00 0.09 C ATOM 357 C VAL A 24 -2.682 -2.056 -0.296 1.00 0.09 C ATOM 358 O VAL A 24 -2.652 -2.221 0.907 1.00 0.10 O ATOM 359 CB VAL A 24 -4.685 -0.699 -0.956 1.00 0.11 C ATOM 360 CG1 VAL A 24 -3.858 0.329 -1.728 1.00 0.12 C ATOM 361 CG2 VAL A 24 -6.089 -0.768 -1.565 1.00 0.14 C ATOM 0 H VAL A 24 -5.344 -2.824 0.428 1.00 0.09 H new ATOM 0 HA VAL A 24 -3.840 -2.298 -2.107 1.00 0.09 H new ATOM 0 HB VAL A 24 -4.755 -0.408 0.092 1.00 0.11 H new ATOM 0 HG11 VAL A 24 -4.336 1.306 -1.660 1.00 0.12 H new ATOM 0 HG12 VAL A 24 -2.856 0.385 -1.302 1.00 0.12 H new ATOM 0 HG13 VAL A 24 -3.791 0.030 -2.774 1.00 0.12 H new ATOM 0 HG21 VAL A 24 -6.565 0.210 -1.493 1.00 0.14 H new ATOM 0 HG22 VAL A 24 -6.017 -1.061 -2.613 1.00 0.14 H new ATOM 0 HG23 VAL A 24 -6.685 -1.502 -1.023 1.00 0.14 H new ATOM 371 N VAL A 25 -1.581 -1.883 -0.988 1.00 0.09 N ATOM 372 CA VAL A 25 -0.244 -1.877 -0.308 1.00 0.09 C ATOM 373 C VAL A 25 0.496 -0.578 -0.640 1.00 0.10 C ATOM 374 O VAL A 25 0.757 -0.283 -1.786 1.00 0.11 O ATOM 375 CB VAL A 25 0.581 -3.067 -0.818 1.00 0.09 C ATOM 376 CG1 VAL A 25 1.904 -3.156 -0.060 1.00 0.13 C ATOM 377 CG2 VAL A 25 -0.193 -4.369 -0.610 1.00 0.10 C ATOM 0 H VAL A 25 -1.550 -1.745 -1.998 1.00 0.09 H new ATOM 0 HA VAL A 25 -0.383 -1.951 0.771 1.00 0.09 H new ATOM 0 HB VAL A 25 0.776 -2.919 -1.880 1.00 0.09 H new ATOM 0 HG11 VAL A 25 2.480 -4.004 -0.431 1.00 0.13 H new ATOM 0 HG12 VAL A 25 2.472 -2.238 -0.211 1.00 0.13 H new ATOM 0 HG13 VAL A 25 1.706 -3.290 1.003 1.00 0.13 H new ATOM 0 HG21 VAL A 25 0.400 -5.207 -0.975 1.00 0.10 H new ATOM 0 HG22 VAL A 25 -0.398 -4.505 0.452 1.00 0.10 H new ATOM 0 HG23 VAL A 25 -1.134 -4.325 -1.159 1.00 0.10 H new ATOM 387 N ASP A 26 0.854 0.189 0.358 1.00 0.11 N ATOM 388 CA ASP A 26 1.596 1.470 0.111 1.00 0.12 C ATOM 389 C ASP A 26 3.104 1.254 0.334 1.00 0.14 C ATOM 390 O ASP A 26 3.530 0.876 1.405 1.00 0.20 O ATOM 391 CB ASP A 26 1.089 2.543 1.083 1.00 0.14 C ATOM 392 CG ASP A 26 1.788 3.872 0.790 1.00 0.16 C ATOM 393 OD1 ASP A 26 2.294 4.024 -0.309 1.00 1.05 O ATOM 394 OD2 ASP A 26 1.803 4.715 1.673 1.00 1.04 O ATOM 0 H ASP A 26 0.665 -0.015 1.339 1.00 0.11 H new ATOM 0 HA ASP A 26 1.428 1.791 -0.917 1.00 0.12 H new ATOM 0 HB2 ASP A 26 0.010 2.658 0.983 1.00 0.14 H new ATOM 0 HB3 ASP A 26 1.283 2.237 2.111 1.00 0.14 H new ATOM 399 N PHE A 27 3.915 1.496 -0.667 1.00 0.13 N ATOM 400 CA PHE A 27 5.402 1.316 -0.514 1.00 0.13 C ATOM 401 C PHE A 27 6.061 2.651 -0.184 1.00 0.22 C ATOM 402 O PHE A 27 7.244 2.831 -0.388 1.00 0.73 O ATOM 403 CB PHE A 27 6.016 0.764 -1.810 1.00 0.11 C ATOM 404 CG PHE A 27 5.700 -0.704 -1.939 1.00 0.10 C ATOM 405 CD1 PHE A 27 6.477 -1.642 -1.245 1.00 0.11 C ATOM 406 CD2 PHE A 27 4.646 -1.133 -2.749 1.00 0.12 C ATOM 407 CE1 PHE A 27 6.197 -3.007 -1.361 1.00 0.14 C ATOM 408 CE2 PHE A 27 4.366 -2.499 -2.863 1.00 0.14 C ATOM 409 CZ PHE A 27 5.141 -3.436 -2.169 1.00 0.14 C ATOM 0 H PHE A 27 3.614 1.812 -1.589 1.00 0.13 H new ATOM 0 HA PHE A 27 5.575 0.608 0.297 1.00 0.13 H new ATOM 0 HB2 PHE A 27 5.623 1.307 -2.670 1.00 0.11 H new ATOM 0 HB3 PHE A 27 7.096 0.914 -1.805 1.00 0.11 H new ATOM 0 HD1 PHE A 27 7.293 -1.310 -0.620 1.00 0.11 H new ATOM 0 HD2 PHE A 27 4.048 -0.412 -3.286 1.00 0.12 H new ATOM 0 HE1 PHE A 27 6.796 -3.729 -0.827 1.00 0.14 H new ATOM 0 HE2 PHE A 27 3.550 -2.831 -3.488 1.00 0.14 H new ATOM 0 HZ PHE A 27 4.923 -4.490 -2.258 1.00 0.14 H new ATOM 419 N SER A 28 5.313 3.597 0.293 1.00 0.30 N ATOM 420 CA SER A 28 5.914 4.921 0.594 1.00 0.24 C ATOM 421 C SER A 28 7.113 4.767 1.524 1.00 0.24 C ATOM 422 O SER A 28 7.122 3.955 2.427 1.00 0.28 O ATOM 423 CB SER A 28 4.880 5.809 1.277 1.00 0.27 C ATOM 424 OG SER A 28 3.762 5.980 0.415 1.00 0.29 O ATOM 0 H SER A 28 4.315 3.514 0.488 1.00 0.30 H new ATOM 0 HA SER A 28 6.240 5.371 -0.344 1.00 0.24 H new ATOM 0 HB2 SER A 28 4.563 5.359 2.218 1.00 0.27 H new ATOM 0 HB3 SER A 28 5.319 6.777 1.519 1.00 0.27 H new ATOM 0 HG SER A 28 3.561 5.131 -0.032 1.00 0.29 H new ATOM 430 N ALA A 29 8.119 5.570 1.314 1.00 0.20 N ATOM 431 CA ALA A 29 9.321 5.510 2.181 1.00 0.21 C ATOM 432 C ALA A 29 9.022 6.288 3.456 1.00 0.22 C ATOM 433 O ALA A 29 8.576 7.415 3.413 1.00 0.22 O ATOM 434 CB ALA A 29 10.506 6.152 1.446 1.00 0.19 C ATOM 0 H ALA A 29 8.157 6.269 0.572 1.00 0.20 H new ATOM 0 HA ALA A 29 9.571 4.477 2.422 1.00 0.21 H new ATOM 0 HB1 ALA A 29 11.392 6.111 2.079 1.00 0.19 H new ATOM 0 HB2 ALA A 29 10.696 5.610 0.519 1.00 0.19 H new ATOM 0 HB3 ALA A 29 10.272 7.192 1.217 1.00 0.19 H new ATOM 440 N THR A 30 9.261 5.706 4.593 1.00 0.23 N ATOM 441 CA THR A 30 8.976 6.438 5.854 1.00 0.24 C ATOM 442 C THR A 30 9.959 7.592 5.990 1.00 0.22 C ATOM 443 O THR A 30 9.645 8.630 6.538 1.00 0.22 O ATOM 444 CB THR A 30 9.137 5.499 7.051 1.00 0.28 C ATOM 445 OG1 THR A 30 8.883 6.221 8.250 1.00 0.30 O ATOM 446 CG2 THR A 30 10.560 4.934 7.079 1.00 0.29 C ATOM 0 H THR A 30 9.638 4.765 4.705 1.00 0.23 H new ATOM 0 HA THR A 30 7.954 6.816 5.829 1.00 0.24 H new ATOM 0 HB THR A 30 8.430 4.674 6.965 1.00 0.28 H new ATOM 0 HG1 THR A 30 8.984 5.623 9.020 1.00 0.30 H new ATOM 0 HG21 THR A 30 10.669 4.266 7.933 1.00 0.29 H new ATOM 0 HG22 THR A 30 10.750 4.381 6.159 1.00 0.29 H new ATOM 0 HG23 THR A 30 11.275 5.752 7.165 1.00 0.29 H new ATOM 454 N TRP A 31 11.152 7.419 5.498 1.00 0.22 N ATOM 455 CA TRP A 31 12.159 8.510 5.610 1.00 0.21 C ATOM 456 C TRP A 31 11.836 9.646 4.646 1.00 0.19 C ATOM 457 O TRP A 31 12.280 10.762 4.824 1.00 0.22 O ATOM 458 CB TRP A 31 13.544 7.970 5.287 1.00 0.23 C ATOM 459 CG TRP A 31 13.591 7.499 3.866 1.00 0.22 C ATOM 460 CD1 TRP A 31 13.480 6.212 3.482 1.00 0.26 C ATOM 461 CD2 TRP A 31 13.747 8.277 2.643 1.00 0.21 C ATOM 462 NE1 TRP A 31 13.605 6.138 2.105 1.00 0.25 N ATOM 463 CE2 TRP A 31 13.759 7.386 1.540 1.00 0.21 C ATOM 464 CE3 TRP A 31 13.889 9.652 2.383 1.00 0.21 C ATOM 465 CZ2 TRP A 31 13.906 7.846 0.233 1.00 0.21 C ATOM 466 CZ3 TRP A 31 14.033 10.116 1.067 1.00 0.23 C ATOM 467 CH2 TRP A 31 14.042 9.215 -0.005 1.00 0.21 C ATOM 0 H TRP A 31 11.473 6.574 5.025 1.00 0.22 H new ATOM 0 HA TRP A 31 12.134 8.890 6.631 1.00 0.21 H new ATOM 0 HB2 TRP A 31 14.292 8.746 5.447 1.00 0.23 H new ATOM 0 HB3 TRP A 31 13.789 7.148 5.960 1.00 0.23 H new ATOM 0 HD1 TRP A 31 13.319 5.373 4.142 1.00 0.26 H new ATOM 0 HE1 TRP A 31 13.586 5.267 1.574 1.00 0.25 H new ATOM 0 HE3 TRP A 31 13.887 10.356 3.202 1.00 0.21 H new ATOM 0 HZ2 TRP A 31 13.915 7.148 -0.591 1.00 0.21 H new ATOM 0 HZ3 TRP A 31 14.138 11.174 0.879 1.00 0.23 H new ATOM 0 HH2 TRP A 31 14.154 9.579 -1.016 1.00 0.21 H new ATOM 478 N CYS A 32 11.080 9.378 3.618 1.00 0.18 N ATOM 479 CA CYS A 32 10.756 10.459 2.644 1.00 0.17 C ATOM 480 C CYS A 32 9.557 11.241 3.167 1.00 0.17 C ATOM 481 O CYS A 32 8.459 10.736 3.276 1.00 0.20 O ATOM 482 CB CYS A 32 10.453 9.838 1.273 1.00 0.18 C ATOM 483 SG CYS A 32 10.529 11.126 -0.012 1.00 0.26 S ATOM 0 H CYS A 32 10.675 8.465 3.410 1.00 0.18 H new ATOM 0 HA CYS A 32 11.601 11.138 2.530 1.00 0.17 H new ATOM 0 HB2 CYS A 32 11.172 9.048 1.053 1.00 0.18 H new ATOM 0 HB3 CYS A 32 9.465 9.377 1.282 1.00 0.18 H new ATOM 488 N GLY A 33 9.784 12.476 3.515 1.00 0.20 N ATOM 489 CA GLY A 33 8.693 13.322 4.065 1.00 0.23 C ATOM 490 C GLY A 33 7.544 13.474 3.060 1.00 0.21 C ATOM 491 O GLY A 33 6.404 13.236 3.398 1.00 0.22 O ATOM 0 H GLY A 33 10.690 12.939 3.440 1.00 0.20 H new ATOM 0 HA2 GLY A 33 8.316 12.879 4.987 1.00 0.23 H new ATOM 0 HA3 GLY A 33 9.087 14.305 4.322 1.00 0.23 H new ATOM 495 N PRO A 34 7.815 13.868 1.840 1.00 0.21 N ATOM 496 CA PRO A 34 6.723 14.023 0.838 1.00 0.22 C ATOM 497 C PRO A 34 5.828 12.782 0.766 1.00 0.22 C ATOM 498 O PRO A 34 4.631 12.876 0.591 1.00 0.24 O ATOM 499 CB PRO A 34 7.516 14.223 -0.461 1.00 0.29 C ATOM 500 CG PRO A 34 8.930 14.676 -0.070 1.00 0.31 C ATOM 501 CD PRO A 34 9.191 14.200 1.370 1.00 0.24 C ATOM 0 HA PRO A 34 6.034 14.836 1.067 1.00 0.22 H new ATOM 0 HB2 PRO A 34 7.554 13.296 -1.034 1.00 0.29 H new ATOM 0 HB3 PRO A 34 7.035 14.969 -1.093 1.00 0.29 H new ATOM 0 HG2 PRO A 34 9.669 14.255 -0.752 1.00 0.31 H new ATOM 0 HG3 PRO A 34 9.016 15.761 -0.136 1.00 0.31 H new ATOM 0 HD2 PRO A 34 9.853 13.334 1.400 1.00 0.24 H new ATOM 0 HD3 PRO A 34 9.654 14.976 1.979 1.00 0.24 H new ATOM 509 N ALA A 35 6.403 11.623 0.913 1.00 0.21 N ATOM 510 CA ALA A 35 5.590 10.377 0.865 1.00 0.23 C ATOM 511 C ALA A 35 4.883 10.186 2.211 1.00 0.23 C ATOM 512 O ALA A 35 3.703 9.910 2.272 1.00 0.22 O ATOM 513 CB ALA A 35 6.516 9.183 0.572 1.00 0.24 C ATOM 0 H ALA A 35 7.402 11.484 1.065 1.00 0.21 H new ATOM 0 HA ALA A 35 4.840 10.446 0.078 1.00 0.23 H new ATOM 0 HB1 ALA A 35 5.927 8.266 0.535 1.00 0.24 H new ATOM 0 HB2 ALA A 35 7.012 9.334 -0.387 1.00 0.24 H new ATOM 0 HB3 ALA A 35 7.265 9.102 1.360 1.00 0.24 H new ATOM 519 N LYS A 36 5.594 10.349 3.294 1.00 0.25 N ATOM 520 CA LYS A 36 4.960 10.185 4.631 1.00 0.27 C ATOM 521 C LYS A 36 3.812 11.184 4.763 1.00 0.26 C ATOM 522 O LYS A 36 2.811 10.922 5.399 1.00 0.27 O ATOM 523 CB LYS A 36 5.992 10.449 5.730 1.00 0.33 C ATOM 524 CG LYS A 36 5.363 10.138 7.093 1.00 0.37 C ATOM 525 CD LYS A 36 6.355 10.455 8.221 1.00 0.44 C ATOM 526 CE LYS A 36 6.317 11.945 8.566 1.00 0.89 C ATOM 527 NZ LYS A 36 7.160 12.178 9.769 1.00 1.59 N ATOM 0 H LYS A 36 6.585 10.588 3.309 1.00 0.25 H new ATOM 0 HA LYS A 36 4.581 9.168 4.733 1.00 0.27 H new ATOM 0 HB2 LYS A 36 6.875 9.830 5.573 1.00 0.33 H new ATOM 0 HB3 LYS A 36 6.321 11.488 5.696 1.00 0.33 H new ATOM 0 HG2 LYS A 36 4.453 10.724 7.224 1.00 0.37 H new ATOM 0 HG3 LYS A 36 5.075 9.088 7.137 1.00 0.37 H new ATOM 0 HD2 LYS A 36 6.111 9.865 9.104 1.00 0.44 H new ATOM 0 HD3 LYS A 36 7.363 10.172 7.917 1.00 0.44 H new ATOM 0 HE2 LYS A 36 6.684 12.536 7.727 1.00 0.89 H new ATOM 0 HE3 LYS A 36 5.292 12.263 8.756 1.00 0.89 H new ATOM 0 HZ1 LYS A 36 7.143 13.188 10.015 1.00 1.59 H new ATOM 0 HZ2 LYS A 36 6.789 11.622 10.566 1.00 1.59 H new ATOM 0 HZ3 LYS A 36 8.138 11.887 9.569 1.00 1.59 H new ATOM 541 N MET A 37 3.956 12.324 4.159 1.00 0.28 N ATOM 542 CA MET A 37 2.897 13.370 4.228 1.00 0.30 C ATOM 543 C MET A 37 1.580 12.826 3.661 1.00 0.25 C ATOM 544 O MET A 37 0.518 13.271 4.031 1.00 0.25 O ATOM 545 CB MET A 37 3.363 14.586 3.424 1.00 0.38 C ATOM 546 CG MET A 37 2.411 15.763 3.640 1.00 0.44 C ATOM 547 SD MET A 37 0.952 15.550 2.594 1.00 1.54 S ATOM 548 CE MET A 37 1.624 16.376 1.131 1.00 2.10 C ATOM 0 H MET A 37 4.776 12.583 3.610 1.00 0.28 H new ATOM 0 HA MET A 37 2.725 13.659 5.265 1.00 0.30 H new ATOM 0 HB2 MET A 37 4.372 14.866 3.727 1.00 0.38 H new ATOM 0 HB3 MET A 37 3.406 14.335 2.364 1.00 0.38 H new ATOM 0 HG2 MET A 37 2.116 15.820 4.688 1.00 0.44 H new ATOM 0 HG3 MET A 37 2.912 16.700 3.398 1.00 0.44 H new ATOM 0 HE1 MET A 37 0.881 16.366 0.334 1.00 2.10 H new ATOM 0 HE2 MET A 37 1.877 17.407 1.379 1.00 2.10 H new ATOM 0 HE3 MET A 37 2.520 15.853 0.797 1.00 2.10 H new ATOM 558 N ILE A 38 1.648 11.887 2.758 1.00 0.23 N ATOM 559 CA ILE A 38 0.405 11.312 2.154 1.00 0.25 C ATOM 560 C ILE A 38 -0.184 10.204 3.053 1.00 0.26 C ATOM 561 O ILE A 38 -1.219 9.645 2.752 1.00 0.31 O ATOM 562 CB ILE A 38 0.720 10.718 0.767 1.00 0.33 C ATOM 563 CG1 ILE A 38 1.695 11.630 0.012 1.00 0.34 C ATOM 564 CG2 ILE A 38 -0.576 10.587 -0.044 1.00 0.35 C ATOM 565 CD1 ILE A 38 2.081 10.968 -1.309 1.00 0.49 C ATOM 0 H ILE A 38 2.518 11.487 2.407 1.00 0.23 H new ATOM 0 HA ILE A 38 -0.325 12.116 2.058 1.00 0.25 H new ATOM 0 HB ILE A 38 1.174 9.736 0.900 1.00 0.33 H new ATOM 0 HG12 ILE A 38 1.234 12.600 -0.175 1.00 0.34 H new ATOM 0 HG13 ILE A 38 2.584 11.811 0.616 1.00 0.34 H new ATOM 0 HG21 ILE A 38 -0.351 10.167 -1.024 1.00 0.35 H new ATOM 0 HG22 ILE A 38 -1.269 9.930 0.482 1.00 0.35 H new ATOM 0 HG23 ILE A 38 -1.030 11.571 -0.166 1.00 0.35 H new ATOM 0 HD11 ILE A 38 2.774 11.612 -1.850 1.00 0.49 H new ATOM 0 HD12 ILE A 38 2.558 10.008 -1.109 1.00 0.49 H new ATOM 0 HD13 ILE A 38 1.187 10.810 -1.912 1.00 0.49 H new ATOM 577 N LYS A 39 0.477 9.815 4.116 1.00 0.27 N ATOM 578 CA LYS A 39 -0.081 8.692 4.933 1.00 0.34 C ATOM 579 C LYS A 39 -1.489 8.994 5.512 1.00 0.30 C ATOM 580 O LYS A 39 -2.255 8.077 5.696 1.00 0.33 O ATOM 581 CB LYS A 39 0.889 8.232 6.050 1.00 0.46 C ATOM 582 CG LYS A 39 0.858 9.135 7.307 1.00 0.50 C ATOM 583 CD LYS A 39 1.435 8.360 8.508 1.00 0.65 C ATOM 584 CE LYS A 39 0.532 7.160 8.879 1.00 0.80 C ATOM 585 NZ LYS A 39 1.100 5.906 8.296 1.00 0.75 N ATOM 0 H LYS A 39 1.356 10.214 4.447 1.00 0.27 H new ATOM 0 HA LYS A 39 -0.198 7.865 4.233 1.00 0.34 H new ATOM 0 HB2 LYS A 39 0.639 7.211 6.340 1.00 0.46 H new ATOM 0 HB3 LYS A 39 1.904 8.211 5.653 1.00 0.46 H new ATOM 0 HG2 LYS A 39 1.438 10.041 7.132 1.00 0.50 H new ATOM 0 HG3 LYS A 39 -0.165 9.447 7.519 1.00 0.50 H new ATOM 0 HD2 LYS A 39 2.437 8.005 8.269 1.00 0.65 H new ATOM 0 HD3 LYS A 39 1.529 9.027 9.365 1.00 0.65 H new ATOM 0 HE2 LYS A 39 0.459 7.068 9.963 1.00 0.80 H new ATOM 0 HE3 LYS A 39 -0.478 7.322 8.504 1.00 0.80 H new ATOM 0 HZ1 LYS A 39 0.368 5.419 7.741 1.00 0.75 H new ATOM 0 HZ2 LYS A 39 1.903 6.143 7.678 1.00 0.75 H new ATOM 0 HZ3 LYS A 39 1.425 5.283 9.063 1.00 0.75 H new ATOM 599 N PRO A 40 -1.851 10.227 5.837 1.00 0.26 N ATOM 600 CA PRO A 40 -3.206 10.473 6.417 1.00 0.25 C ATOM 601 C PRO A 40 -4.325 10.033 5.473 1.00 0.20 C ATOM 602 O PRO A 40 -5.299 9.471 5.902 1.00 0.21 O ATOM 603 CB PRO A 40 -3.194 12.001 6.603 1.00 0.26 C ATOM 604 CG PRO A 40 -1.730 12.425 6.599 1.00 0.28 C ATOM 605 CD PRO A 40 -1.010 11.442 5.677 1.00 0.27 C ATOM 0 HA PRO A 40 -3.395 9.914 7.333 1.00 0.25 H new ATOM 0 HB2 PRO A 40 -3.743 12.494 5.801 1.00 0.26 H new ATOM 0 HB3 PRO A 40 -3.677 12.282 7.539 1.00 0.26 H new ATOM 0 HG2 PRO A 40 -1.621 13.448 6.240 1.00 0.28 H new ATOM 0 HG3 PRO A 40 -1.312 12.394 7.605 1.00 0.28 H new ATOM 0 HD2 PRO A 40 -0.983 11.791 4.645 1.00 0.27 H new ATOM 0 HD3 PRO A 40 0.022 11.271 5.983 1.00 0.27 H new ATOM 613 N PHE A 41 -4.195 10.269 4.194 1.00 0.16 N ATOM 614 CA PHE A 41 -5.282 9.833 3.269 1.00 0.13 C ATOM 615 C PHE A 41 -5.316 8.303 3.206 1.00 0.13 C ATOM 616 O PHE A 41 -6.340 7.675 3.371 1.00 0.15 O ATOM 617 CB PHE A 41 -4.993 10.351 1.857 1.00 0.14 C ATOM 618 CG PHE A 41 -5.163 11.842 1.792 1.00 0.18 C ATOM 619 CD1 PHE A 41 -4.156 12.674 2.283 1.00 0.25 C ATOM 620 CD2 PHE A 41 -6.321 12.392 1.232 1.00 0.22 C ATOM 621 CE1 PHE A 41 -4.304 14.062 2.217 1.00 0.34 C ATOM 622 CE2 PHE A 41 -6.470 13.783 1.165 1.00 0.31 C ATOM 623 CZ PHE A 41 -5.461 14.618 1.659 1.00 0.37 C ATOM 0 H PHE A 41 -3.400 10.735 3.756 1.00 0.16 H new ATOM 0 HA PHE A 41 -6.232 10.224 3.633 1.00 0.13 H new ATOM 0 HB2 PHE A 41 -3.977 10.083 1.567 1.00 0.14 H new ATOM 0 HB3 PHE A 41 -5.665 9.872 1.144 1.00 0.14 H new ATOM 0 HD1 PHE A 41 -3.263 12.246 2.714 1.00 0.25 H new ATOM 0 HD2 PHE A 41 -7.098 11.745 0.852 1.00 0.22 H new ATOM 0 HE1 PHE A 41 -3.525 14.706 2.597 1.00 0.34 H new ATOM 0 HE2 PHE A 41 -7.362 14.211 0.733 1.00 0.31 H new ATOM 0 HZ PHE A 41 -5.575 15.691 1.610 1.00 0.37 H new ATOM 633 N PHE A 42 -4.181 7.701 3.003 1.00 0.12 N ATOM 634 CA PHE A 42 -4.103 6.218 2.944 1.00 0.13 C ATOM 635 C PHE A 42 -4.561 5.633 4.283 1.00 0.14 C ATOM 636 O PHE A 42 -5.407 4.761 4.348 1.00 0.16 O ATOM 637 CB PHE A 42 -2.648 5.845 2.632 1.00 0.13 C ATOM 638 CG PHE A 42 -2.503 4.351 2.560 1.00 0.12 C ATOM 639 CD1 PHE A 42 -2.822 3.668 1.381 1.00 0.12 C ATOM 640 CD2 PHE A 42 -2.068 3.647 3.687 1.00 0.12 C ATOM 641 CE1 PHE A 42 -2.707 2.274 1.332 1.00 0.13 C ATOM 642 CE2 PHE A 42 -1.949 2.255 3.639 1.00 0.13 C ATOM 643 CZ PHE A 42 -2.270 1.566 2.462 1.00 0.13 C ATOM 0 H PHE A 42 -3.290 8.181 2.873 1.00 0.12 H new ATOM 0 HA PHE A 42 -4.753 5.812 2.169 1.00 0.13 H new ATOM 0 HB2 PHE A 42 -2.344 6.294 1.686 1.00 0.13 H new ATOM 0 HB3 PHE A 42 -1.988 6.246 3.402 1.00 0.13 H new ATOM 0 HD1 PHE A 42 -3.156 4.215 0.512 1.00 0.12 H new ATOM 0 HD2 PHE A 42 -1.824 4.179 4.595 1.00 0.12 H new ATOM 0 HE1 PHE A 42 -2.955 1.743 0.425 1.00 0.13 H new ATOM 0 HE2 PHE A 42 -1.610 1.711 4.508 1.00 0.13 H new ATOM 0 HZ PHE A 42 -2.181 0.490 2.424 1.00 0.13 H new ATOM 653 N HIS A 43 -4.003 6.130 5.345 1.00 0.16 N ATOM 654 CA HIS A 43 -4.357 5.651 6.711 1.00 0.18 C ATOM 655 C HIS A 43 -5.800 6.046 7.077 1.00 0.16 C ATOM 656 O HIS A 43 -6.535 5.273 7.660 1.00 0.16 O ATOM 657 CB HIS A 43 -3.370 6.298 7.687 1.00 0.23 C ATOM 658 CG HIS A 43 -3.673 5.859 9.085 1.00 0.27 C ATOM 659 ND1 HIS A 43 -3.081 4.741 9.640 1.00 0.30 N ATOM 660 CD2 HIS A 43 -4.569 6.313 10.013 1.00 0.28 C ATOM 661 CE1 HIS A 43 -3.634 4.550 10.850 1.00 0.32 C ATOM 662 NE2 HIS A 43 -4.549 5.483 11.129 1.00 0.31 N ATOM 0 H HIS A 43 -3.298 6.867 5.326 1.00 0.16 H new ATOM 0 HA HIS A 43 -4.297 4.564 6.756 1.00 0.18 H new ATOM 0 HB2 HIS A 43 -2.350 6.021 7.423 1.00 0.23 H new ATOM 0 HB3 HIS A 43 -3.434 7.384 7.616 1.00 0.23 H new ATOM 0 HD2 HIS A 43 -5.197 7.184 9.897 1.00 0.28 H new ATOM 0 HE1 HIS A 43 -3.371 3.741 11.516 1.00 0.32 H new ATOM 0 HE2 HIS A 43 -5.111 5.568 11.976 1.00 0.31 H new ATOM 670 N SER A 44 -6.205 7.246 6.751 1.00 0.15 N ATOM 671 CA SER A 44 -7.597 7.695 7.085 1.00 0.15 C ATOM 672 C SER A 44 -8.626 6.858 6.319 1.00 0.13 C ATOM 673 O SER A 44 -9.689 6.548 6.816 1.00 0.15 O ATOM 674 CB SER A 44 -7.780 9.173 6.728 1.00 0.18 C ATOM 675 OG SER A 44 -6.896 9.962 7.515 1.00 0.22 O ATOM 0 H SER A 44 -5.633 7.938 6.267 1.00 0.15 H new ATOM 0 HA SER A 44 -7.750 7.561 8.156 1.00 0.15 H new ATOM 0 HB2 SER A 44 -7.579 9.330 5.668 1.00 0.18 H new ATOM 0 HB3 SER A 44 -8.812 9.476 6.906 1.00 0.18 H new ATOM 0 HG SER A 44 -5.973 9.807 7.225 1.00 0.22 H new ATOM 681 N LEU A 45 -8.322 6.520 5.095 1.00 0.12 N ATOM 682 CA LEU A 45 -9.277 5.729 4.267 1.00 0.14 C ATOM 683 C LEU A 45 -9.509 4.353 4.882 1.00 0.13 C ATOM 684 O LEU A 45 -10.515 3.722 4.629 1.00 0.15 O ATOM 685 CB LEU A 45 -8.721 5.555 2.853 1.00 0.16 C ATOM 686 CG LEU A 45 -8.815 6.878 2.069 1.00 0.18 C ATOM 687 CD1 LEU A 45 -7.841 6.838 0.891 1.00 0.20 C ATOM 688 CD2 LEU A 45 -10.240 7.079 1.533 1.00 0.22 C ATOM 0 H LEU A 45 -7.446 6.760 4.630 1.00 0.12 H new ATOM 0 HA LEU A 45 -10.223 6.268 4.229 1.00 0.14 H new ATOM 0 HB2 LEU A 45 -7.682 5.228 2.902 1.00 0.16 H new ATOM 0 HB3 LEU A 45 -9.276 4.776 2.331 1.00 0.16 H new ATOM 0 HG LEU A 45 -8.564 7.702 2.737 1.00 0.18 H new ATOM 0 HD11 LEU A 45 -7.905 7.773 0.334 1.00 0.20 H new ATOM 0 HD12 LEU A 45 -6.825 6.706 1.263 1.00 0.20 H new ATOM 0 HD13 LEU A 45 -8.098 6.006 0.235 1.00 0.20 H new ATOM 0 HD21 LEU A 45 -10.292 8.018 0.981 1.00 0.22 H new ATOM 0 HD22 LEU A 45 -10.499 6.253 0.870 1.00 0.22 H new ATOM 0 HD23 LEU A 45 -10.941 7.109 2.367 1.00 0.22 H new ATOM 700 N SER A 46 -8.593 3.860 5.672 1.00 0.12 N ATOM 701 CA SER A 46 -8.802 2.511 6.263 1.00 0.12 C ATOM 702 C SER A 46 -10.157 2.503 6.952 1.00 0.14 C ATOM 703 O SER A 46 -10.895 1.540 6.884 1.00 0.16 O ATOM 704 CB SER A 46 -7.713 2.208 7.298 1.00 0.13 C ATOM 705 OG SER A 46 -6.439 2.246 6.671 1.00 0.14 O ATOM 0 H SER A 46 -7.723 4.326 5.929 1.00 0.12 H new ATOM 0 HA SER A 46 -8.759 1.756 5.478 1.00 0.12 H new ATOM 0 HB2 SER A 46 -7.753 2.937 8.108 1.00 0.13 H new ATOM 0 HB3 SER A 46 -7.882 1.227 7.743 1.00 0.13 H new ATOM 0 HG SER A 46 -6.065 3.149 6.744 1.00 0.14 H new ATOM 711 N GLU A 47 -10.496 3.573 7.613 1.00 0.15 N ATOM 712 CA GLU A 47 -11.815 3.630 8.296 1.00 0.18 C ATOM 713 C GLU A 47 -12.896 4.032 7.280 1.00 0.18 C ATOM 714 O GLU A 47 -14.070 3.830 7.514 1.00 0.21 O ATOM 715 CB GLU A 47 -11.772 4.662 9.430 1.00 0.22 C ATOM 716 CG GLU A 47 -10.841 4.186 10.557 1.00 0.23 C ATOM 717 CD GLU A 47 -11.386 2.907 11.202 1.00 1.34 C ATOM 718 OE1 GLU A 47 -12.550 2.606 10.995 1.00 2.16 O ATOM 719 OE2 GLU A 47 -10.629 2.255 11.904 1.00 2.05 O ATOM 0 H GLU A 47 -9.918 4.408 7.709 1.00 0.15 H new ATOM 0 HA GLU A 47 -12.047 2.650 8.713 1.00 0.18 H new ATOM 0 HB2 GLU A 47 -11.425 5.621 9.044 1.00 0.22 H new ATOM 0 HB3 GLU A 47 -12.776 4.821 9.823 1.00 0.22 H new ATOM 0 HG2 GLU A 47 -9.843 4.002 10.159 1.00 0.23 H new ATOM 0 HG3 GLU A 47 -10.744 4.967 11.311 1.00 0.23 H new ATOM 726 N LYS A 48 -12.523 4.594 6.147 1.00 0.17 N ATOM 727 CA LYS A 48 -13.568 4.977 5.149 1.00 0.19 C ATOM 728 C LYS A 48 -14.029 3.698 4.479 1.00 0.18 C ATOM 729 O LYS A 48 -15.195 3.509 4.198 1.00 0.21 O ATOM 730 CB LYS A 48 -13.005 5.928 4.087 1.00 0.20 C ATOM 731 CG LYS A 48 -14.146 6.379 3.163 1.00 0.30 C ATOM 732 CD LYS A 48 -13.593 7.246 2.033 1.00 0.82 C ATOM 733 CE LYS A 48 -14.736 7.686 1.116 1.00 1.03 C ATOM 734 NZ LYS A 48 -14.192 8.544 0.022 1.00 1.78 N ATOM 0 H LYS A 48 -11.560 4.798 5.879 1.00 0.17 H new ATOM 0 HA LYS A 48 -14.387 5.492 5.651 1.00 0.19 H new ATOM 0 HB2 LYS A 48 -12.542 6.792 4.563 1.00 0.20 H new ATOM 0 HB3 LYS A 48 -12.228 5.429 3.509 1.00 0.20 H new ATOM 0 HG2 LYS A 48 -14.655 5.509 2.749 1.00 0.30 H new ATOM 0 HG3 LYS A 48 -14.887 6.940 3.733 1.00 0.30 H new ATOM 0 HD2 LYS A 48 -13.088 8.119 2.445 1.00 0.82 H new ATOM 0 HD3 LYS A 48 -12.851 6.688 1.463 1.00 0.82 H new ATOM 0 HE2 LYS A 48 -15.235 6.813 0.695 1.00 1.03 H new ATOM 0 HE3 LYS A 48 -15.484 8.236 1.687 1.00 1.03 H new ATOM 0 HZ1 LYS A 48 -14.968 8.844 -0.602 1.00 1.78 H new ATOM 0 HZ2 LYS A 48 -13.735 9.383 0.433 1.00 1.78 H new ATOM 0 HZ3 LYS A 48 -13.494 8.004 -0.528 1.00 1.78 H new ATOM 748 N TYR A 49 -13.105 2.801 4.254 1.00 0.16 N ATOM 749 CA TYR A 49 -13.443 1.483 3.639 1.00 0.17 C ATOM 750 C TYR A 49 -12.989 0.407 4.616 1.00 0.16 C ATOM 751 O TYR A 49 -12.063 -0.341 4.368 1.00 0.16 O ATOM 752 CB TYR A 49 -12.714 1.313 2.300 1.00 0.17 C ATOM 753 CG TYR A 49 -13.215 2.347 1.316 1.00 0.17 C ATOM 754 CD1 TYR A 49 -14.511 2.237 0.791 1.00 0.22 C ATOM 755 CD2 TYR A 49 -12.397 3.416 0.935 1.00 0.19 C ATOM 756 CE1 TYR A 49 -14.984 3.193 -0.113 1.00 0.25 C ATOM 757 CE2 TYR A 49 -12.871 4.373 0.030 1.00 0.20 C ATOM 758 CZ TYR A 49 -14.165 4.262 -0.494 1.00 0.21 C ATOM 759 OH TYR A 49 -14.634 5.207 -1.387 1.00 0.25 O ATOM 0 H TYR A 49 -12.117 2.928 4.473 1.00 0.16 H new ATOM 0 HA TYR A 49 -14.513 1.413 3.446 1.00 0.17 H new ATOM 0 HB2 TYR A 49 -11.639 1.423 2.443 1.00 0.17 H new ATOM 0 HB3 TYR A 49 -12.883 0.310 1.907 1.00 0.17 H new ATOM 0 HD1 TYR A 49 -15.144 1.413 1.085 1.00 0.22 H new ATOM 0 HD2 TYR A 49 -11.399 3.503 1.339 1.00 0.19 H new ATOM 0 HE1 TYR A 49 -15.982 3.106 -0.517 1.00 0.25 H new ATOM 0 HE2 TYR A 49 -12.238 5.197 -0.264 1.00 0.20 H new ATOM 0 HH TYR A 49 -13.941 5.882 -1.544 1.00 0.25 H new ATOM 769 N SER A 50 -13.653 0.331 5.734 1.00 0.17 N ATOM 770 CA SER A 50 -13.292 -0.673 6.758 1.00 0.18 C ATOM 771 C SER A 50 -13.514 -2.069 6.179 1.00 0.19 C ATOM 772 O SER A 50 -13.087 -3.062 6.734 1.00 0.21 O ATOM 773 CB SER A 50 -14.175 -0.462 7.983 1.00 0.20 C ATOM 774 OG SER A 50 -15.504 -0.863 7.677 1.00 0.22 O ATOM 0 H SER A 50 -14.440 0.932 5.980 1.00 0.17 H new ATOM 0 HA SER A 50 -12.246 -0.569 7.047 1.00 0.18 H new ATOM 0 HB2 SER A 50 -13.793 -1.039 8.825 1.00 0.20 H new ATOM 0 HB3 SER A 50 -14.158 0.586 8.282 1.00 0.20 H new ATOM 0 HG SER A 50 -16.075 -0.731 8.463 1.00 0.22 H new ATOM 780 N ASN A 51 -14.161 -2.145 5.047 1.00 0.20 N ATOM 781 CA ASN A 51 -14.405 -3.467 4.403 1.00 0.23 C ATOM 782 C ASN A 51 -13.233 -3.774 3.472 1.00 0.19 C ATOM 783 O ASN A 51 -13.260 -4.720 2.711 1.00 0.22 O ATOM 784 CB ASN A 51 -15.705 -3.416 3.594 1.00 0.32 C ATOM 785 CG ASN A 51 -16.087 -4.828 3.131 1.00 0.54 C ATOM 786 OD1 ASN A 51 -16.421 -5.676 3.934 1.00 1.13 O ATOM 787 ND2 ASN A 51 -16.054 -5.110 1.857 1.00 0.27 N ATOM 0 H ASN A 51 -14.533 -1.343 4.538 1.00 0.20 H new ATOM 0 HA ASN A 51 -14.494 -4.243 5.164 1.00 0.23 H new ATOM 0 HB2 ASN A 51 -16.505 -2.994 4.202 1.00 0.32 H new ATOM 0 HB3 ASN A 51 -15.581 -2.762 2.731 1.00 0.32 H new ATOM 0 HD21 ASN A 51 -16.309 -6.044 1.535 1.00 0.27 H new ATOM 0 HD22 ASN A 51 -15.773 -4.397 1.184 1.00 0.27 H new ATOM 794 N VAL A 52 -12.200 -2.968 3.540 1.00 0.21 N ATOM 795 CA VAL A 52 -10.993 -3.181 2.687 1.00 0.17 C ATOM 796 C VAL A 52 -9.761 -3.199 3.592 1.00 0.13 C ATOM 797 O VAL A 52 -9.719 -2.522 4.599 1.00 0.14 O ATOM 798 CB VAL A 52 -10.885 -2.048 1.659 1.00 0.19 C ATOM 799 CG1 VAL A 52 -9.506 -2.078 0.978 1.00 0.19 C ATOM 800 CG2 VAL A 52 -11.980 -2.232 0.605 1.00 0.24 C ATOM 0 H VAL A 52 -12.144 -2.160 4.161 1.00 0.21 H new ATOM 0 HA VAL A 52 -11.067 -4.127 2.151 1.00 0.17 H new ATOM 0 HB VAL A 52 -11.006 -1.089 2.162 1.00 0.19 H new ATOM 0 HG11 VAL A 52 -9.442 -1.269 0.250 1.00 0.19 H new ATOM 0 HG12 VAL A 52 -8.726 -1.953 1.729 1.00 0.19 H new ATOM 0 HG13 VAL A 52 -9.371 -3.033 0.471 1.00 0.19 H new ATOM 0 HG21 VAL A 52 -11.914 -1.432 -0.132 1.00 0.24 H new ATOM 0 HG22 VAL A 52 -11.850 -3.194 0.109 1.00 0.24 H new ATOM 0 HG23 VAL A 52 -12.957 -2.201 1.087 1.00 0.24 H new ATOM 810 N ILE A 53 -8.765 -3.984 3.264 1.00 0.11 N ATOM 811 CA ILE A 53 -7.552 -4.049 4.142 1.00 0.09 C ATOM 812 C ILE A 53 -6.444 -3.177 3.546 1.00 0.09 C ATOM 813 O ILE A 53 -6.022 -3.379 2.426 1.00 0.12 O ATOM 814 CB ILE A 53 -7.056 -5.499 4.207 1.00 0.11 C ATOM 815 CG1 ILE A 53 -8.222 -6.433 4.545 1.00 0.13 C ATOM 816 CG2 ILE A 53 -5.981 -5.630 5.290 1.00 0.13 C ATOM 817 CD1 ILE A 53 -8.961 -5.937 5.794 1.00 0.15 C ATOM 0 H ILE A 53 -8.737 -4.578 2.435 1.00 0.11 H new ATOM 0 HA ILE A 53 -7.807 -3.693 5.140 1.00 0.09 H new ATOM 0 HB ILE A 53 -6.637 -5.772 3.238 1.00 0.11 H new ATOM 0 HG12 ILE A 53 -8.912 -6.483 3.703 1.00 0.13 H new ATOM 0 HG13 ILE A 53 -7.850 -7.444 4.713 1.00 0.13 H new ATOM 0 HG21 ILE A 53 -5.631 -6.662 5.333 1.00 0.13 H new ATOM 0 HG22 ILE A 53 -5.144 -4.973 5.053 1.00 0.13 H new ATOM 0 HG23 ILE A 53 -6.401 -5.349 6.256 1.00 0.13 H new ATOM 0 HD11 ILE A 53 -9.787 -6.612 6.020 1.00 0.15 H new ATOM 0 HD12 ILE A 53 -8.272 -5.911 6.638 1.00 0.15 H new ATOM 0 HD13 ILE A 53 -9.351 -4.935 5.612 1.00 0.15 H new ATOM 829 N PHE A 54 -5.959 -2.214 4.293 1.00 0.08 N ATOM 830 CA PHE A 54 -4.861 -1.331 3.776 1.00 0.09 C ATOM 831 C PHE A 54 -3.535 -1.748 4.420 1.00 0.09 C ATOM 832 O PHE A 54 -3.428 -1.841 5.628 1.00 0.12 O ATOM 833 CB PHE A 54 -5.147 0.128 4.151 1.00 0.10 C ATOM 834 CG PHE A 54 -6.348 0.641 3.390 1.00 0.09 C ATOM 835 CD1 PHE A 54 -7.636 0.240 3.759 1.00 0.09 C ATOM 836 CD2 PHE A 54 -6.174 1.538 2.324 1.00 0.10 C ATOM 837 CE1 PHE A 54 -8.748 0.730 3.063 1.00 0.10 C ATOM 838 CE2 PHE A 54 -7.289 2.023 1.627 1.00 0.11 C ATOM 839 CZ PHE A 54 -8.575 1.620 1.998 1.00 0.10 C ATOM 0 H PHE A 54 -6.275 -2.000 5.239 1.00 0.08 H new ATOM 0 HA PHE A 54 -4.805 -1.429 2.692 1.00 0.09 H new ATOM 0 HB2 PHE A 54 -5.327 0.206 5.223 1.00 0.10 H new ATOM 0 HB3 PHE A 54 -4.276 0.745 3.928 1.00 0.10 H new ATOM 0 HD1 PHE A 54 -7.773 -0.447 4.581 1.00 0.09 H new ATOM 0 HD2 PHE A 54 -5.181 1.854 2.041 1.00 0.10 H new ATOM 0 HE1 PHE A 54 -9.742 0.420 3.349 1.00 0.10 H new ATOM 0 HE2 PHE A 54 -7.155 2.708 0.803 1.00 0.11 H new ATOM 0 HZ PHE A 54 -9.434 1.996 1.463 1.00 0.10 H new ATOM 849 N LEU A 55 -2.516 -1.990 3.624 1.00 0.09 N ATOM 850 CA LEU A 55 -1.178 -2.387 4.184 1.00 0.11 C ATOM 851 C LEU A 55 -0.186 -1.262 3.949 1.00 0.10 C ATOM 852 O LEU A 55 -0.147 -0.659 2.892 1.00 0.10 O ATOM 853 CB LEU A 55 -0.617 -3.655 3.495 1.00 0.12 C ATOM 854 CG LEU A 55 -1.359 -4.934 3.921 1.00 0.15 C ATOM 855 CD1 LEU A 55 -2.870 -4.734 3.896 1.00 0.20 C ATOM 856 CD2 LEU A 55 -0.969 -6.077 2.977 1.00 0.22 C ATOM 0 H LEU A 55 -2.553 -1.930 2.606 1.00 0.09 H new ATOM 0 HA LEU A 55 -1.316 -2.590 5.246 1.00 0.11 H new ATOM 0 HB2 LEU A 55 -0.690 -3.539 2.414 1.00 0.12 H new ATOM 0 HB3 LEU A 55 0.442 -3.756 3.734 1.00 0.12 H new ATOM 0 HG LEU A 55 -1.072 -5.178 4.944 1.00 0.15 H new ATOM 0 HD11 LEU A 55 -3.364 -5.656 4.202 1.00 0.20 H new ATOM 0 HD12 LEU A 55 -3.142 -3.932 4.582 1.00 0.20 H new ATOM 0 HD13 LEU A 55 -3.186 -4.471 2.886 1.00 0.20 H new ATOM 0 HD21 LEU A 55 -1.491 -6.987 3.273 1.00 0.22 H new ATOM 0 HD22 LEU A 55 -1.245 -5.816 1.956 1.00 0.22 H new ATOM 0 HD23 LEU A 55 0.107 -6.242 3.031 1.00 0.22 H new ATOM 868 N GLU A 56 0.644 -1.008 4.918 1.00 0.12 N ATOM 869 CA GLU A 56 1.688 0.044 4.783 1.00 0.13 C ATOM 870 C GLU A 56 3.029 -0.669 4.749 1.00 0.13 C ATOM 871 O GLU A 56 3.298 -1.529 5.566 1.00 0.14 O ATOM 872 CB GLU A 56 1.618 1.001 5.972 1.00 0.15 C ATOM 873 CG GLU A 56 2.537 2.196 5.715 1.00 0.17 C ATOM 874 CD GLU A 56 2.530 3.118 6.936 1.00 0.20 C ATOM 875 OE1 GLU A 56 1.622 2.995 7.744 1.00 1.13 O ATOM 876 OE2 GLU A 56 3.427 3.939 7.040 1.00 1.05 O ATOM 0 H GLU A 56 0.644 -1.494 5.815 1.00 0.12 H new ATOM 0 HA GLU A 56 1.543 0.632 3.877 1.00 0.13 H new ATOM 0 HB2 GLU A 56 0.593 1.341 6.120 1.00 0.15 H new ATOM 0 HB3 GLU A 56 1.918 0.487 6.885 1.00 0.15 H new ATOM 0 HG2 GLU A 56 3.551 1.851 5.512 1.00 0.17 H new ATOM 0 HG3 GLU A 56 2.203 2.742 4.832 1.00 0.17 H new ATOM 883 N VAL A 57 3.855 -0.358 3.784 1.00 0.12 N ATOM 884 CA VAL A 57 5.175 -1.058 3.662 1.00 0.12 C ATOM 885 C VAL A 57 6.322 -0.048 3.584 1.00 0.11 C ATOM 886 O VAL A 57 6.233 0.962 2.915 1.00 0.13 O ATOM 887 CB VAL A 57 5.162 -1.897 2.387 1.00 0.12 C ATOM 888 CG1 VAL A 57 6.458 -2.692 2.286 1.00 0.15 C ATOM 889 CG2 VAL A 57 3.986 -2.865 2.436 1.00 0.14 C ATOM 0 H VAL A 57 3.675 0.351 3.073 1.00 0.12 H new ATOM 0 HA VAL A 57 5.327 -1.687 4.539 1.00 0.12 H new ATOM 0 HB VAL A 57 5.068 -1.241 1.522 1.00 0.12 H new ATOM 0 HG11 VAL A 57 6.448 -3.291 1.375 1.00 0.15 H new ATOM 0 HG12 VAL A 57 7.305 -2.006 2.260 1.00 0.15 H new ATOM 0 HG13 VAL A 57 6.550 -3.349 3.151 1.00 0.15 H new ATOM 0 HG21 VAL A 57 3.972 -3.467 1.527 1.00 0.14 H new ATOM 0 HG22 VAL A 57 4.088 -3.518 3.302 1.00 0.14 H new ATOM 0 HG23 VAL A 57 3.055 -2.303 2.513 1.00 0.14 H new ATOM 899 N ASP A 58 7.406 -0.335 4.255 1.00 0.10 N ATOM 900 CA ASP A 58 8.591 0.572 4.227 1.00 0.09 C ATOM 901 C ASP A 58 9.605 0.018 3.228 1.00 0.09 C ATOM 902 O ASP A 58 10.124 -1.064 3.409 1.00 0.09 O ATOM 903 CB ASP A 58 9.233 0.588 5.611 1.00 0.10 C ATOM 904 CG ASP A 58 10.292 1.693 5.674 1.00 0.11 C ATOM 905 OD1 ASP A 58 10.641 2.212 4.625 1.00 1.05 O ATOM 906 OD2 ASP A 58 10.733 2.003 6.767 1.00 1.02 O ATOM 0 H ASP A 58 7.522 -1.170 4.829 1.00 0.10 H new ATOM 0 HA ASP A 58 8.286 1.579 3.942 1.00 0.09 H new ATOM 0 HB2 ASP A 58 8.473 0.755 6.374 1.00 0.10 H new ATOM 0 HB3 ASP A 58 9.689 -0.379 5.823 1.00 0.10 H new ATOM 911 N VAL A 59 9.930 0.736 2.193 1.00 0.09 N ATOM 912 CA VAL A 59 10.934 0.190 1.241 1.00 0.10 C ATOM 913 C VAL A 59 12.288 0.140 1.938 1.00 0.11 C ATOM 914 O VAL A 59 13.200 -0.537 1.505 1.00 0.12 O ATOM 915 CB VAL A 59 11.034 1.079 0.001 1.00 0.12 C ATOM 916 CG1 VAL A 59 9.721 1.003 -0.777 1.00 0.14 C ATOM 917 CG2 VAL A 59 11.301 2.531 0.412 1.00 0.16 C ATOM 0 H VAL A 59 9.554 1.657 1.967 1.00 0.09 H new ATOM 0 HA VAL A 59 10.630 -0.809 0.928 1.00 0.10 H new ATOM 0 HB VAL A 59 11.857 0.732 -0.624 1.00 0.12 H new ATOM 0 HG11 VAL A 59 9.786 1.635 -1.663 1.00 0.14 H new ATOM 0 HG12 VAL A 59 9.536 -0.028 -1.079 1.00 0.14 H new ATOM 0 HG13 VAL A 59 8.903 1.348 -0.145 1.00 0.14 H new ATOM 0 HG21 VAL A 59 11.370 3.155 -0.479 1.00 0.16 H new ATOM 0 HG22 VAL A 59 10.485 2.887 1.041 1.00 0.16 H new ATOM 0 HG23 VAL A 59 12.238 2.586 0.967 1.00 0.16 H new ATOM 927 N ASP A 60 12.433 0.878 3.010 1.00 0.10 N ATOM 928 CA ASP A 60 13.739 0.897 3.738 1.00 0.12 C ATOM 929 C ASP A 60 13.775 -0.153 4.863 1.00 0.13 C ATOM 930 O ASP A 60 14.761 -0.845 5.025 1.00 0.15 O ATOM 931 CB ASP A 60 13.944 2.295 4.328 1.00 0.14 C ATOM 932 CG ASP A 60 14.452 3.250 3.238 1.00 0.16 C ATOM 933 OD1 ASP A 60 13.635 3.731 2.472 1.00 1.07 O ATOM 934 OD2 ASP A 60 15.649 3.484 3.194 1.00 1.08 O ATOM 0 H ASP A 60 11.704 1.468 3.412 1.00 0.10 H new ATOM 0 HA ASP A 60 14.537 0.654 3.037 1.00 0.12 H new ATOM 0 HB2 ASP A 60 13.006 2.666 4.742 1.00 0.14 H new ATOM 0 HB3 ASP A 60 14.660 2.252 5.149 1.00 0.14 H new ATOM 939 N ASP A 61 12.722 -0.295 5.634 1.00 0.13 N ATOM 940 CA ASP A 61 12.736 -1.319 6.738 1.00 0.15 C ATOM 941 C ASP A 61 12.078 -2.597 6.228 1.00 0.14 C ATOM 942 O ASP A 61 12.223 -3.658 6.802 1.00 0.19 O ATOM 943 CB ASP A 61 11.958 -0.807 7.959 1.00 0.16 C ATOM 944 CG ASP A 61 12.620 0.461 8.504 1.00 0.19 C ATOM 945 OD1 ASP A 61 13.829 0.577 8.381 1.00 1.07 O ATOM 946 OD2 ASP A 61 11.908 1.293 9.041 1.00 1.01 O ATOM 0 H ASP A 61 11.861 0.245 5.551 1.00 0.13 H new ATOM 0 HA ASP A 61 13.767 -1.510 7.035 1.00 0.15 H new ATOM 0 HB2 ASP A 61 10.925 -0.598 7.681 1.00 0.16 H new ATOM 0 HB3 ASP A 61 11.931 -1.575 8.732 1.00 0.16 H new ATOM 951 N ALA A 62 11.352 -2.494 5.145 1.00 0.11 N ATOM 952 CA ALA A 62 10.669 -3.682 4.552 1.00 0.12 C ATOM 953 C ALA A 62 11.168 -3.833 3.111 1.00 0.11 C ATOM 954 O ALA A 62 10.425 -4.160 2.206 1.00 0.12 O ATOM 955 CB ALA A 62 9.144 -3.469 4.585 1.00 0.14 C ATOM 0 H ALA A 62 11.201 -1.622 4.638 1.00 0.11 H new ATOM 0 HA ALA A 62 10.893 -4.587 5.117 1.00 0.12 H new ATOM 0 HB1 ALA A 62 8.646 -4.337 4.152 1.00 0.14 H new ATOM 0 HB2 ALA A 62 8.817 -3.340 5.617 1.00 0.14 H new ATOM 0 HB3 ALA A 62 8.888 -2.579 4.010 1.00 0.14 H new ATOM 961 N GLN A 63 12.431 -3.568 2.901 1.00 0.11 N ATOM 962 CA GLN A 63 13.015 -3.654 1.529 1.00 0.12 C ATOM 963 C GLN A 63 12.863 -5.069 0.981 1.00 0.12 C ATOM 964 O GLN A 63 12.919 -5.288 -0.211 1.00 0.14 O ATOM 965 CB GLN A 63 14.502 -3.277 1.586 1.00 0.13 C ATOM 966 CG GLN A 63 15.285 -4.359 2.336 1.00 0.15 C ATOM 967 CD GLN A 63 16.709 -3.871 2.603 1.00 0.77 C ATOM 968 OE1 GLN A 63 16.907 -2.766 3.068 1.00 1.47 O ATOM 969 NE2 GLN A 63 17.712 -4.654 2.323 1.00 1.43 N ATOM 0 H GLN A 63 13.090 -3.293 3.629 1.00 0.11 H new ATOM 0 HA GLN A 63 12.487 -2.964 0.870 1.00 0.12 H new ATOM 0 HB2 GLN A 63 14.897 -3.164 0.576 1.00 0.13 H new ATOM 0 HB3 GLN A 63 14.624 -2.316 2.085 1.00 0.13 H new ATOM 0 HG2 GLN A 63 14.788 -4.595 3.277 1.00 0.15 H new ATOM 0 HG3 GLN A 63 15.309 -5.277 1.749 1.00 0.15 H new ATOM 0 HE21 GLN A 63 17.542 -5.581 1.933 1.00 1.43 H new ATOM 0 HE22 GLN A 63 18.667 -4.340 2.494 1.00 1.43 H new ATOM 978 N ASP A 64 12.671 -6.033 1.829 1.00 0.13 N ATOM 979 CA ASP A 64 12.508 -7.418 1.331 1.00 0.13 C ATOM 980 C ASP A 64 11.198 -7.500 0.549 1.00 0.15 C ATOM 981 O ASP A 64 11.101 -8.177 -0.455 1.00 0.16 O ATOM 982 CB ASP A 64 12.483 -8.389 2.516 1.00 0.17 C ATOM 983 CG ASP A 64 11.483 -7.909 3.563 1.00 0.21 C ATOM 984 OD1 ASP A 64 10.326 -7.782 3.223 1.00 1.05 O ATOM 985 OD2 ASP A 64 11.892 -7.693 4.692 1.00 1.02 O ATOM 0 H ASP A 64 12.620 -5.922 2.842 1.00 0.13 H new ATOM 0 HA ASP A 64 13.340 -7.688 0.680 1.00 0.13 H new ATOM 0 HB2 ASP A 64 12.212 -9.387 2.173 1.00 0.17 H new ATOM 0 HB3 ASP A 64 13.477 -8.463 2.957 1.00 0.17 H new ATOM 990 N VAL A 65 10.188 -6.799 1.000 1.00 0.17 N ATOM 991 CA VAL A 65 8.883 -6.825 0.284 1.00 0.22 C ATOM 992 C VAL A 65 8.996 -6.036 -1.030 1.00 0.22 C ATOM 993 O VAL A 65 8.540 -6.469 -2.072 1.00 0.26 O ATOM 994 CB VAL A 65 7.811 -6.157 1.158 1.00 0.26 C ATOM 995 CG1 VAL A 65 6.430 -6.435 0.568 1.00 0.35 C ATOM 996 CG2 VAL A 65 7.884 -6.693 2.595 1.00 0.32 C ATOM 0 H VAL A 65 10.214 -6.211 1.833 1.00 0.17 H new ATOM 0 HA VAL A 65 8.613 -7.860 0.075 1.00 0.22 H new ATOM 0 HB VAL A 65 7.988 -5.082 1.180 1.00 0.26 H new ATOM 0 HG11 VAL A 65 5.668 -5.962 1.187 1.00 0.35 H new ATOM 0 HG12 VAL A 65 6.378 -6.031 -0.443 1.00 0.35 H new ATOM 0 HG13 VAL A 65 6.257 -7.511 0.538 1.00 0.35 H new ATOM 0 HG21 VAL A 65 7.118 -6.211 3.203 1.00 0.32 H new ATOM 0 HG22 VAL A 65 7.718 -7.770 2.590 1.00 0.32 H new ATOM 0 HG23 VAL A 65 8.867 -6.479 3.014 1.00 0.32 H new ATOM 1006 N ALA A 66 9.588 -4.871 -0.974 1.00 0.19 N ATOM 1007 CA ALA A 66 9.724 -4.022 -2.196 1.00 0.22 C ATOM 1008 C ALA A 66 10.755 -4.607 -3.170 1.00 0.23 C ATOM 1009 O ALA A 66 10.594 -4.529 -4.372 1.00 0.26 O ATOM 1010 CB ALA A 66 10.154 -2.609 -1.785 1.00 0.25 C ATOM 0 H ALA A 66 9.987 -4.468 -0.126 1.00 0.19 H new ATOM 0 HA ALA A 66 8.759 -3.991 -2.701 1.00 0.22 H new ATOM 0 HB1 ALA A 66 10.254 -1.986 -2.674 1.00 0.25 H new ATOM 0 HB2 ALA A 66 9.403 -2.178 -1.123 1.00 0.25 H new ATOM 0 HB3 ALA A 66 11.111 -2.657 -1.265 1.00 0.25 H new ATOM 1016 N SER A 67 11.817 -5.180 -2.675 1.00 0.21 N ATOM 1017 CA SER A 67 12.842 -5.737 -3.605 1.00 0.23 C ATOM 1018 C SER A 67 12.199 -6.819 -4.471 1.00 0.23 C ATOM 1019 O SER A 67 12.495 -6.949 -5.645 1.00 0.24 O ATOM 1020 CB SER A 67 13.989 -6.349 -2.796 1.00 0.23 C ATOM 1021 OG SER A 67 13.492 -7.436 -2.028 1.00 0.22 O ATOM 0 H SER A 67 12.019 -5.287 -1.681 1.00 0.21 H new ATOM 0 HA SER A 67 13.231 -4.940 -4.239 1.00 0.23 H new ATOM 0 HB2 SER A 67 14.779 -6.692 -3.464 1.00 0.23 H new ATOM 0 HB3 SER A 67 14.430 -5.597 -2.141 1.00 0.23 H new ATOM 0 HG SER A 67 12.641 -7.182 -1.613 1.00 0.22 H new ATOM 1027 N GLU A 68 11.309 -7.585 -3.904 1.00 0.23 N ATOM 1028 CA GLU A 68 10.627 -8.656 -4.683 1.00 0.25 C ATOM 1029 C GLU A 68 9.799 -8.020 -5.804 1.00 0.22 C ATOM 1030 O GLU A 68 9.666 -8.571 -6.879 1.00 0.24 O ATOM 1031 CB GLU A 68 9.712 -9.459 -3.750 1.00 0.29 C ATOM 1032 CG GLU A 68 9.190 -10.711 -4.468 1.00 0.32 C ATOM 1033 CD GLU A 68 8.111 -10.326 -5.484 1.00 1.27 C ATOM 1034 OE1 GLU A 68 7.473 -9.304 -5.287 1.00 1.96 O ATOM 1035 OE2 GLU A 68 7.935 -11.067 -6.438 1.00 2.06 O ATOM 0 H GLU A 68 11.023 -7.514 -2.927 1.00 0.23 H new ATOM 0 HA GLU A 68 11.370 -9.324 -5.120 1.00 0.25 H new ATOM 0 HB2 GLU A 68 10.259 -9.747 -2.852 1.00 0.29 H new ATOM 0 HB3 GLU A 68 8.875 -8.840 -3.428 1.00 0.29 H new ATOM 0 HG2 GLU A 68 10.012 -11.218 -4.974 1.00 0.32 H new ATOM 0 HG3 GLU A 68 8.781 -11.413 -3.741 1.00 0.32 H new ATOM 1042 N ALA A 69 9.222 -6.874 -5.550 1.00 0.20 N ATOM 1043 CA ALA A 69 8.384 -6.207 -6.587 1.00 0.20 C ATOM 1044 C ALA A 69 9.246 -5.325 -7.498 1.00 0.19 C ATOM 1045 O ALA A 69 8.745 -4.711 -8.420 1.00 0.20 O ATOM 1046 CB ALA A 69 7.325 -5.347 -5.900 1.00 0.23 C ATOM 0 H ALA A 69 9.296 -6.371 -4.666 1.00 0.20 H new ATOM 0 HA ALA A 69 7.906 -6.973 -7.198 1.00 0.20 H new ATOM 0 HB1 ALA A 69 6.709 -4.857 -6.654 1.00 0.23 H new ATOM 0 HB2 ALA A 69 6.696 -5.977 -5.272 1.00 0.23 H new ATOM 0 HB3 ALA A 69 7.813 -4.592 -5.283 1.00 0.23 H new ATOM 1052 N GLU A 70 10.528 -5.250 -7.251 1.00 0.18 N ATOM 1053 CA GLU A 70 11.406 -4.404 -8.116 1.00 0.18 C ATOM 1054 C GLU A 70 10.866 -2.979 -8.165 1.00 0.17 C ATOM 1055 O GLU A 70 10.710 -2.405 -9.224 1.00 0.18 O ATOM 1056 CB GLU A 70 11.456 -4.966 -9.541 1.00 0.22 C ATOM 1057 CG GLU A 70 12.205 -6.296 -9.549 1.00 0.24 C ATOM 1058 CD GLU A 70 11.328 -7.391 -8.936 1.00 1.24 C ATOM 1059 OE1 GLU A 70 10.117 -7.268 -9.013 1.00 2.02 O ATOM 1060 OE2 GLU A 70 11.883 -8.339 -8.406 1.00 2.02 O ATOM 0 H GLU A 70 11.004 -5.736 -6.491 1.00 0.18 H new ATOM 0 HA GLU A 70 12.410 -4.406 -7.692 1.00 0.18 H new ATOM 0 HB2 GLU A 70 10.444 -5.106 -9.922 1.00 0.22 H new ATOM 0 HB3 GLU A 70 11.951 -4.256 -10.204 1.00 0.22 H new ATOM 0 HG2 GLU A 70 12.477 -6.564 -10.570 1.00 0.24 H new ATOM 0 HG3 GLU A 70 13.134 -6.204 -8.986 1.00 0.24 H new ATOM 1067 N VAL A 71 10.580 -2.393 -7.038 1.00 0.15 N ATOM 1068 CA VAL A 71 10.041 -1.008 -7.062 1.00 0.14 C ATOM 1069 C VAL A 71 11.129 -0.072 -7.583 1.00 0.14 C ATOM 1070 O VAL A 71 12.282 -0.173 -7.213 1.00 0.16 O ATOM 1071 CB VAL A 71 9.634 -0.576 -5.650 1.00 0.13 C ATOM 1072 CG1 VAL A 71 8.929 0.783 -5.724 1.00 0.14 C ATOM 1073 CG2 VAL A 71 8.679 -1.615 -5.046 1.00 0.15 C ATOM 0 H VAL A 71 10.694 -2.807 -6.113 1.00 0.15 H new ATOM 0 HA VAL A 71 9.164 -0.968 -7.708 1.00 0.14 H new ATOM 0 HB VAL A 71 10.522 -0.497 -5.023 1.00 0.13 H new ATOM 0 HG11 VAL A 71 8.637 1.096 -4.722 1.00 0.14 H new ATOM 0 HG12 VAL A 71 9.607 1.522 -6.152 1.00 0.14 H new ATOM 0 HG13 VAL A 71 8.041 0.699 -6.351 1.00 0.14 H new ATOM 0 HG21 VAL A 71 8.392 -1.304 -4.041 1.00 0.15 H new ATOM 0 HG22 VAL A 71 7.789 -1.696 -5.669 1.00 0.15 H new ATOM 0 HG23 VAL A 71 9.178 -2.583 -4.998 1.00 0.15 H new ATOM 1083 N LYS A 72 10.765 0.826 -8.463 1.00 0.15 N ATOM 1084 CA LYS A 72 11.755 1.774 -9.042 1.00 0.16 C ATOM 1085 C LYS A 72 11.531 3.174 -8.467 1.00 0.15 C ATOM 1086 O LYS A 72 12.379 4.037 -8.578 1.00 0.16 O ATOM 1087 CB LYS A 72 11.578 1.807 -10.564 1.00 0.19 C ATOM 1088 CG LYS A 72 11.845 0.411 -11.165 1.00 0.23 C ATOM 1089 CD LYS A 72 13.357 0.169 -11.285 1.00 0.74 C ATOM 1090 CE LYS A 72 13.616 -1.092 -12.111 1.00 0.88 C ATOM 1091 NZ LYS A 72 13.064 -2.276 -11.397 1.00 1.60 N ATOM 0 H LYS A 72 9.812 0.941 -8.807 1.00 0.15 H new ATOM 0 HA LYS A 72 12.765 1.448 -8.794 1.00 0.16 H new ATOM 0 HB2 LYS A 72 10.567 2.130 -10.812 1.00 0.19 H new ATOM 0 HB3 LYS A 72 12.262 2.535 -11.001 1.00 0.19 H new ATOM 0 HG2 LYS A 72 11.395 -0.357 -10.536 1.00 0.23 H new ATOM 0 HG3 LYS A 72 11.377 0.333 -12.146 1.00 0.23 H new ATOM 0 HD2 LYS A 72 13.836 1.028 -11.756 1.00 0.74 H new ATOM 0 HD3 LYS A 72 13.797 0.062 -10.294 1.00 0.74 H new ATOM 0 HE2 LYS A 72 13.153 -0.998 -13.093 1.00 0.88 H new ATOM 0 HE3 LYS A 72 14.686 -1.219 -12.274 1.00 0.88 H new ATOM 0 HZ1 LYS A 72 13.412 -3.146 -11.848 1.00 1.60 H new ATOM 0 HZ2 LYS A 72 13.369 -2.255 -10.403 1.00 1.60 H new ATOM 0 HZ3 LYS A 72 12.025 -2.255 -11.441 1.00 1.60 H new ATOM 1105 N ALA A 73 10.402 3.417 -7.854 1.00 0.13 N ATOM 1106 CA ALA A 73 10.161 4.777 -7.293 1.00 0.13 C ATOM 1107 C ALA A 73 9.059 4.754 -6.231 1.00 0.11 C ATOM 1108 O ALA A 73 8.179 3.918 -6.247 1.00 0.12 O ATOM 1109 CB ALA A 73 9.740 5.706 -8.427 1.00 0.14 C ATOM 0 H ALA A 73 9.648 2.744 -7.719 1.00 0.13 H new ATOM 0 HA ALA A 73 11.080 5.128 -6.824 1.00 0.13 H new ATOM 0 HB1 ALA A 73 9.560 6.705 -8.031 1.00 0.14 H new ATOM 0 HB2 ALA A 73 10.532 5.749 -9.175 1.00 0.14 H new ATOM 0 HB3 ALA A 73 8.827 5.328 -8.887 1.00 0.14 H new ATOM 1115 N THR A 74 9.094 5.701 -5.324 1.00 0.11 N ATOM 1116 CA THR A 74 8.047 5.787 -4.258 1.00 0.11 C ATOM 1117 C THR A 74 7.423 7.190 -4.319 1.00 0.12 C ATOM 1118 O THR A 74 8.074 8.119 -4.747 1.00 0.15 O ATOM 1119 CB THR A 74 8.728 5.594 -2.889 1.00 0.12 C ATOM 1120 OG1 THR A 74 9.525 6.725 -2.598 1.00 0.15 O ATOM 1121 CG2 THR A 74 9.617 4.357 -2.923 1.00 0.14 C ATOM 0 H THR A 74 9.811 6.425 -5.277 1.00 0.11 H new ATOM 0 HA THR A 74 7.280 5.025 -4.400 1.00 0.11 H new ATOM 0 HB THR A 74 7.962 5.471 -2.123 1.00 0.12 H new ATOM 0 HG1 THR A 74 9.958 6.605 -1.727 1.00 0.15 H new ATOM 0 HG21 THR A 74 10.096 4.226 -1.952 1.00 0.14 H new ATOM 0 HG22 THR A 74 9.011 3.480 -3.150 1.00 0.14 H new ATOM 0 HG23 THR A 74 10.381 4.479 -3.691 1.00 0.14 H new ATOM 1129 N PRO A 75 6.204 7.376 -3.853 1.00 0.13 N ATOM 1130 CA PRO A 75 5.345 6.279 -3.312 1.00 0.10 C ATOM 1131 C PRO A 75 4.713 5.414 -4.411 1.00 0.09 C ATOM 1132 O PRO A 75 4.264 5.914 -5.426 1.00 0.10 O ATOM 1133 CB PRO A 75 4.274 7.076 -2.543 1.00 0.12 C ATOM 1134 CG PRO A 75 4.272 8.512 -3.091 1.00 0.15 C ATOM 1135 CD PRO A 75 5.599 8.739 -3.836 1.00 0.16 C ATOM 0 HA PRO A 75 5.900 5.561 -2.708 1.00 0.10 H new ATOM 0 HB2 PRO A 75 3.293 6.618 -2.669 1.00 0.12 H new ATOM 0 HB3 PRO A 75 4.491 7.075 -1.475 1.00 0.12 H new ATOM 0 HG2 PRO A 75 3.427 8.662 -3.763 1.00 0.15 H new ATOM 0 HG3 PRO A 75 4.164 9.230 -2.278 1.00 0.15 H new ATOM 0 HD2 PRO A 75 5.437 9.123 -4.843 1.00 0.16 H new ATOM 0 HD3 PRO A 75 6.235 9.458 -3.320 1.00 0.16 H new ATOM 1143 N THR A 76 4.632 4.122 -4.190 1.00 0.09 N ATOM 1144 CA THR A 76 3.985 3.211 -5.189 1.00 0.09 C ATOM 1145 C THR A 76 2.904 2.411 -4.487 1.00 0.10 C ATOM 1146 O THR A 76 3.116 1.837 -3.434 1.00 0.12 O ATOM 1147 CB THR A 76 5.003 2.249 -5.803 1.00 0.10 C ATOM 1148 OG1 THR A 76 6.022 2.995 -6.449 1.00 0.11 O ATOM 1149 CG2 THR A 76 4.302 1.344 -6.829 1.00 0.13 C ATOM 0 H THR A 76 4.989 3.657 -3.355 1.00 0.09 H new ATOM 0 HA THR A 76 3.561 3.815 -5.991 1.00 0.09 H new ATOM 0 HB THR A 76 5.442 1.633 -5.018 1.00 0.10 H new ATOM 0 HG1 THR A 76 6.791 3.086 -5.849 1.00 0.11 H new ATOM 0 HG21 THR A 76 5.028 0.659 -7.266 1.00 0.13 H new ATOM 0 HG22 THR A 76 3.517 0.773 -6.334 1.00 0.13 H new ATOM 0 HG23 THR A 76 3.863 1.958 -7.616 1.00 0.13 H new ATOM 1157 N PHE A 77 1.743 2.381 -5.060 1.00 0.10 N ATOM 1158 CA PHE A 77 0.612 1.629 -4.454 1.00 0.10 C ATOM 1159 C PHE A 77 0.337 0.394 -5.299 1.00 0.10 C ATOM 1160 O PHE A 77 0.221 0.466 -6.509 1.00 0.10 O ATOM 1161 CB PHE A 77 -0.629 2.520 -4.433 1.00 0.13 C ATOM 1162 CG PHE A 77 -0.349 3.742 -3.588 1.00 0.14 C ATOM 1163 CD1 PHE A 77 -0.501 3.688 -2.195 1.00 0.18 C ATOM 1164 CD2 PHE A 77 0.061 4.932 -4.202 1.00 0.14 C ATOM 1165 CE1 PHE A 77 -0.245 4.828 -1.418 1.00 0.20 C ATOM 1166 CE2 PHE A 77 0.318 6.071 -3.425 1.00 0.16 C ATOM 1167 CZ PHE A 77 0.165 6.018 -2.033 1.00 0.19 C ATOM 0 H PHE A 77 1.522 2.852 -5.937 1.00 0.10 H new ATOM 0 HA PHE A 77 0.862 1.332 -3.435 1.00 0.10 H new ATOM 0 HB2 PHE A 77 -0.895 2.818 -5.447 1.00 0.13 H new ATOM 0 HB3 PHE A 77 -1.479 1.971 -4.029 1.00 0.13 H new ATOM 0 HD1 PHE A 77 -0.815 2.770 -1.721 1.00 0.18 H new ATOM 0 HD2 PHE A 77 0.179 4.973 -5.275 1.00 0.14 H new ATOM 0 HE1 PHE A 77 -0.364 4.788 -0.345 1.00 0.20 H new ATOM 0 HE2 PHE A 77 0.634 6.989 -3.899 1.00 0.16 H new ATOM 0 HZ PHE A 77 0.363 6.895 -1.434 1.00 0.19 H new ATOM 1177 N GLN A 78 0.222 -0.743 -4.667 1.00 0.09 N ATOM 1178 CA GLN A 78 -0.051 -2.005 -5.412 1.00 0.09 C ATOM 1179 C GLN A 78 -1.319 -2.621 -4.858 1.00 0.08 C ATOM 1180 O GLN A 78 -1.592 -2.548 -3.675 1.00 0.09 O ATOM 1181 CB GLN A 78 1.112 -2.979 -5.231 1.00 0.09 C ATOM 1182 CG GLN A 78 2.337 -2.455 -5.983 1.00 0.12 C ATOM 1183 CD GLN A 78 3.442 -3.508 -5.951 1.00 0.15 C ATOM 1184 OE1 GLN A 78 3.170 -4.684 -5.811 1.00 0.27 O ATOM 1185 NE2 GLN A 78 4.686 -3.136 -6.069 1.00 0.29 N ATOM 0 H GLN A 78 0.306 -0.852 -3.656 1.00 0.09 H new ATOM 0 HA GLN A 78 -0.167 -1.792 -6.475 1.00 0.09 H new ATOM 0 HB2 GLN A 78 1.343 -3.093 -4.172 1.00 0.09 H new ATOM 0 HB3 GLN A 78 0.836 -3.965 -5.605 1.00 0.09 H new ATOM 0 HG2 GLN A 78 2.072 -2.222 -7.014 1.00 0.12 H new ATOM 0 HG3 GLN A 78 2.689 -1.529 -5.527 1.00 0.12 H new ATOM 0 HE21 GLN A 78 4.914 -2.149 -6.187 1.00 0.29 H new ATOM 0 HE22 GLN A 78 5.431 -3.832 -6.044 1.00 0.29 H new ATOM 1194 N PHE A 79 -2.103 -3.212 -5.711 1.00 0.07 N ATOM 1195 CA PHE A 79 -3.384 -3.830 -5.264 1.00 0.07 C ATOM 1196 C PHE A 79 -3.300 -5.346 -5.336 1.00 0.07 C ATOM 1197 O PHE A 79 -2.857 -5.908 -6.317 1.00 0.08 O ATOM 1198 CB PHE A 79 -4.505 -3.342 -6.169 1.00 0.08 C ATOM 1199 CG PHE A 79 -4.673 -1.864 -5.949 1.00 0.09 C ATOM 1200 CD1 PHE A 79 -3.788 -0.961 -6.550 1.00 0.08 C ATOM 1201 CD2 PHE A 79 -5.695 -1.396 -5.125 1.00 0.12 C ATOM 1202 CE1 PHE A 79 -3.934 0.410 -6.329 1.00 0.09 C ATOM 1203 CE2 PHE A 79 -5.842 -0.027 -4.900 1.00 0.14 C ATOM 1204 CZ PHE A 79 -4.962 0.879 -5.501 1.00 0.12 C ATOM 0 H PHE A 79 -1.911 -3.296 -6.709 1.00 0.07 H new ATOM 0 HA PHE A 79 -3.579 -3.543 -4.231 1.00 0.07 H new ATOM 0 HB2 PHE A 79 -4.268 -3.547 -7.213 1.00 0.08 H new ATOM 0 HB3 PHE A 79 -5.433 -3.868 -5.944 1.00 0.08 H new ATOM 0 HD1 PHE A 79 -2.993 -1.324 -7.184 1.00 0.08 H new ATOM 0 HD2 PHE A 79 -6.375 -2.095 -4.660 1.00 0.12 H new ATOM 0 HE1 PHE A 79 -3.255 1.108 -6.796 1.00 0.09 H new ATOM 0 HE2 PHE A 79 -6.635 0.333 -4.262 1.00 0.14 H new ATOM 0 HZ PHE A 79 -5.075 1.939 -5.327 1.00 0.12 H new ATOM 1214 N PHE A 80 -3.746 -6.004 -4.299 1.00 0.08 N ATOM 1215 CA PHE A 80 -3.729 -7.494 -4.263 1.00 0.08 C ATOM 1216 C PHE A 80 -5.126 -8.009 -3.930 1.00 0.09 C ATOM 1217 O PHE A 80 -5.880 -7.373 -3.221 1.00 0.12 O ATOM 1218 CB PHE A 80 -2.735 -7.961 -3.198 1.00 0.09 C ATOM 1219 CG PHE A 80 -1.325 -7.706 -3.672 1.00 0.10 C ATOM 1220 CD1 PHE A 80 -0.692 -6.479 -3.410 1.00 0.11 C ATOM 1221 CD2 PHE A 80 -0.640 -8.714 -4.364 1.00 0.12 C ATOM 1222 CE1 PHE A 80 0.623 -6.270 -3.844 1.00 0.13 C ATOM 1223 CE2 PHE A 80 0.675 -8.501 -4.792 1.00 0.14 C ATOM 1224 CZ PHE A 80 1.306 -7.279 -4.531 1.00 0.15 C ATOM 0 H PHE A 80 -4.128 -5.563 -3.462 1.00 0.08 H new ATOM 0 HA PHE A 80 -3.426 -7.884 -5.235 1.00 0.08 H new ATOM 0 HB2 PHE A 80 -2.915 -7.433 -2.262 1.00 0.09 H new ATOM 0 HB3 PHE A 80 -2.875 -9.023 -2.997 1.00 0.09 H new ATOM 0 HD1 PHE A 80 -1.217 -5.701 -2.876 1.00 0.11 H new ATOM 0 HD2 PHE A 80 -1.128 -9.656 -4.567 1.00 0.12 H new ATOM 0 HE1 PHE A 80 1.111 -5.327 -3.648 1.00 0.13 H new ATOM 0 HE2 PHE A 80 1.203 -9.279 -5.323 1.00 0.14 H new ATOM 0 HZ PHE A 80 2.321 -7.115 -4.860 1.00 0.15 H new ATOM 1234 N LYS A 81 -5.480 -9.162 -4.436 1.00 0.09 N ATOM 1235 CA LYS A 81 -6.831 -9.719 -4.150 1.00 0.12 C ATOM 1236 C LYS A 81 -6.712 -11.245 -4.106 1.00 0.11 C ATOM 1237 O LYS A 81 -6.166 -11.857 -4.998 1.00 0.13 O ATOM 1238 CB LYS A 81 -7.783 -9.279 -5.277 1.00 0.17 C ATOM 1239 CG LYS A 81 -9.239 -9.386 -4.819 1.00 0.26 C ATOM 1240 CD LYS A 81 -10.169 -8.993 -5.969 1.00 0.73 C ATOM 1241 CE LYS A 81 -11.595 -8.855 -5.434 1.00 1.02 C ATOM 1242 NZ LYS A 81 -12.508 -8.454 -6.543 1.00 1.68 N ATOM 0 H LYS A 81 -4.890 -9.740 -5.035 1.00 0.09 H new ATOM 0 HA LYS A 81 -7.221 -9.361 -3.197 1.00 0.12 H new ATOM 0 HB2 LYS A 81 -7.562 -8.252 -5.568 1.00 0.17 H new ATOM 0 HB3 LYS A 81 -7.626 -9.901 -6.158 1.00 0.17 H new ATOM 0 HG2 LYS A 81 -9.455 -10.404 -4.495 1.00 0.26 H new ATOM 0 HG3 LYS A 81 -9.410 -8.735 -3.961 1.00 0.26 H new ATOM 0 HD2 LYS A 81 -9.841 -8.053 -6.413 1.00 0.73 H new ATOM 0 HD3 LYS A 81 -10.134 -9.747 -6.756 1.00 0.73 H new ATOM 0 HE2 LYS A 81 -11.925 -9.799 -5.001 1.00 1.02 H new ATOM 0 HE3 LYS A 81 -11.625 -8.111 -4.638 1.00 1.02 H new ATOM 0 HZ1 LYS A 81 -13.477 -8.360 -6.178 1.00 1.68 H new ATOM 0 HZ2 LYS A 81 -12.197 -7.543 -6.937 1.00 1.68 H new ATOM 0 HZ3 LYS A 81 -12.487 -9.179 -7.289 1.00 1.68 H new ATOM 1256 N LYS A 82 -7.179 -11.863 -3.059 1.00 0.12 N ATOM 1257 CA LYS A 82 -7.057 -13.347 -2.964 1.00 0.13 C ATOM 1258 C LYS A 82 -5.578 -13.725 -3.172 1.00 0.13 C ATOM 1259 O LYS A 82 -5.266 -14.762 -3.720 1.00 0.17 O ATOM 1260 CB LYS A 82 -7.932 -14.017 -4.034 1.00 0.16 C ATOM 1261 CG LYS A 82 -9.398 -13.622 -3.820 1.00 0.20 C ATOM 1262 CD LYS A 82 -10.250 -14.144 -4.978 1.00 0.32 C ATOM 1263 CE LYS A 82 -11.695 -13.678 -4.798 1.00 0.31 C ATOM 1264 NZ LYS A 82 -12.493 -14.086 -5.987 1.00 1.22 N ATOM 0 H LYS A 82 -7.638 -11.410 -2.268 1.00 0.12 H new ATOM 0 HA LYS A 82 -7.394 -13.689 -1.986 1.00 0.13 H new ATOM 0 HB2 LYS A 82 -7.604 -13.714 -5.028 1.00 0.16 H new ATOM 0 HB3 LYS A 82 -7.825 -15.100 -3.980 1.00 0.16 H new ATOM 0 HG2 LYS A 82 -9.760 -14.031 -2.877 1.00 0.20 H new ATOM 0 HG3 LYS A 82 -9.486 -12.538 -3.752 1.00 0.20 H new ATOM 0 HD2 LYS A 82 -9.855 -13.781 -5.927 1.00 0.32 H new ATOM 0 HD3 LYS A 82 -10.209 -15.233 -5.012 1.00 0.32 H new ATOM 0 HE2 LYS A 82 -12.120 -14.113 -3.893 1.00 0.31 H new ATOM 0 HE3 LYS A 82 -11.728 -12.595 -4.677 1.00 0.31 H new ATOM 0 HZ1 LYS A 82 -13.477 -13.771 -5.869 1.00 1.22 H new ATOM 0 HZ2 LYS A 82 -12.090 -13.651 -6.841 1.00 1.22 H new ATOM 0 HZ3 LYS A 82 -12.470 -15.121 -6.082 1.00 1.22 H new ATOM 1278 N GLY A 83 -4.668 -12.889 -2.729 1.00 0.13 N ATOM 1279 CA GLY A 83 -3.214 -13.191 -2.895 1.00 0.16 C ATOM 1280 C GLY A 83 -2.792 -12.976 -4.352 1.00 0.16 C ATOM 1281 O GLY A 83 -1.786 -13.503 -4.790 1.00 0.23 O ATOM 0 H GLY A 83 -4.873 -12.008 -2.258 1.00 0.13 H new ATOM 0 HA2 GLY A 83 -2.625 -12.550 -2.240 1.00 0.16 H new ATOM 0 HA3 GLY A 83 -3.013 -14.220 -2.599 1.00 0.16 H new ATOM 1285 N GLN A 84 -3.555 -12.214 -5.113 1.00 0.12 N ATOM 1286 CA GLN A 84 -3.204 -11.976 -6.558 1.00 0.15 C ATOM 1287 C GLN A 84 -3.087 -10.475 -6.858 1.00 0.12 C ATOM 1288 O GLN A 84 -3.939 -9.695 -6.503 1.00 0.13 O ATOM 1289 CB GLN A 84 -4.299 -12.572 -7.455 1.00 0.20 C ATOM 1290 CG GLN A 84 -4.300 -14.101 -7.348 1.00 0.33 C ATOM 1291 CD GLN A 84 -3.083 -14.665 -8.079 1.00 0.97 C ATOM 1292 OE1 GLN A 84 -2.904 -15.865 -8.156 1.00 0.95 O ATOM 1293 NE2 GLN A 84 -2.233 -13.842 -8.626 1.00 2.07 N ATOM 0 H GLN A 84 -4.405 -11.748 -4.795 1.00 0.12 H new ATOM 0 HA GLN A 84 -2.244 -12.452 -6.757 1.00 0.15 H new ATOM 0 HB2 GLN A 84 -5.273 -12.179 -7.162 1.00 0.20 H new ATOM 0 HB3 GLN A 84 -4.133 -12.273 -8.490 1.00 0.20 H new ATOM 0 HG2 GLN A 84 -4.280 -14.403 -6.301 1.00 0.33 H new ATOM 0 HG3 GLN A 84 -5.216 -14.506 -7.779 1.00 0.33 H new ATOM 0 HE21 GLN A 84 -2.384 -12.835 -8.561 1.00 2.07 H new ATOM 0 HE22 GLN A 84 -1.417 -14.205 -9.119 1.00 2.07 H new ATOM 1302 N LYS A 85 -2.048 -10.082 -7.554 1.00 0.12 N ATOM 1303 CA LYS A 85 -1.860 -8.639 -7.917 1.00 0.12 C ATOM 1304 C LYS A 85 -2.776 -8.291 -9.090 1.00 0.14 C ATOM 1305 O LYS A 85 -2.757 -8.946 -10.115 1.00 0.21 O ATOM 1306 CB LYS A 85 -0.396 -8.434 -8.325 1.00 0.17 C ATOM 1307 CG LYS A 85 -0.135 -6.972 -8.695 1.00 0.20 C ATOM 1308 CD LYS A 85 1.295 -6.840 -9.221 1.00 0.28 C ATOM 1309 CE LYS A 85 1.592 -5.378 -9.549 1.00 1.28 C ATOM 1310 NZ LYS A 85 0.640 -4.899 -10.589 1.00 1.82 N ATOM 0 H LYS A 85 -1.314 -10.705 -7.890 1.00 0.12 H new ATOM 0 HA LYS A 85 -2.106 -7.997 -7.071 1.00 0.12 H new ATOM 0 HB2 LYS A 85 0.259 -8.729 -7.506 1.00 0.17 H new ATOM 0 HB3 LYS A 85 -0.156 -9.077 -9.172 1.00 0.17 H new ATOM 0 HG2 LYS A 85 -0.847 -6.642 -9.452 1.00 0.20 H new ATOM 0 HG3 LYS A 85 -0.277 -6.332 -7.824 1.00 0.20 H new ATOM 0 HD2 LYS A 85 2.002 -7.206 -8.476 1.00 0.28 H new ATOM 0 HD3 LYS A 85 1.423 -7.455 -10.111 1.00 0.28 H new ATOM 0 HE2 LYS A 85 1.503 -4.767 -8.651 1.00 1.28 H new ATOM 0 HE3 LYS A 85 2.617 -5.275 -9.904 1.00 1.28 H new ATOM 0 HZ1 LYS A 85 1.079 -4.129 -11.133 1.00 1.82 H new ATOM 0 HZ2 LYS A 85 0.402 -5.683 -11.229 1.00 1.82 H new ATOM 0 HZ3 LYS A 85 -0.227 -4.550 -10.132 1.00 1.82 H new ATOM 1324 N VAL A 86 -3.585 -7.265 -8.942 1.00 0.13 N ATOM 1325 CA VAL A 86 -4.520 -6.862 -10.042 1.00 0.18 C ATOM 1326 C VAL A 86 -4.309 -5.393 -10.434 1.00 0.17 C ATOM 1327 O VAL A 86 -5.035 -4.866 -11.251 1.00 0.22 O ATOM 1328 CB VAL A 86 -5.968 -7.060 -9.586 1.00 0.25 C ATOM 1329 CG1 VAL A 86 -6.231 -8.546 -9.344 1.00 0.30 C ATOM 1330 CG2 VAL A 86 -6.211 -6.292 -8.285 1.00 0.26 C ATOM 0 H VAL A 86 -3.637 -6.688 -8.102 1.00 0.13 H new ATOM 0 HA VAL A 86 -4.314 -7.487 -10.911 1.00 0.18 H new ATOM 0 HB VAL A 86 -6.638 -6.688 -10.361 1.00 0.25 H new ATOM 0 HG11 VAL A 86 -7.262 -8.685 -9.019 1.00 0.30 H new ATOM 0 HG12 VAL A 86 -6.063 -9.100 -10.267 1.00 0.30 H new ATOM 0 HG13 VAL A 86 -5.555 -8.914 -8.572 1.00 0.30 H new ATOM 0 HG21 VAL A 86 -7.243 -6.436 -7.965 1.00 0.26 H new ATOM 0 HG22 VAL A 86 -5.536 -6.662 -7.513 1.00 0.26 H new ATOM 0 HG23 VAL A 86 -6.027 -5.230 -8.449 1.00 0.26 H new ATOM 1340 N GLY A 87 -3.342 -4.715 -9.873 1.00 0.14 N ATOM 1341 CA GLY A 87 -3.161 -3.284 -10.270 1.00 0.17 C ATOM 1342 C GLY A 87 -1.988 -2.640 -9.532 1.00 0.12 C ATOM 1343 O GLY A 87 -1.536 -3.116 -8.508 1.00 0.17 O ATOM 0 H GLY A 87 -2.687 -5.074 -9.178 1.00 0.14 H new ATOM 0 HA2 GLY A 87 -2.993 -3.222 -11.345 1.00 0.17 H new ATOM 0 HA3 GLY A 87 -4.074 -2.728 -10.058 1.00 0.17 H new ATOM 1347 N GLU A 88 -1.497 -1.550 -10.069 1.00 0.11 N ATOM 1348 CA GLU A 88 -0.351 -0.837 -9.441 1.00 0.13 C ATOM 1349 C GLU A 88 -0.167 0.532 -10.098 1.00 0.11 C ATOM 1350 O GLU A 88 -0.391 0.696 -11.283 1.00 0.14 O ATOM 1351 CB GLU A 88 0.908 -1.702 -9.622 1.00 0.21 C ATOM 1352 CG GLU A 88 2.182 -0.932 -9.248 1.00 0.58 C ATOM 1353 CD GLU A 88 2.587 0.013 -10.387 1.00 1.13 C ATOM 1354 OE1 GLU A 88 2.007 -0.091 -11.454 1.00 1.93 O ATOM 1355 OE2 GLU A 88 3.472 0.822 -10.167 1.00 1.87 O ATOM 0 H GLU A 88 -1.848 -1.122 -10.926 1.00 0.11 H new ATOM 0 HA GLU A 88 -0.536 -0.677 -8.379 1.00 0.13 H new ATOM 0 HB2 GLU A 88 0.828 -2.596 -9.003 1.00 0.21 H new ATOM 0 HB3 GLU A 88 0.975 -2.036 -10.657 1.00 0.21 H new ATOM 0 HG2 GLU A 88 2.015 -0.361 -8.335 1.00 0.58 H new ATOM 0 HG3 GLU A 88 2.991 -1.633 -9.042 1.00 0.58 H new ATOM 1362 N PHE A 89 0.287 1.505 -9.352 1.00 0.10 N ATOM 1363 CA PHE A 89 0.540 2.855 -9.960 1.00 0.09 C ATOM 1364 C PHE A 89 1.456 3.653 -9.040 1.00 0.10 C ATOM 1365 O PHE A 89 1.589 3.353 -7.869 1.00 0.10 O ATOM 1366 CB PHE A 89 -0.760 3.642 -10.181 1.00 0.11 C ATOM 1367 CG PHE A 89 -1.348 4.140 -8.876 1.00 0.10 C ATOM 1368 CD1 PHE A 89 -0.871 5.328 -8.298 1.00 0.11 C ATOM 1369 CD2 PHE A 89 -2.390 3.439 -8.268 1.00 0.12 C ATOM 1370 CE1 PHE A 89 -1.444 5.814 -7.113 1.00 0.13 C ATOM 1371 CE2 PHE A 89 -2.957 3.919 -7.078 1.00 0.13 C ATOM 1372 CZ PHE A 89 -2.486 5.108 -6.503 1.00 0.14 C ATOM 0 H PHE A 89 0.494 1.430 -8.356 1.00 0.10 H new ATOM 0 HA PHE A 89 1.006 2.700 -10.933 1.00 0.09 H new ATOM 0 HB2 PHE A 89 -0.564 4.490 -10.838 1.00 0.11 H new ATOM 0 HB3 PHE A 89 -1.487 3.007 -10.688 1.00 0.11 H new ATOM 0 HD1 PHE A 89 -0.062 5.868 -8.767 1.00 0.11 H new ATOM 0 HD2 PHE A 89 -2.760 2.527 -8.713 1.00 0.12 H new ATOM 0 HE1 PHE A 89 -1.081 6.731 -6.673 1.00 0.13 H new ATOM 0 HE2 PHE A 89 -3.758 3.372 -6.604 1.00 0.13 H new ATOM 0 HZ PHE A 89 -2.928 5.478 -5.590 1.00 0.14 H new ATOM 1382 N SER A 90 2.097 4.663 -9.570 1.00 0.10 N ATOM 1383 CA SER A 90 3.030 5.501 -8.754 1.00 0.10 C ATOM 1384 C SER A 90 2.645 6.968 -8.867 1.00 0.09 C ATOM 1385 O SER A 90 1.961 7.375 -9.783 1.00 0.11 O ATOM 1386 CB SER A 90 4.450 5.346 -9.282 1.00 0.11 C ATOM 1387 OG SER A 90 4.490 5.771 -10.639 1.00 0.12 O ATOM 0 H SER A 90 2.013 4.947 -10.546 1.00 0.10 H new ATOM 0 HA SER A 90 2.970 5.176 -7.715 1.00 0.10 H new ATOM 0 HB2 SER A 90 5.141 5.938 -8.682 1.00 0.11 H new ATOM 0 HB3 SER A 90 4.769 4.307 -9.204 1.00 0.11 H new ATOM 0 HG SER A 90 5.402 5.676 -10.985 1.00 0.12 H new ATOM 1393 N GLY A 91 3.097 7.770 -7.938 1.00 0.09 N ATOM 1394 CA GLY A 91 2.787 9.231 -7.967 1.00 0.09 C ATOM 1395 C GLY A 91 2.088 9.616 -6.669 1.00 0.10 C ATOM 1396 O GLY A 91 1.308 8.858 -6.130 1.00 0.12 O ATOM 0 H GLY A 91 3.674 7.472 -7.152 1.00 0.09 H new ATOM 0 HA2 GLY A 91 3.704 9.808 -8.086 1.00 0.09 H new ATOM 0 HA3 GLY A 91 2.151 9.464 -8.821 1.00 0.09 H new ATOM 1400 N ALA A 92 2.361 10.778 -6.151 1.00 0.11 N ATOM 1401 CA ALA A 92 1.704 11.177 -4.880 1.00 0.14 C ATOM 1402 C ALA A 92 0.273 11.638 -5.157 1.00 0.13 C ATOM 1403 O ALA A 92 -0.067 12.786 -4.943 1.00 0.17 O ATOM 1404 CB ALA A 92 2.491 12.323 -4.249 1.00 0.18 C ATOM 0 H ALA A 92 3.004 11.463 -6.548 1.00 0.11 H new ATOM 0 HA ALA A 92 1.680 10.324 -4.201 1.00 0.14 H new ATOM 0 HB1 ALA A 92 2.014 12.621 -3.315 1.00 0.18 H new ATOM 0 HB2 ALA A 92 3.511 11.996 -4.047 1.00 0.18 H new ATOM 0 HB3 ALA A 92 2.510 13.171 -4.933 1.00 0.18 H new ATOM 1410 N ASN A 93 -0.581 10.741 -5.602 1.00 0.12 N ATOM 1411 CA ASN A 93 -2.009 11.111 -5.865 1.00 0.14 C ATOM 1412 C ASN A 93 -2.906 10.282 -4.944 1.00 0.13 C ATOM 1413 O ASN A 93 -3.221 9.144 -5.224 1.00 0.14 O ATOM 1414 CB ASN A 93 -2.356 10.820 -7.328 1.00 0.16 C ATOM 1415 CG ASN A 93 -3.734 11.408 -7.648 1.00 0.20 C ATOM 1416 OD1 ASN A 93 -4.236 11.251 -8.742 1.00 0.88 O ATOM 1417 ND2 ASN A 93 -4.380 12.071 -6.725 1.00 0.75 N ATOM 0 H ASN A 93 -0.347 9.767 -5.794 1.00 0.12 H new ATOM 0 HA ASN A 93 -2.161 12.173 -5.672 1.00 0.14 H new ATOM 0 HB2 ASN A 93 -1.602 11.252 -7.986 1.00 0.16 H new ATOM 0 HB3 ASN A 93 -2.356 9.745 -7.507 1.00 0.16 H new ATOM 0 HD21 ASN A 93 -5.304 12.455 -6.925 1.00 0.75 H new ATOM 0 HD22 ASN A 93 -3.960 12.204 -5.805 1.00 0.75 H new ATOM 1424 N LYS A 94 -3.304 10.846 -3.839 1.00 0.14 N ATOM 1425 CA LYS A 94 -4.175 10.107 -2.878 1.00 0.15 C ATOM 1426 C LYS A 94 -5.583 9.894 -3.449 1.00 0.15 C ATOM 1427 O LYS A 94 -6.218 8.894 -3.186 1.00 0.15 O ATOM 1428 CB LYS A 94 -4.258 10.912 -1.583 1.00 0.18 C ATOM 1429 CG LYS A 94 -4.678 12.383 -1.873 1.00 0.18 C ATOM 1430 CD LYS A 94 -3.491 13.332 -1.632 1.00 0.24 C ATOM 1431 CE LYS A 94 -3.973 14.780 -1.622 1.00 0.59 C ATOM 1432 NZ LYS A 94 -2.812 15.683 -1.363 1.00 1.06 N ATOM 0 H LYS A 94 -3.062 11.796 -3.556 1.00 0.14 H new ATOM 0 HA LYS A 94 -3.743 9.124 -2.691 1.00 0.15 H new ATOM 0 HB2 LYS A 94 -4.978 10.450 -0.908 1.00 0.18 H new ATOM 0 HB3 LYS A 94 -3.292 10.898 -1.078 1.00 0.18 H new ATOM 0 HG2 LYS A 94 -5.023 12.474 -2.903 1.00 0.18 H new ATOM 0 HG3 LYS A 94 -5.513 12.664 -1.231 1.00 0.18 H new ATOM 0 HD2 LYS A 94 -3.011 13.093 -0.683 1.00 0.24 H new ATOM 0 HD3 LYS A 94 -2.741 13.195 -2.411 1.00 0.24 H new ATOM 0 HE2 LYS A 94 -4.436 15.028 -2.577 1.00 0.59 H new ATOM 0 HE3 LYS A 94 -4.734 14.917 -0.854 1.00 0.59 H new ATOM 0 HZ1 LYS A 94 -3.136 16.671 -1.355 1.00 1.06 H new ATOM 0 HZ2 LYS A 94 -2.390 15.450 -0.442 1.00 1.06 H new ATOM 0 HZ3 LYS A 94 -2.101 15.558 -2.111 1.00 1.06 H new ATOM 1446 N GLU A 95 -6.080 10.818 -4.227 1.00 0.15 N ATOM 1447 CA GLU A 95 -7.445 10.649 -4.799 1.00 0.15 C ATOM 1448 C GLU A 95 -7.455 9.437 -5.727 1.00 0.15 C ATOM 1449 O GLU A 95 -8.456 8.773 -5.902 1.00 0.16 O ATOM 1450 CB GLU A 95 -7.821 11.901 -5.593 1.00 0.17 C ATOM 1451 CG GLU A 95 -7.865 13.105 -4.652 1.00 0.19 C ATOM 1452 CD GLU A 95 -9.047 12.951 -3.697 1.00 0.86 C ATOM 1453 OE1 GLU A 95 -10.027 12.341 -4.094 1.00 1.61 O ATOM 1454 OE2 GLU A 95 -8.954 13.441 -2.584 1.00 1.55 O ATOM 0 H GLU A 95 -5.601 11.679 -4.490 1.00 0.15 H new ATOM 0 HA GLU A 95 -8.164 10.499 -3.994 1.00 0.15 H new ATOM 0 HB2 GLU A 95 -7.095 12.073 -6.388 1.00 0.17 H new ATOM 0 HB3 GLU A 95 -8.791 11.764 -6.072 1.00 0.17 H new ATOM 0 HG2 GLU A 95 -6.934 13.177 -4.089 1.00 0.19 H new ATOM 0 HG3 GLU A 95 -7.963 14.027 -5.225 1.00 0.19 H new ATOM 1461 N LYS A 96 -6.341 9.162 -6.328 1.00 0.14 N ATOM 1462 CA LYS A 96 -6.237 8.013 -7.263 1.00 0.15 C ATOM 1463 C LYS A 96 -6.553 6.718 -6.517 1.00 0.14 C ATOM 1464 O LYS A 96 -7.174 5.817 -7.046 1.00 0.15 O ATOM 1465 CB LYS A 96 -4.813 7.984 -7.793 1.00 0.16 C ATOM 1466 CG LYS A 96 -4.680 6.983 -8.946 1.00 0.21 C ATOM 1467 CD LYS A 96 -3.398 7.288 -9.751 1.00 0.25 C ATOM 1468 CE LYS A 96 -3.682 8.351 -10.822 1.00 0.82 C ATOM 1469 NZ LYS A 96 -4.535 7.764 -11.890 1.00 1.45 N ATOM 0 H LYS A 96 -5.479 9.694 -6.210 1.00 0.14 H new ATOM 0 HA LYS A 96 -6.944 8.113 -8.087 1.00 0.15 H new ATOM 0 HB2 LYS A 96 -4.527 8.979 -8.135 1.00 0.16 H new ATOM 0 HB3 LYS A 96 -4.127 7.714 -6.990 1.00 0.16 H new ATOM 0 HG2 LYS A 96 -4.643 5.966 -8.556 1.00 0.21 H new ATOM 0 HG3 LYS A 96 -5.553 7.043 -9.596 1.00 0.21 H new ATOM 0 HD2 LYS A 96 -2.614 7.638 -9.080 1.00 0.25 H new ATOM 0 HD3 LYS A 96 -3.031 6.376 -10.222 1.00 0.25 H new ATOM 0 HE2 LYS A 96 -4.182 9.210 -10.374 1.00 0.82 H new ATOM 0 HE3 LYS A 96 -2.746 8.713 -11.247 1.00 0.82 H new ATOM 0 HZ1 LYS A 96 -4.401 8.297 -12.773 1.00 1.45 H new ATOM 0 HZ2 LYS A 96 -4.267 6.770 -12.041 1.00 1.45 H new ATOM 0 HZ3 LYS A 96 -5.534 7.814 -11.603 1.00 1.45 H new ATOM 1483 N LEU A 97 -6.140 6.624 -5.286 1.00 0.13 N ATOM 1484 CA LEU A 97 -6.425 5.399 -4.495 1.00 0.13 C ATOM 1485 C LEU A 97 -7.924 5.193 -4.452 1.00 0.14 C ATOM 1486 O LEU A 97 -8.425 4.091 -4.523 1.00 0.15 O ATOM 1487 CB LEU A 97 -5.957 5.618 -3.051 1.00 0.13 C ATOM 1488 CG LEU A 97 -4.438 5.518 -2.940 1.00 0.14 C ATOM 1489 CD1 LEU A 97 -4.024 5.966 -1.533 1.00 0.19 C ATOM 1490 CD2 LEU A 97 -3.979 4.065 -3.177 1.00 0.19 C ATOM 0 H LEU A 97 -5.615 7.346 -4.792 1.00 0.13 H new ATOM 0 HA LEU A 97 -5.918 4.545 -4.945 1.00 0.13 H new ATOM 0 HB2 LEU A 97 -6.286 6.598 -2.704 1.00 0.13 H new ATOM 0 HB3 LEU A 97 -6.421 4.877 -2.400 1.00 0.13 H new ATOM 0 HG LEU A 97 -3.972 6.155 -3.692 1.00 0.14 H new ATOM 0 HD11 LEU A 97 -2.940 5.901 -1.435 1.00 0.19 H new ATOM 0 HD12 LEU A 97 -4.342 6.996 -1.371 1.00 0.19 H new ATOM 0 HD13 LEU A 97 -4.495 5.320 -0.792 1.00 0.19 H new ATOM 0 HD21 LEU A 97 -2.894 4.008 -3.095 1.00 0.19 H new ATOM 0 HD22 LEU A 97 -4.434 3.413 -2.431 1.00 0.19 H new ATOM 0 HD23 LEU A 97 -4.285 3.745 -4.173 1.00 0.19 H new ATOM 1502 N GLU A 98 -8.636 6.258 -4.310 1.00 0.14 N ATOM 1503 CA GLU A 98 -10.114 6.153 -4.214 1.00 0.15 C ATOM 1504 C GLU A 98 -10.699 5.533 -5.481 1.00 0.16 C ATOM 1505 O GLU A 98 -11.589 4.708 -5.420 1.00 0.18 O ATOM 1506 CB GLU A 98 -10.695 7.557 -4.016 1.00 0.18 C ATOM 1507 CG GLU A 98 -12.214 7.485 -3.812 1.00 0.21 C ATOM 1508 CD GLU A 98 -12.930 7.267 -5.150 1.00 1.28 C ATOM 1509 OE1 GLU A 98 -12.304 7.465 -6.180 1.00 2.10 O ATOM 1510 OE2 GLU A 98 -14.095 6.902 -5.121 1.00 2.00 O ATOM 0 H GLU A 98 -8.263 7.206 -4.255 1.00 0.14 H new ATOM 0 HA GLU A 98 -10.371 5.512 -3.370 1.00 0.15 H new ATOM 0 HB2 GLU A 98 -10.228 8.032 -3.153 1.00 0.18 H new ATOM 0 HB3 GLU A 98 -10.467 8.177 -4.883 1.00 0.18 H new ATOM 0 HG2 GLU A 98 -12.456 6.672 -3.128 1.00 0.21 H new ATOM 0 HG3 GLU A 98 -12.568 8.407 -3.350 1.00 0.21 H new ATOM 1517 N ALA A 99 -10.236 5.940 -6.624 1.00 0.16 N ATOM 1518 CA ALA A 99 -10.806 5.393 -7.888 1.00 0.17 C ATOM 1519 C ALA A 99 -10.455 3.913 -8.068 1.00 0.16 C ATOM 1520 O ALA A 99 -11.287 3.117 -8.461 1.00 0.17 O ATOM 1521 CB ALA A 99 -10.273 6.199 -9.073 1.00 0.19 C ATOM 0 H ALA A 99 -9.490 6.625 -6.742 1.00 0.16 H new ATOM 0 HA ALA A 99 -11.892 5.475 -7.838 1.00 0.17 H new ATOM 0 HB1 ALA A 99 -10.688 5.802 -9.999 1.00 0.19 H new ATOM 0 HB2 ALA A 99 -10.565 7.243 -8.963 1.00 0.19 H new ATOM 0 HB3 ALA A 99 -9.186 6.127 -9.102 1.00 0.19 H new ATOM 1527 N THR A 100 -9.236 3.530 -7.813 1.00 0.16 N ATOM 1528 CA THR A 100 -8.857 2.099 -8.003 1.00 0.16 C ATOM 1529 C THR A 100 -9.627 1.224 -7.008 1.00 0.15 C ATOM 1530 O THR A 100 -10.088 0.149 -7.339 1.00 0.15 O ATOM 1531 CB THR A 100 -7.351 1.938 -7.787 1.00 0.17 C ATOM 1532 OG1 THR A 100 -6.665 2.910 -8.562 1.00 0.19 O ATOM 1533 CG2 THR A 100 -6.917 0.542 -8.239 1.00 0.20 C ATOM 0 H THR A 100 -8.488 4.140 -7.483 1.00 0.16 H new ATOM 0 HA THR A 100 -9.109 1.787 -9.017 1.00 0.16 H new ATOM 0 HB THR A 100 -7.117 2.070 -6.731 1.00 0.17 H new ATOM 0 HG1 THR A 100 -5.699 2.814 -8.427 1.00 0.19 H new ATOM 0 HG21 THR A 100 -5.844 0.427 -8.085 1.00 0.20 H new ATOM 0 HG22 THR A 100 -7.450 -0.211 -7.658 1.00 0.20 H new ATOM 0 HG23 THR A 100 -7.148 0.414 -9.297 1.00 0.20 H new ATOM 1541 N ILE A 101 -9.773 1.681 -5.793 1.00 0.14 N ATOM 1542 CA ILE A 101 -10.520 0.884 -4.775 1.00 0.13 C ATOM 1543 C ILE A 101 -11.946 0.697 -5.271 1.00 0.14 C ATOM 1544 O ILE A 101 -12.471 -0.395 -5.304 1.00 0.14 O ATOM 1545 CB ILE A 101 -10.542 1.658 -3.447 1.00 0.14 C ATOM 1546 CG1 ILE A 101 -9.132 1.692 -2.847 1.00 0.14 C ATOM 1547 CG2 ILE A 101 -11.493 0.977 -2.455 1.00 0.15 C ATOM 1548 CD1 ILE A 101 -9.059 2.769 -1.757 1.00 0.16 C ATOM 0 H ILE A 101 -9.407 2.573 -5.460 1.00 0.14 H new ATOM 0 HA ILE A 101 -10.042 -0.084 -4.623 1.00 0.13 H new ATOM 0 HB ILE A 101 -10.887 2.674 -3.638 1.00 0.14 H new ATOM 0 HG12 ILE A 101 -8.882 0.718 -2.426 1.00 0.14 H new ATOM 0 HG13 ILE A 101 -8.400 1.900 -3.627 1.00 0.14 H new ATOM 0 HG21 ILE A 101 -11.501 1.534 -1.518 1.00 0.15 H new ATOM 0 HG22 ILE A 101 -12.500 0.955 -2.872 1.00 0.15 H new ATOM 0 HG23 ILE A 101 -11.155 -0.043 -2.269 1.00 0.15 H new ATOM 0 HD11 ILE A 101 -8.055 2.790 -1.333 1.00 0.16 H new ATOM 0 HD12 ILE A 101 -9.290 3.742 -2.191 1.00 0.16 H new ATOM 0 HD13 ILE A 101 -9.780 2.541 -0.972 1.00 0.16 H new ATOM 1560 N ASN A 102 -12.564 1.769 -5.673 1.00 0.17 N ATOM 1561 CA ASN A 102 -13.952 1.694 -6.194 1.00 0.20 C ATOM 1562 C ASN A 102 -13.966 0.784 -7.416 1.00 0.19 C ATOM 1563 O ASN A 102 -14.910 0.063 -7.669 1.00 0.20 O ATOM 1564 CB ASN A 102 -14.419 3.096 -6.589 1.00 0.25 C ATOM 1565 CG ASN A 102 -15.864 3.030 -7.079 1.00 0.31 C ATOM 1566 OD1 ASN A 102 -16.147 2.446 -8.107 1.00 0.95 O ATOM 1567 ND2 ASN A 102 -16.799 3.618 -6.384 1.00 0.55 N ATOM 0 H ASN A 102 -12.160 2.706 -5.662 1.00 0.17 H new ATOM 0 HA ASN A 102 -14.620 1.296 -5.430 1.00 0.20 H new ATOM 0 HB2 ASN A 102 -14.343 3.770 -5.736 1.00 0.25 H new ATOM 0 HB3 ASN A 102 -13.776 3.498 -7.372 1.00 0.25 H new ATOM 0 HD21 ASN A 102 -17.767 3.588 -6.703 1.00 0.55 H new ATOM 0 HD22 ASN A 102 -16.562 4.108 -5.521 1.00 0.55 H new ATOM 1574 N GLU A 103 -12.922 0.841 -8.187 1.00 0.18 N ATOM 1575 CA GLU A 103 -12.844 0.018 -9.419 1.00 0.18 C ATOM 1576 C GLU A 103 -12.750 -1.466 -9.055 1.00 0.16 C ATOM 1577 O GLU A 103 -13.342 -2.309 -9.700 1.00 0.18 O ATOM 1578 CB GLU A 103 -11.575 0.420 -10.169 1.00 0.19 C ATOM 1579 CG GLU A 103 -11.576 -0.216 -11.560 1.00 0.21 C ATOM 1580 CD GLU A 103 -10.205 -0.018 -12.208 1.00 1.34 C ATOM 1581 OE1 GLU A 103 -9.229 0.031 -11.479 1.00 2.21 O ATOM 1582 OE2 GLU A 103 -10.154 0.077 -13.424 1.00 2.04 O ATOM 0 H GLU A 103 -12.108 1.431 -8.013 1.00 0.18 H new ATOM 0 HA GLU A 103 -13.732 0.178 -10.030 1.00 0.18 H new ATOM 0 HB2 GLU A 103 -11.520 1.505 -10.255 1.00 0.19 H new ATOM 0 HB3 GLU A 103 -10.695 0.099 -9.612 1.00 0.19 H new ATOM 0 HG2 GLU A 103 -11.806 -1.279 -11.486 1.00 0.21 H new ATOM 0 HG3 GLU A 103 -12.352 0.236 -12.178 1.00 0.21 H new ATOM 1589 N LEU A 104 -11.999 -1.794 -8.034 1.00 0.14 N ATOM 1590 CA LEU A 104 -11.845 -3.230 -7.634 1.00 0.14 C ATOM 1591 C LEU A 104 -12.736 -3.569 -6.427 1.00 0.13 C ATOM 1592 O LEU A 104 -12.699 -4.677 -5.929 1.00 0.15 O ATOM 1593 CB LEU A 104 -10.383 -3.486 -7.257 1.00 0.14 C ATOM 1594 CG LEU A 104 -9.466 -3.198 -8.453 1.00 0.16 C ATOM 1595 CD1 LEU A 104 -8.010 -3.333 -8.003 1.00 0.17 C ATOM 1596 CD2 LEU A 104 -9.754 -4.187 -9.604 1.00 0.25 C ATOM 0 H LEU A 104 -11.484 -1.129 -7.457 1.00 0.14 H new ATOM 0 HA LEU A 104 -12.145 -3.857 -8.474 1.00 0.14 H new ATOM 0 HB2 LEU A 104 -10.102 -2.855 -6.414 1.00 0.14 H new ATOM 0 HB3 LEU A 104 -10.259 -4.520 -6.936 1.00 0.14 H new ATOM 0 HG LEU A 104 -9.651 -2.187 -8.815 1.00 0.16 H new ATOM 0 HD11 LEU A 104 -7.349 -3.130 -8.845 1.00 0.17 H new ATOM 0 HD12 LEU A 104 -7.809 -2.620 -7.204 1.00 0.17 H new ATOM 0 HD13 LEU A 104 -7.834 -4.345 -7.639 1.00 0.17 H new ATOM 0 HD21 LEU A 104 -9.095 -3.969 -10.445 1.00 0.25 H new ATOM 0 HD22 LEU A 104 -9.578 -5.206 -9.260 1.00 0.25 H new ATOM 0 HD23 LEU A 104 -10.792 -4.085 -9.921 1.00 0.25 H new ATOM 1608 N VAL A 105 -13.527 -2.648 -5.937 1.00 0.14 N ATOM 1609 CA VAL A 105 -14.386 -2.981 -4.756 1.00 0.15 C ATOM 1610 C VAL A 105 -15.452 -3.998 -5.177 1.00 0.16 C ATOM 1611 O VAL A 105 -15.999 -3.842 -6.257 1.00 1.08 O ATOM 1612 CB VAL A 105 -15.072 -1.719 -4.202 1.00 0.17 C ATOM 1613 CG1 VAL A 105 -16.203 -1.258 -5.140 1.00 0.21 C ATOM 1614 CG2 VAL A 105 -15.644 -2.032 -2.814 1.00 0.19 C ATOM 1615 OXT VAL A 105 -15.700 -4.914 -4.412 1.00 1.08 O ATOM 0 H VAL A 105 -13.616 -1.697 -6.294 1.00 0.14 H new ATOM 0 HA VAL A 105 -13.754 -3.402 -3.974 1.00 0.15 H new ATOM 0 HB VAL A 105 -14.338 -0.916 -4.131 1.00 0.17 H new ATOM 0 HG11 VAL A 105 -16.675 -0.365 -4.730 1.00 0.21 H new ATOM 0 HG12 VAL A 105 -15.791 -1.032 -6.123 1.00 0.21 H new ATOM 0 HG13 VAL A 105 -16.945 -2.051 -5.232 1.00 0.21 H new ATOM 0 HG21 VAL A 105 -16.132 -1.144 -2.413 1.00 0.19 H new ATOM 0 HG22 VAL A 105 -16.371 -2.841 -2.894 1.00 0.19 H new ATOM 0 HG23 VAL A 105 -14.836 -2.334 -2.147 1.00 0.19 H new ATOM 1683 N LYS B 63 6.992 14.983 -5.774 1.00 0.19 N ATOM 1684 CA LYS B 63 5.881 13.986 -5.827 1.00 0.14 C ATOM 1685 C LYS B 63 6.441 12.562 -5.816 1.00 0.12 C ATOM 1686 O LYS B 63 5.740 11.622 -5.492 1.00 0.12 O ATOM 1687 CB LYS B 63 5.079 14.196 -7.115 1.00 0.17 C ATOM 1688 CG LYS B 63 4.488 15.613 -7.148 1.00 0.20 C ATOM 1689 CD LYS B 63 3.240 15.694 -6.262 1.00 0.40 C ATOM 1690 CE LYS B 63 2.563 17.051 -6.466 1.00 0.35 C ATOM 1691 NZ LYS B 63 1.299 17.092 -5.679 1.00 1.31 N ATOM 0 HA LYS B 63 5.241 14.124 -4.955 1.00 0.14 H new ATOM 0 HB2 LYS B 63 5.722 14.042 -7.981 1.00 0.17 H new ATOM 0 HB3 LYS B 63 4.278 13.459 -7.178 1.00 0.17 H new ATOM 0 HG2 LYS B 63 5.232 16.332 -6.805 1.00 0.20 H new ATOM 0 HG3 LYS B 63 4.232 15.883 -8.173 1.00 0.20 H new ATOM 0 HD2 LYS B 63 2.549 14.889 -6.512 1.00 0.40 H new ATOM 0 HD3 LYS B 63 3.514 15.565 -5.215 1.00 0.40 H new ATOM 0 HE2 LYS B 63 3.229 17.854 -6.149 1.00 0.35 H new ATOM 0 HE3 LYS B 63 2.352 17.210 -7.524 1.00 0.35 H new ATOM 0 HZ1 LYS B 63 0.835 18.013 -5.815 1.00 1.31 H new ATOM 0 HZ2 LYS B 63 0.664 16.334 -6.002 1.00 1.31 H new ATOM 0 HZ3 LYS B 63 1.514 16.958 -4.670 1.00 1.31 H new ATOM 1705 N ILE B 64 7.690 12.395 -6.189 1.00 0.11 N ATOM 1706 CA ILE B 64 8.320 11.026 -6.209 1.00 0.11 C ATOM 1707 C ILE B 64 9.667 11.071 -5.463 1.00 0.10 C ATOM 1708 O ILE B 64 10.428 12.006 -5.615 1.00 0.11 O ATOM 1709 CB ILE B 64 8.572 10.612 -7.671 1.00 0.12 C ATOM 1710 CG1 ILE B 64 7.234 10.403 -8.404 1.00 0.15 C ATOM 1711 CG2 ILE B 64 9.389 9.318 -7.722 1.00 0.13 C ATOM 1712 CD1 ILE B 64 6.389 9.318 -7.715 1.00 0.15 C ATOM 0 H ILE B 64 8.307 13.152 -6.483 1.00 0.11 H new ATOM 0 HA ILE B 64 7.656 10.310 -5.725 1.00 0.11 H new ATOM 0 HB ILE B 64 9.130 11.409 -8.163 1.00 0.12 H new ATOM 0 HG12 ILE B 64 6.678 11.341 -8.428 1.00 0.15 H new ATOM 0 HG13 ILE B 64 7.423 10.118 -9.439 1.00 0.15 H new ATOM 0 HG21 ILE B 64 9.560 9.036 -8.761 1.00 0.13 H new ATOM 0 HG22 ILE B 64 10.347 9.473 -7.226 1.00 0.13 H new ATOM 0 HG23 ILE B 64 8.842 8.522 -7.216 1.00 0.13 H new ATOM 0 HD11 ILE B 64 5.450 9.191 -8.254 1.00 0.15 H new ATOM 0 HD12 ILE B 64 6.937 8.376 -7.715 1.00 0.15 H new ATOM 0 HD13 ILE B 64 6.180 9.617 -6.688 1.00 0.15 H new ATOM 1724 N CYS B 65 9.990 10.058 -4.684 1.00 0.09 N ATOM 1725 CA CYS B 65 11.311 10.038 -3.974 1.00 0.10 C ATOM 1726 C CYS B 65 12.235 9.106 -4.776 1.00 0.10 C ATOM 1727 O CYS B 65 11.840 8.026 -5.170 1.00 0.11 O ATOM 1728 CB CYS B 65 11.166 9.515 -2.530 1.00 0.10 C ATOM 1729 SG CYS B 65 9.753 10.291 -1.693 1.00 0.19 S ATOM 0 H CYS B 65 9.395 9.247 -4.511 1.00 0.09 H new ATOM 0 HA CYS B 65 11.716 11.048 -3.910 1.00 0.10 H new ATOM 0 HB2 CYS B 65 11.036 8.433 -2.543 1.00 0.10 H new ATOM 0 HB3 CYS B 65 12.080 9.719 -1.972 1.00 0.10 H new ATOM 1734 N SER B 66 13.440 9.521 -5.068 1.00 0.12 N ATOM 1735 CA SER B 66 14.350 8.661 -5.889 1.00 0.14 C ATOM 1736 C SER B 66 15.077 7.628 -5.015 1.00 0.14 C ATOM 1737 O SER B 66 15.517 7.921 -3.923 1.00 0.15 O ATOM 1738 CB SER B 66 15.387 9.549 -6.573 1.00 0.18 C ATOM 1739 OG SER B 66 14.720 10.490 -7.403 1.00 0.20 O ATOM 0 H SER B 66 13.834 10.415 -4.776 1.00 0.12 H new ATOM 0 HA SER B 66 13.750 8.128 -6.627 1.00 0.14 H new ATOM 0 HB2 SER B 66 15.989 10.067 -5.827 1.00 0.18 H new ATOM 0 HB3 SER B 66 16.069 8.941 -7.167 1.00 0.18 H new ATOM 0 HG SER B 66 15.381 11.064 -7.843 1.00 0.20 H new ATOM 1745 N TRP B 67 15.221 6.423 -5.503 1.00 0.15 N ATOM 1746 CA TRP B 67 15.933 5.364 -4.724 1.00 0.16 C ATOM 1747 C TRP B 67 17.435 5.642 -4.720 1.00 0.19 C ATOM 1748 O TRP B 67 18.193 4.998 -4.024 1.00 0.21 O ATOM 1749 CB TRP B 67 15.658 3.983 -5.332 1.00 0.16 C ATOM 1750 CG TRP B 67 14.232 3.615 -5.081 1.00 0.14 C ATOM 1751 CD1 TRP B 67 13.167 4.343 -5.472 1.00 0.13 C ATOM 1752 CD2 TRP B 67 13.696 2.455 -4.383 1.00 0.14 C ATOM 1753 NE1 TRP B 67 12.015 3.706 -5.062 1.00 0.13 N ATOM 1754 CE2 TRP B 67 12.291 2.542 -4.384 1.00 0.13 C ATOM 1755 CE3 TRP B 67 14.284 1.345 -3.757 1.00 0.16 C ATOM 1756 CZ2 TRP B 67 11.501 1.574 -3.783 1.00 0.14 C ATOM 1757 CZ3 TRP B 67 13.491 0.366 -3.153 1.00 0.17 C ATOM 1758 CH2 TRP B 67 12.101 0.481 -3.164 1.00 0.16 C ATOM 0 H TRP B 67 14.874 6.124 -6.414 1.00 0.15 H new ATOM 0 HA TRP B 67 15.565 5.375 -3.698 1.00 0.16 H new ATOM 0 HB2 TRP B 67 15.860 3.996 -6.403 1.00 0.16 H new ATOM 0 HB3 TRP B 67 16.322 3.239 -4.892 1.00 0.16 H new ATOM 0 HD1 TRP B 67 13.209 5.274 -6.018 1.00 0.13 H new ATOM 0 HE1 TRP B 67 11.073 4.055 -5.240 1.00 0.13 H new ATOM 0 HE3 TRP B 67 15.359 1.247 -3.742 1.00 0.16 H new ATOM 0 HZ2 TRP B 67 10.425 1.668 -3.795 1.00 0.14 H new ATOM 0 HZ3 TRP B 67 13.956 -0.484 -2.675 1.00 0.17 H new ATOM 0 HH2 TRP B 67 11.492 -0.276 -2.693 1.00 0.16 H new ATOM 1769 N ASN B 68 17.880 6.594 -5.495 1.00 0.23 N ATOM 1770 CA ASN B 68 19.338 6.901 -5.525 1.00 0.27 C ATOM 1771 C ASN B 68 19.812 7.194 -4.102 1.00 0.26 C ATOM 1772 O ASN B 68 20.995 7.268 -3.834 1.00 0.30 O ATOM 1773 CB ASN B 68 19.585 8.131 -6.401 1.00 0.34 C ATOM 1774 CG ASN B 68 19.336 7.778 -7.870 1.00 0.40 C ATOM 1775 OD1 ASN B 68 19.547 8.594 -8.747 1.00 0.49 O ATOM 1776 ND2 ASN B 68 18.898 6.587 -8.180 1.00 0.40 N ATOM 0 H ASN B 68 17.300 7.170 -6.106 1.00 0.23 H new ATOM 0 HA ASN B 68 19.884 6.050 -5.933 1.00 0.27 H new ATOM 0 HB2 ASN B 68 18.927 8.944 -6.096 1.00 0.34 H new ATOM 0 HB3 ASN B 68 20.608 8.483 -6.270 1.00 0.34 H new ATOM 0 HD21 ASN B 68 18.733 6.342 -9.156 1.00 0.40 H new ATOM 0 HD22 ASN B 68 18.721 5.902 -7.446 1.00 0.40 H new