USER MOD reduce.3.24.130724 H: found=0, std=0, add=1084, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1084 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 131 LYS NZ :NH3+ 154:sc= -0.788 (180deg=0.0485) USER MOD Set 1.2: A 137 GLN : amide:sc= -4.83 X(o=-5.6,f=-5.9!) USER MOD Set 2.1: A 51 THR OG1 : rot 72:sc= -3.75! USER MOD Set 2.2: A 57 GLN : amide:sc= -3.37 K(o=-7.1,f=-16!) USER MOD Set 3.1: A 4 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 27 GLN : amide:sc= -0.0718 K(o=-0.072,f=-0.6) USER MOD Set 4.1: A 1 MET N :NH3+ -154:sc= -1.06 (180deg=0) USER MOD Set 4.2: A 26 SER OG : rot 130:sc= 0.195 USER MOD Set 4.3: A 133 GLN : amide:sc= -1.49 K(o=-2.4,f=-4.3!) USER MOD Set 5.1: A 11 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 76 CYS SG : rot -6:sc= -0.413 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot -24:sc= -0.532 USER MOD Single : A 15 LYS NZ :NH3+ 132:sc= 0.12 (180deg=0) USER MOD Single : A 20 SER OG : rot 84:sc= 0.41 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.341 X(o=-0.34,f=0) USER MOD Single : A 40 MET CE :methyl -101:sc= -13! (180deg=-22.4!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0835 USER MOD Single : A 46 THR OG1 : rot 78:sc= 0.384 USER MOD Single : A 49 SER OG : rot -139:sc= -1.32 USER MOD Single : A 58 SER OG : rot 46:sc= 0.42 USER MOD Single : A 63 ASN : amide:sc= -2.04 X(o=-2,f=-1.6) USER MOD Single : A 64 TYR OH : rot -72:sc= -0.314 USER MOD Single : A 67 HIS : no HD1:sc= -8.38! C(o=-8.4!,f=-9.6!) USER MOD Single : A 69 TYR OH : rot -140:sc= -4.68! USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 162:sc= -0.774 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 85 TYR OH : rot 138:sc= -1.12! USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -2.33! C(o=-2.3!,f=-2.7!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 TYR OH : rot 74:sc= -8.92! USER MOD Single : A 105 HIS : no HD1:sc= -5.02! K(o=-5!,f=-5.6) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot -73:sc= 0.997 USER MOD Single : A 116 THR OG1 : rot -145:sc= -0.16 USER MOD Single : A 117 ASN : amide:sc= -0.598 K(o=-0.6,f=-2.3) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 MET CE :methyl 173:sc= -10.3! (180deg=-11.5!) USER MOD Single : A 123 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00644) USER MOD Single : A 124 GLN : amide:sc= 0 X(o=0,f=-0.0093) USER MOD Single : A 127 THR OG1 : rot 89:sc= 1.18 USER MOD Single : A 128 TYR OH : rot -89:sc= -2.11 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 136 SER OG : rot -45:sc= 0.2 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.700 7.430 6.953 1.00 0.00 N ATOM 2 CA MET A 1 -10.937 8.234 5.725 1.00 0.00 C ATOM 3 C MET A 1 -9.620 8.689 5.103 1.00 0.00 C ATOM 4 O MET A 1 -8.548 8.432 5.644 1.00 0.00 O ATOM 5 CB MET A 1 -11.799 9.444 6.094 1.00 0.00 C ATOM 6 CG MET A 1 -13.238 9.333 5.619 1.00 0.00 C ATOM 7 SD MET A 1 -13.937 10.923 5.136 1.00 0.00 S ATOM 8 CE MET A 1 -15.502 10.884 6.003 1.00 0.00 C ATOM 0 H1 MET A 1 -11.502 6.786 7.107 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.827 6.875 6.842 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.604 8.065 7.771 1.00 0.00 H new ATOM 0 HA MET A 1 -11.452 7.620 4.986 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.791 9.569 7.177 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.352 10.342 5.667 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.285 8.648 4.772 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.846 8.900 6.413 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.052 11.803 5.803 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.086 10.030 5.661 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.322 10.795 7.074 1.00 0.00 H new ATOM 20 N ARG A 2 -9.714 9.367 3.964 1.00 0.00 N ATOM 21 CA ARG A 2 -8.533 9.862 3.261 1.00 0.00 C ATOM 22 C ARG A 2 -7.530 8.738 3.000 1.00 0.00 C ATOM 23 O ARG A 2 -6.332 8.978 2.866 1.00 0.00 O ATOM 24 CB ARG A 2 -7.871 10.987 4.057 1.00 0.00 C ATOM 25 CG ARG A 2 -8.709 12.254 4.132 1.00 0.00 C ATOM 26 CD ARG A 2 -9.735 12.180 5.253 1.00 0.00 C ATOM 27 NE ARG A 2 -9.771 13.408 6.043 1.00 0.00 N ATOM 28 CZ ARG A 2 -10.375 13.512 7.224 1.00 0.00 C ATOM 29 NH1 ARG A 2 -10.993 12.464 7.755 1.00 0.00 N ATOM 30 NH2 ARG A 2 -10.361 14.665 7.877 1.00 0.00 N ATOM 0 H ARG A 2 -10.598 9.587 3.506 1.00 0.00 H new ATOM 0 HA ARG A 2 -8.858 10.254 2.297 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -7.669 10.635 5.068 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -6.909 11.224 3.603 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -8.057 13.113 4.290 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -9.218 12.411 3.181 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -10.722 11.992 4.830 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -9.501 11.337 5.903 1.00 0.00 H new ATOM 0 HE ARG A 2 -9.306 14.234 5.667 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -11.006 11.574 7.257 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -11.454 12.549 8.661 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -9.887 15.473 7.474 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -10.824 14.744 8.782 1.00 0.00 H new ATOM 44 N ILE A 3 -8.043 7.517 2.911 1.00 0.00 N ATOM 45 CA ILE A 3 -7.231 6.329 2.644 1.00 0.00 C ATOM 46 C ILE A 3 -8.043 5.074 2.927 1.00 0.00 C ATOM 47 O ILE A 3 -8.621 4.927 4.003 1.00 0.00 O ATOM 48 CB ILE A 3 -5.924 6.285 3.464 1.00 0.00 C ATOM 49 CG1 ILE A 3 -5.127 5.033 3.123 1.00 0.00 C ATOM 50 CG2 ILE A 3 -6.228 6.321 4.950 1.00 0.00 C ATOM 51 CD1 ILE A 3 -3.641 5.266 3.164 1.00 0.00 C ATOM 0 H ILE A 3 -9.037 7.319 3.022 1.00 0.00 H new ATOM 0 HA ILE A 3 -6.948 6.378 1.592 1.00 0.00 H new ATOM 0 HB ILE A 3 -5.328 7.161 3.209 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -5.386 4.239 3.824 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -5.410 4.686 2.129 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -5.295 6.289 5.513 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -6.765 7.239 5.189 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -6.842 5.461 5.217 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -3.121 4.342 2.913 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -3.374 6.040 2.444 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -3.350 5.586 4.165 1.00 0.00 H new ATOM 63 N TYR A 4 -8.104 4.179 1.947 1.00 0.00 N ATOM 64 CA TYR A 4 -8.874 2.955 2.095 1.00 0.00 C ATOM 65 C TYR A 4 -7.985 1.744 2.348 1.00 0.00 C ATOM 66 O TYR A 4 -8.356 0.849 3.106 1.00 0.00 O ATOM 67 CB TYR A 4 -9.728 2.709 0.846 1.00 0.00 C ATOM 68 CG TYR A 4 -10.966 3.580 0.746 1.00 0.00 C ATOM 69 CD1 TYR A 4 -11.097 4.743 1.497 1.00 0.00 C ATOM 70 CD2 TYR A 4 -12.004 3.236 -0.112 1.00 0.00 C ATOM 71 CE1 TYR A 4 -12.226 5.535 1.397 1.00 0.00 C ATOM 72 CE2 TYR A 4 -13.136 4.022 -0.217 1.00 0.00 C ATOM 73 CZ TYR A 4 -13.241 5.171 0.539 1.00 0.00 C ATOM 74 OH TYR A 4 -14.367 5.956 0.437 1.00 0.00 O ATOM 0 H TYR A 4 -7.632 4.279 1.048 1.00 0.00 H new ATOM 0 HA TYR A 4 -9.518 3.086 2.964 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -9.112 2.874 -0.038 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -10.034 1.663 0.831 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -10.303 5.033 2.170 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -11.925 2.338 -0.707 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -12.312 6.435 1.988 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -13.934 3.738 -0.887 1.00 0.00 H new ATOM 0 HH TYR A 4 -14.985 5.559 -0.212 1.00 0.00 H new ATOM 84 N TYR A 5 -6.824 1.699 1.704 1.00 0.00 N ATOM 85 CA TYR A 5 -5.928 0.563 1.877 1.00 0.00 C ATOM 86 C TYR A 5 -4.476 0.931 1.618 1.00 0.00 C ATOM 87 O TYR A 5 -4.172 1.933 0.973 1.00 0.00 O ATOM 88 CB TYR A 5 -6.348 -0.576 0.937 1.00 0.00 C ATOM 89 CG TYR A 5 -5.378 -1.748 0.861 1.00 0.00 C ATOM 90 CD1 TYR A 5 -4.154 -1.637 0.205 1.00 0.00 C ATOM 91 CD2 TYR A 5 -5.700 -2.975 1.432 1.00 0.00 C ATOM 92 CE1 TYR A 5 -3.285 -2.706 0.121 1.00 0.00 C ATOM 93 CE2 TYR A 5 -4.831 -4.048 1.354 1.00 0.00 C ATOM 94 CZ TYR A 5 -3.628 -3.909 0.698 1.00 0.00 C ATOM 95 OH TYR A 5 -2.766 -4.977 0.614 1.00 0.00 O ATOM 0 H TYR A 5 -6.486 2.422 1.069 1.00 0.00 H new ATOM 0 HA TYR A 5 -6.005 0.241 2.915 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -7.320 -0.950 1.258 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -6.479 -0.168 -0.065 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -3.880 -0.695 -0.247 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -6.644 -3.091 1.944 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -2.342 -2.600 -0.394 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -5.095 -4.993 1.806 1.00 0.00 H new ATOM 0 HH TYR A 5 -2.185 -4.868 -0.168 1.00 0.00 H new ATOM 105 N ILE A 6 -3.595 0.077 2.111 1.00 0.00 N ATOM 106 CA ILE A 6 -2.167 0.240 1.933 1.00 0.00 C ATOM 107 C ILE A 6 -1.504 -1.126 2.024 1.00 0.00 C ATOM 108 O ILE A 6 -2.120 -2.093 2.474 1.00 0.00 O ATOM 109 CB ILE A 6 -1.577 1.235 2.966 1.00 0.00 C ATOM 110 CG1 ILE A 6 -1.595 2.642 2.362 1.00 0.00 C ATOM 111 CG2 ILE A 6 -0.164 0.856 3.399 1.00 0.00 C ATOM 112 CD1 ILE A 6 -0.831 3.677 3.160 1.00 0.00 C ATOM 0 H ILE A 6 -3.854 -0.751 2.648 1.00 0.00 H new ATOM 0 HA ILE A 6 -1.970 0.667 0.950 1.00 0.00 H new ATOM 0 HB ILE A 6 -2.194 1.202 3.864 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -1.178 2.597 1.356 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.630 2.969 2.264 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.203 1.584 4.122 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.176 -0.134 3.855 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.493 0.846 2.529 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.897 4.643 2.660 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.260 3.756 4.159 1.00 0.00 H new ATOM 0 HD13 ILE A 6 0.215 3.378 3.236 1.00 0.00 H new ATOM 124 N GLY A 7 -0.264 -1.215 1.581 1.00 0.00 N ATOM 125 CA GLY A 7 0.427 -2.485 1.619 1.00 0.00 C ATOM 126 C GLY A 7 1.576 -2.557 0.639 1.00 0.00 C ATOM 127 O GLY A 7 1.932 -1.561 0.009 1.00 0.00 O ATOM 0 H GLY A 7 0.275 -0.438 1.198 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.804 -2.658 2.627 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.281 -3.285 1.401 1.00 0.00 H new ATOM 131 N VAL A 8 2.150 -3.742 0.506 1.00 0.00 N ATOM 132 CA VAL A 8 3.259 -3.954 -0.412 1.00 0.00 C ATOM 133 C VAL A 8 3.021 -5.206 -1.240 1.00 0.00 C ATOM 134 O VAL A 8 2.316 -6.119 -0.809 1.00 0.00 O ATOM 135 CB VAL A 8 4.606 -4.108 0.318 1.00 0.00 C ATOM 136 CG1 VAL A 8 5.734 -3.554 -0.530 1.00 0.00 C ATOM 137 CG2 VAL A 8 4.589 -3.437 1.686 1.00 0.00 C ATOM 0 H VAL A 8 1.866 -4.574 1.023 1.00 0.00 H new ATOM 0 HA VAL A 8 3.309 -3.070 -1.048 1.00 0.00 H new ATOM 0 HB VAL A 8 4.773 -5.173 0.478 1.00 0.00 H new ATOM 0 HG11 VAL A 8 6.679 -3.671 0.000 1.00 0.00 H new ATOM 0 HG12 VAL A 8 5.779 -4.096 -1.475 1.00 0.00 H new ATOM 0 HG13 VAL A 8 5.556 -2.497 -0.726 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.558 -3.569 2.168 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.385 -2.373 1.567 1.00 0.00 H new ATOM 0 HG23 VAL A 8 3.812 -3.889 2.303 1.00 0.00 H new ATOM 147 N PHE A 9 3.608 -5.256 -2.430 1.00 0.00 N ATOM 148 CA PHE A 9 3.444 -6.414 -3.298 1.00 0.00 C ATOM 149 C PHE A 9 4.622 -6.573 -4.246 1.00 0.00 C ATOM 150 O PHE A 9 5.114 -5.600 -4.814 1.00 0.00 O ATOM 151 CB PHE A 9 2.157 -6.304 -4.118 1.00 0.00 C ATOM 152 CG PHE A 9 1.004 -5.672 -3.392 1.00 0.00 C ATOM 153 CD1 PHE A 9 1.036 -4.336 -3.024 1.00 0.00 C ATOM 154 CD2 PHE A 9 -0.122 -6.416 -3.093 1.00 0.00 C ATOM 155 CE1 PHE A 9 -0.034 -3.759 -2.367 1.00 0.00 C ATOM 156 CE2 PHE A 9 -1.193 -5.844 -2.438 1.00 0.00 C ATOM 157 CZ PHE A 9 -1.148 -4.517 -2.075 1.00 0.00 C ATOM 0 H PHE A 9 4.196 -4.516 -2.813 1.00 0.00 H new ATOM 0 HA PHE A 9 3.391 -7.290 -2.651 1.00 0.00 H new ATOM 0 HB2 PHE A 9 2.364 -5.725 -5.018 1.00 0.00 H new ATOM 0 HB3 PHE A 9 1.862 -7.302 -4.442 1.00 0.00 H new ATOM 0 HD1 PHE A 9 1.907 -3.740 -3.253 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -0.164 -7.458 -3.376 1.00 0.00 H new ATOM 0 HE1 PHE A 9 0.002 -2.718 -2.083 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -2.066 -6.437 -2.210 1.00 0.00 H new ATOM 0 HZ PHE A 9 -1.986 -4.069 -1.561 1.00 0.00 H new ATOM 167 N ARG A 10 5.055 -7.814 -4.433 1.00 0.00 N ATOM 168 CA ARG A 10 6.158 -8.102 -5.337 1.00 0.00 C ATOM 169 C ARG A 10 5.628 -8.278 -6.753 1.00 0.00 C ATOM 170 O ARG A 10 4.572 -8.875 -6.959 1.00 0.00 O ATOM 171 CB ARG A 10 6.916 -9.362 -4.891 1.00 0.00 C ATOM 172 CG ARG A 10 7.577 -10.122 -6.036 1.00 0.00 C ATOM 173 CD ARG A 10 6.623 -11.126 -6.664 1.00 0.00 C ATOM 174 NE ARG A 10 7.151 -12.487 -6.620 1.00 0.00 N ATOM 175 CZ ARG A 10 6.448 -13.565 -6.959 1.00 0.00 C ATOM 176 NH1 ARG A 10 5.189 -13.445 -7.358 1.00 0.00 N ATOM 177 NH2 ARG A 10 7.005 -14.767 -6.894 1.00 0.00 N ATOM 0 H ARG A 10 4.660 -8.633 -3.972 1.00 0.00 H new ATOM 0 HA ARG A 10 6.855 -7.264 -5.316 1.00 0.00 H new ATOM 0 HB2 ARG A 10 7.680 -9.078 -4.168 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.223 -10.029 -4.377 1.00 0.00 H new ATOM 0 HG2 ARG A 10 7.915 -9.416 -6.795 1.00 0.00 H new ATOM 0 HG3 ARG A 10 8.461 -10.641 -5.667 1.00 0.00 H new ATOM 0 HD2 ARG A 10 5.666 -11.092 -6.143 1.00 0.00 H new ATOM 0 HD3 ARG A 10 6.432 -10.845 -7.700 1.00 0.00 H new ATOM 0 HE ARG A 10 8.114 -12.619 -6.312 1.00 0.00 H new ATOM 0 HH11 ARG A 10 4.755 -12.523 -7.406 1.00 0.00 H new ATOM 0 HH12 ARG A 10 4.655 -14.274 -7.617 1.00 0.00 H new ATOM 0 HH21 ARG A 10 7.972 -14.865 -6.584 1.00 0.00 H new ATOM 0 HH22 ARG A 10 6.466 -15.593 -7.154 1.00 0.00 H new ATOM 191 N SER A 11 6.360 -7.754 -7.725 1.00 0.00 N ATOM 192 CA SER A 11 5.949 -7.860 -9.115 1.00 0.00 C ATOM 193 C SER A 11 5.943 -9.310 -9.574 1.00 0.00 C ATOM 194 O SER A 11 6.890 -9.783 -10.203 1.00 0.00 O ATOM 195 CB SER A 11 6.871 -7.052 -10.010 1.00 0.00 C ATOM 196 OG SER A 11 7.094 -5.754 -9.486 1.00 0.00 O ATOM 0 H SER A 11 7.237 -7.254 -7.577 1.00 0.00 H new ATOM 0 HA SER A 11 4.937 -7.462 -9.189 1.00 0.00 H new ATOM 0 HB2 SER A 11 7.823 -7.571 -10.117 1.00 0.00 H new ATOM 0 HB3 SER A 11 6.437 -6.974 -11.007 1.00 0.00 H new ATOM 0 HG SER A 11 7.693 -5.259 -10.083 1.00 0.00 H new ATOM 202 N GLY A 12 4.867 -10.005 -9.254 1.00 0.00 N ATOM 203 CA GLY A 12 4.737 -11.399 -9.636 1.00 0.00 C ATOM 204 C GLY A 12 4.565 -11.575 -11.132 1.00 0.00 C ATOM 205 O GLY A 12 4.989 -10.725 -11.916 1.00 0.00 O ATOM 0 H GLY A 12 4.074 -9.630 -8.733 1.00 0.00 H new ATOM 0 HA2 GLY A 12 5.620 -11.947 -9.308 1.00 0.00 H new ATOM 0 HA3 GLY A 12 3.881 -11.836 -9.121 1.00 0.00 H new ATOM 209 N GLY A 13 3.940 -12.678 -11.529 1.00 0.00 N ATOM 210 CA GLY A 13 3.725 -12.939 -12.940 1.00 0.00 C ATOM 211 C GLY A 13 2.439 -12.322 -13.454 1.00 0.00 C ATOM 212 O GLY A 13 2.455 -11.250 -14.058 1.00 0.00 O ATOM 0 H GLY A 13 3.579 -13.395 -10.900 1.00 0.00 H new ATOM 0 HA2 GLY A 13 4.566 -12.547 -13.511 1.00 0.00 H new ATOM 0 HA3 GLY A 13 3.700 -14.016 -13.108 1.00 0.00 H new ATOM 216 N GLU A 14 1.323 -13.000 -13.214 1.00 0.00 N ATOM 217 CA GLU A 14 0.020 -12.514 -13.656 1.00 0.00 C ATOM 218 C GLU A 14 -0.489 -11.401 -12.744 1.00 0.00 C ATOM 219 O GLU A 14 -1.315 -10.583 -13.153 1.00 0.00 O ATOM 220 CB GLU A 14 -0.989 -13.664 -13.688 1.00 0.00 C ATOM 221 CG GLU A 14 -2.321 -13.286 -14.316 1.00 0.00 C ATOM 222 CD GLU A 14 -3.482 -14.067 -13.733 1.00 0.00 C ATOM 223 OE1 GLU A 14 -3.332 -15.291 -13.531 1.00 0.00 O ATOM 224 OE2 GLU A 14 -4.540 -13.456 -13.479 1.00 0.00 O ATOM 0 H GLU A 14 1.294 -13.889 -12.715 1.00 0.00 H new ATOM 0 HA GLU A 14 0.134 -12.108 -14.661 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -0.559 -14.498 -14.242 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -1.162 -14.013 -12.670 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -2.497 -12.220 -14.173 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -2.274 -13.460 -15.391 1.00 0.00 H new ATOM 231 N LYS A 15 0.005 -11.374 -11.510 1.00 0.00 N ATOM 232 CA LYS A 15 -0.404 -10.361 -10.544 1.00 0.00 C ATOM 233 C LYS A 15 0.733 -10.040 -9.581 1.00 0.00 C ATOM 234 O LYS A 15 1.838 -10.571 -9.709 1.00 0.00 O ATOM 235 CB LYS A 15 -1.632 -10.837 -9.762 1.00 0.00 C ATOM 236 CG LYS A 15 -1.566 -12.299 -9.352 1.00 0.00 C ATOM 237 CD LYS A 15 -2.506 -13.157 -10.185 1.00 0.00 C ATOM 238 CE LYS A 15 -3.757 -13.532 -9.408 1.00 0.00 C ATOM 239 NZ LYS A 15 -4.968 -13.540 -10.274 1.00 0.00 N ATOM 0 H LYS A 15 0.689 -12.042 -11.156 1.00 0.00 H new ATOM 0 HA LYS A 15 -0.660 -9.454 -11.092 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -1.743 -10.223 -8.868 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -2.523 -10.679 -10.370 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -0.545 -12.663 -9.464 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -1.824 -12.394 -8.297 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -2.787 -12.617 -11.089 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -1.989 -14.063 -10.502 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -3.624 -14.517 -8.960 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -3.901 -12.827 -8.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -5.503 -14.418 -10.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -5.567 -12.722 -10.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -4.681 -13.485 -11.272 1.00 0.00 H new ATOM 253 N ALA A 16 0.456 -9.168 -8.621 1.00 0.00 N ATOM 254 CA ALA A 16 1.454 -8.772 -7.636 1.00 0.00 C ATOM 255 C ALA A 16 1.346 -9.620 -6.376 1.00 0.00 C ATOM 256 O ALA A 16 0.273 -9.734 -5.786 1.00 0.00 O ATOM 257 CB ALA A 16 1.293 -7.299 -7.297 1.00 0.00 C ATOM 0 H ALA A 16 -0.453 -8.721 -8.503 1.00 0.00 H new ATOM 0 HA ALA A 16 2.443 -8.933 -8.066 1.00 0.00 H new ATOM 0 HB1 ALA A 16 2.043 -7.011 -6.560 1.00 0.00 H new ATOM 0 HB2 ALA A 16 1.423 -6.702 -8.199 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.297 -7.126 -6.888 1.00 0.00 H new ATOM 263 N LEU A 17 2.464 -10.211 -5.961 1.00 0.00 N ATOM 264 CA LEU A 17 2.476 -11.044 -4.766 1.00 0.00 C ATOM 265 C LEU A 17 2.219 -10.198 -3.524 1.00 0.00 C ATOM 266 O LEU A 17 2.949 -9.247 -3.252 1.00 0.00 O ATOM 267 CB LEU A 17 3.808 -11.782 -4.627 1.00 0.00 C ATOM 268 CG LEU A 17 3.835 -12.867 -3.544 1.00 0.00 C ATOM 269 CD1 LEU A 17 5.026 -13.791 -3.741 1.00 0.00 C ATOM 270 CD2 LEU A 17 3.868 -12.241 -2.156 1.00 0.00 C ATOM 0 H LEU A 17 3.365 -10.128 -6.431 1.00 0.00 H new ATOM 0 HA LEU A 17 1.680 -11.782 -4.864 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.055 -12.239 -5.585 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.589 -11.054 -4.411 1.00 0.00 H new ATOM 0 HG LEU A 17 2.924 -13.458 -3.631 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.027 -14.554 -2.963 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.958 -14.270 -4.718 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.948 -13.213 -3.684 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.887 -13.028 -1.402 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.760 -11.622 -2.057 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.981 -11.624 -2.014 1.00 0.00 H new ATOM 282 N GLU A 18 1.176 -10.545 -2.779 1.00 0.00 N ATOM 283 CA GLU A 18 0.820 -9.809 -1.569 1.00 0.00 C ATOM 284 C GLU A 18 1.943 -9.854 -0.534 1.00 0.00 C ATOM 285 O GLU A 18 2.073 -10.824 0.213 1.00 0.00 O ATOM 286 CB GLU A 18 -0.464 -10.376 -0.964 1.00 0.00 C ATOM 287 CG GLU A 18 -0.459 -11.890 -0.832 1.00 0.00 C ATOM 288 CD GLU A 18 -1.198 -12.370 0.402 1.00 0.00 C ATOM 289 OE1 GLU A 18 -0.638 -12.255 1.512 1.00 0.00 O ATOM 290 OE2 GLU A 18 -2.337 -12.861 0.257 1.00 0.00 O ATOM 0 H GLU A 18 0.561 -11.331 -2.990 1.00 0.00 H new ATOM 0 HA GLU A 18 0.660 -8.768 -1.851 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.617 -9.935 0.021 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.310 -10.077 -1.583 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.916 -12.330 -1.719 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.571 -12.244 -0.795 1.00 0.00 H new ATOM 297 N LEU A 19 2.744 -8.792 -0.488 1.00 0.00 N ATOM 298 CA LEU A 19 3.847 -8.701 0.463 1.00 0.00 C ATOM 299 C LEU A 19 3.347 -8.219 1.822 1.00 0.00 C ATOM 300 O LEU A 19 3.720 -8.758 2.863 1.00 0.00 O ATOM 301 CB LEU A 19 4.932 -7.771 -0.072 1.00 0.00 C ATOM 302 CG LEU A 19 5.705 -8.319 -1.272 1.00 0.00 C ATOM 303 CD1 LEU A 19 6.780 -7.338 -1.713 1.00 0.00 C ATOM 304 CD2 LEU A 19 6.315 -9.674 -0.940 1.00 0.00 C ATOM 0 H LEU A 19 2.649 -7.981 -1.100 1.00 0.00 H new ATOM 0 HA LEU A 19 4.276 -9.695 0.592 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.473 -6.823 -0.354 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.637 -7.557 0.731 1.00 0.00 H new ATOM 0 HG LEU A 19 5.007 -8.451 -2.099 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.318 -7.748 -2.568 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.316 -6.393 -1.995 1.00 0.00 H new ATOM 0 HD13 LEU A 19 7.477 -7.169 -0.892 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.861 -10.049 -1.805 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.998 -9.569 -0.097 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.523 -10.376 -0.679 1.00 0.00 H new ATOM 316 N SER A 20 2.482 -7.214 1.799 1.00 0.00 N ATOM 317 CA SER A 20 1.906 -6.667 3.020 1.00 0.00 C ATOM 318 C SER A 20 0.492 -6.174 2.742 1.00 0.00 C ATOM 319 O SER A 20 0.263 -5.452 1.773 1.00 0.00 O ATOM 320 CB SER A 20 2.763 -5.523 3.559 1.00 0.00 C ATOM 321 OG SER A 20 2.316 -5.112 4.839 1.00 0.00 O ATOM 0 H SER A 20 2.163 -6.759 0.944 1.00 0.00 H new ATOM 0 HA SER A 20 1.874 -7.454 3.774 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.804 -5.841 3.618 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.726 -4.680 2.869 1.00 0.00 H new ATOM 0 HG SER A 20 2.713 -5.689 5.525 1.00 0.00 H new ATOM 327 N GLU A 21 -0.460 -6.581 3.575 1.00 0.00 N ATOM 328 CA GLU A 21 -1.843 -6.178 3.369 1.00 0.00 C ATOM 329 C GLU A 21 -2.433 -5.469 4.584 1.00 0.00 C ATOM 330 O GLU A 21 -2.664 -6.077 5.629 1.00 0.00 O ATOM 331 CB GLU A 21 -2.690 -7.404 3.020 1.00 0.00 C ATOM 332 CG GLU A 21 -4.149 -7.081 2.753 1.00 0.00 C ATOM 333 CD GLU A 21 -5.081 -8.198 3.181 1.00 0.00 C ATOM 334 OE1 GLU A 21 -4.884 -8.746 4.286 1.00 0.00 O ATOM 335 OE2 GLU A 21 -6.008 -8.526 2.411 1.00 0.00 O ATOM 0 H GLU A 21 -0.302 -7.180 4.386 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.855 -5.466 2.544 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.267 -7.888 2.140 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.630 -8.121 3.838 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.417 -6.166 3.281 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.286 -6.886 1.689 1.00 0.00 H new ATOM 342 N VAL A 22 -2.702 -4.180 4.412 1.00 0.00 N ATOM 343 CA VAL A 22 -3.300 -3.360 5.450 1.00 0.00 C ATOM 344 C VAL A 22 -4.494 -2.608 4.871 1.00 0.00 C ATOM 345 O VAL A 22 -4.408 -2.043 3.781 1.00 0.00 O ATOM 346 CB VAL A 22 -2.274 -2.374 6.039 1.00 0.00 C ATOM 347 CG1 VAL A 22 -1.828 -1.347 5.012 1.00 0.00 C ATOM 348 CG2 VAL A 22 -2.831 -1.688 7.275 1.00 0.00 C ATOM 0 H VAL A 22 -2.510 -3.676 3.546 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.636 -4.007 6.260 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.397 -2.952 6.330 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.105 -0.669 5.465 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.368 -1.856 4.165 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.692 -0.778 4.668 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.088 -0.997 7.673 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.734 -1.138 7.010 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.071 -2.437 8.030 1.00 0.00 H new ATOM 358 N LYS A 23 -5.617 -2.627 5.577 1.00 0.00 N ATOM 359 CA LYS A 23 -6.819 -1.965 5.083 1.00 0.00 C ATOM 360 C LYS A 23 -7.334 -0.904 6.035 1.00 0.00 C ATOM 361 O LYS A 23 -7.007 -0.890 7.222 1.00 0.00 O ATOM 362 CB LYS A 23 -7.937 -2.982 4.852 1.00 0.00 C ATOM 363 CG LYS A 23 -7.492 -4.224 4.097 1.00 0.00 C ATOM 364 CD LYS A 23 -8.034 -5.493 4.738 1.00 0.00 C ATOM 365 CE LYS A 23 -9.544 -5.592 4.588 1.00 0.00 C ATOM 366 NZ LYS A 23 -10.196 -6.072 5.838 1.00 0.00 N ATOM 0 H LYS A 23 -5.722 -3.087 6.481 1.00 0.00 H new ATOM 0 HA LYS A 23 -6.536 -1.484 4.147 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.347 -3.282 5.816 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.744 -2.501 4.298 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.833 -4.164 3.063 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.403 -4.265 4.072 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.564 -6.363 4.279 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.771 -5.509 5.796 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.947 -4.615 4.320 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.784 -6.271 3.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.225 -6.126 5.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -9.831 -7.015 6.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -9.989 -5.411 6.614 1.00 0.00 H new ATOM 380 N ASP A 24 -8.188 -0.047 5.497 1.00 0.00 N ATOM 381 CA ASP A 24 -8.821 1.000 6.269 1.00 0.00 C ATOM 382 C ASP A 24 -10.308 1.001 5.944 1.00 0.00 C ATOM 383 O ASP A 24 -10.715 1.402 4.853 1.00 0.00 O ATOM 384 CB ASP A 24 -8.200 2.362 5.947 1.00 0.00 C ATOM 385 CG ASP A 24 -7.576 3.015 7.164 1.00 0.00 C ATOM 386 OD1 ASP A 24 -8.067 2.769 8.287 1.00 0.00 O ATOM 387 OD2 ASP A 24 -6.599 3.774 6.996 1.00 0.00 O ATOM 0 H ASP A 24 -8.459 -0.061 4.514 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.672 0.815 7.333 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -7.441 2.239 5.175 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -8.967 3.020 5.538 1.00 0.00 H new ATOM 392 N LEU A 25 -11.112 0.532 6.887 1.00 0.00 N ATOM 393 CA LEU A 25 -12.552 0.457 6.693 1.00 0.00 C ATOM 394 C LEU A 25 -13.294 1.204 7.794 1.00 0.00 C ATOM 395 O LEU A 25 -13.794 0.601 8.745 1.00 0.00 O ATOM 396 CB LEU A 25 -12.998 -1.003 6.650 1.00 0.00 C ATOM 397 CG LEU A 25 -12.527 -1.779 5.418 1.00 0.00 C ATOM 398 CD1 LEU A 25 -12.459 -3.269 5.713 1.00 0.00 C ATOM 399 CD2 LEU A 25 -13.450 -1.506 4.240 1.00 0.00 C ATOM 0 H LEU A 25 -10.791 0.197 7.795 1.00 0.00 H new ATOM 0 HA LEU A 25 -12.794 0.932 5.742 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -12.630 -1.508 7.543 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -14.087 -1.038 6.690 1.00 0.00 H new ATOM 0 HG LEU A 25 -11.524 -1.441 5.159 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -12.122 -3.801 4.823 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -11.759 -3.447 6.529 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -13.448 -3.629 5.998 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -13.104 -2.064 3.370 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -14.463 -1.818 4.492 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -13.445 -0.440 4.013 1.00 0.00 H new ATOM 411 N SER A 26 -13.346 2.522 7.661 1.00 0.00 N ATOM 412 CA SER A 26 -14.012 3.371 8.646 1.00 0.00 C ATOM 413 C SER A 26 -15.528 3.413 8.441 1.00 0.00 C ATOM 414 O SER A 26 -16.289 3.083 9.351 1.00 0.00 O ATOM 415 CB SER A 26 -13.442 4.790 8.585 1.00 0.00 C ATOM 416 OG SER A 26 -12.939 5.084 7.294 1.00 0.00 O ATOM 0 H SER A 26 -12.934 3.030 6.879 1.00 0.00 H new ATOM 0 HA SER A 26 -13.824 2.938 9.629 1.00 0.00 H new ATOM 0 HB2 SER A 26 -14.218 5.508 8.848 1.00 0.00 H new ATOM 0 HB3 SER A 26 -12.646 4.897 9.322 1.00 0.00 H new ATOM 0 HG SER A 26 -13.304 5.941 6.988 1.00 0.00 H new ATOM 422 N GLN A 27 -15.965 3.841 7.258 1.00 0.00 N ATOM 423 CA GLN A 27 -17.398 3.944 6.970 1.00 0.00 C ATOM 424 C GLN A 27 -17.989 2.614 6.506 1.00 0.00 C ATOM 425 O GLN A 27 -18.983 2.144 7.060 1.00 0.00 O ATOM 426 CB GLN A 27 -17.660 5.033 5.922 1.00 0.00 C ATOM 427 CG GLN A 27 -16.876 4.857 4.631 1.00 0.00 C ATOM 428 CD GLN A 27 -16.499 6.182 3.996 1.00 0.00 C ATOM 429 OE1 GLN A 27 -16.063 7.109 4.678 1.00 0.00 O ATOM 430 NE2 GLN A 27 -16.667 6.277 2.681 1.00 0.00 N ATOM 0 H GLN A 27 -15.356 4.120 6.489 1.00 0.00 H new ATOM 0 HA GLN A 27 -17.893 4.216 7.902 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -18.725 5.048 5.688 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -17.415 6.003 6.354 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -15.971 4.285 4.834 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -17.469 4.275 3.926 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -17.032 5.483 2.155 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -16.431 7.144 2.198 1.00 0.00 H new ATOM 439 N PHE A 28 -17.377 2.021 5.483 1.00 0.00 N ATOM 440 CA PHE A 28 -17.835 0.739 4.919 1.00 0.00 C ATOM 441 C PHE A 28 -18.442 -0.163 5.994 1.00 0.00 C ATOM 442 O PHE A 28 -17.749 -0.610 6.907 1.00 0.00 O ATOM 443 CB PHE A 28 -16.679 0.008 4.228 1.00 0.00 C ATOM 444 CG PHE A 28 -15.651 0.926 3.634 1.00 0.00 C ATOM 445 CD1 PHE A 28 -14.630 1.422 4.418 1.00 0.00 C ATOM 446 CD2 PHE A 28 -15.712 1.299 2.301 1.00 0.00 C ATOM 447 CE1 PHE A 28 -13.681 2.273 3.891 1.00 0.00 C ATOM 448 CE2 PHE A 28 -14.767 2.153 1.766 1.00 0.00 C ATOM 449 CZ PHE A 28 -13.749 2.639 2.564 1.00 0.00 C ATOM 0 H PHE A 28 -16.554 2.407 5.020 1.00 0.00 H new ATOM 0 HA PHE A 28 -18.608 0.967 4.185 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -16.193 -0.648 4.950 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -17.083 -0.628 3.440 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -14.573 1.140 5.459 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -16.505 0.919 1.675 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -12.886 2.652 4.517 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -14.824 2.440 0.726 1.00 0.00 H new ATOM 0 HZ PHE A 28 -13.007 3.305 2.148 1.00 0.00 H new ATOM 459 N GLY A 29 -19.743 -0.419 5.881 1.00 0.00 N ATOM 460 CA GLY A 29 -20.428 -1.257 6.851 1.00 0.00 C ATOM 461 C GLY A 29 -19.775 -2.616 7.025 1.00 0.00 C ATOM 462 O GLY A 29 -18.704 -2.873 6.477 1.00 0.00 O ATOM 0 H GLY A 29 -20.336 -0.060 5.133 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -20.451 -0.745 7.813 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -21.463 -1.395 6.538 1.00 0.00 H new ATOM 466 N PHE A 30 -20.425 -3.487 7.794 1.00 0.00 N ATOM 467 CA PHE A 30 -19.904 -4.827 8.043 1.00 0.00 C ATOM 468 C PHE A 30 -19.824 -5.628 6.747 1.00 0.00 C ATOM 469 O PHE A 30 -18.783 -6.203 6.426 1.00 0.00 O ATOM 470 CB PHE A 30 -20.779 -5.561 9.062 1.00 0.00 C ATOM 471 CG PHE A 30 -22.218 -5.683 8.647 1.00 0.00 C ATOM 472 CD1 PHE A 30 -23.129 -4.686 8.960 1.00 0.00 C ATOM 473 CD2 PHE A 30 -22.659 -6.792 7.944 1.00 0.00 C ATOM 474 CE1 PHE A 30 -24.453 -4.795 8.579 1.00 0.00 C ATOM 475 CE2 PHE A 30 -23.981 -6.906 7.561 1.00 0.00 C ATOM 476 CZ PHE A 30 -24.880 -5.907 7.878 1.00 0.00 C ATOM 0 H PHE A 30 -21.313 -3.288 8.255 1.00 0.00 H new ATOM 0 HA PHE A 30 -18.898 -4.728 8.450 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -20.372 -6.559 9.225 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -20.729 -5.036 10.016 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -22.801 -3.815 9.507 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -21.961 -7.577 7.692 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -25.153 -4.012 8.829 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -24.312 -7.776 7.014 1.00 0.00 H new ATOM 0 HZ PHE A 30 -25.914 -5.994 7.579 1.00 0.00 H new ATOM 486 N PHE A 31 -20.922 -5.655 5.999 1.00 0.00 N ATOM 487 CA PHE A 31 -20.964 -6.378 4.735 1.00 0.00 C ATOM 488 C PHE A 31 -20.078 -5.685 3.710 1.00 0.00 C ATOM 489 O PHE A 31 -19.341 -6.335 2.968 1.00 0.00 O ATOM 490 CB PHE A 31 -22.401 -6.470 4.216 1.00 0.00 C ATOM 491 CG PHE A 31 -22.986 -5.146 3.814 1.00 0.00 C ATOM 492 CD1 PHE A 31 -23.555 -4.309 4.761 1.00 0.00 C ATOM 493 CD2 PHE A 31 -22.968 -4.739 2.489 1.00 0.00 C ATOM 494 CE1 PHE A 31 -24.095 -3.091 4.394 1.00 0.00 C ATOM 495 CE2 PHE A 31 -23.507 -3.522 2.116 1.00 0.00 C ATOM 496 CZ PHE A 31 -24.070 -2.697 3.069 1.00 0.00 C ATOM 0 H PHE A 31 -21.793 -5.185 6.246 1.00 0.00 H new ATOM 0 HA PHE A 31 -20.592 -7.389 4.899 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -22.425 -7.143 3.359 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -23.029 -6.915 4.988 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -23.577 -4.612 5.797 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -22.528 -5.380 1.740 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -24.536 -2.448 5.141 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -23.488 -3.217 1.080 1.00 0.00 H new ATOM 0 HZ PHE A 31 -24.490 -1.745 2.780 1.00 0.00 H new ATOM 506 N GLU A 32 -20.146 -4.360 3.685 1.00 0.00 N ATOM 507 CA GLU A 32 -19.341 -3.571 2.766 1.00 0.00 C ATOM 508 C GLU A 32 -17.861 -3.760 3.071 1.00 0.00 C ATOM 509 O GLU A 32 -17.044 -3.905 2.166 1.00 0.00 O ATOM 510 CB GLU A 32 -19.713 -2.090 2.866 1.00 0.00 C ATOM 511 CG GLU A 32 -19.263 -1.267 1.670 1.00 0.00 C ATOM 512 CD GLU A 32 -20.213 -0.128 1.355 1.00 0.00 C ATOM 513 OE1 GLU A 32 -21.165 -0.347 0.578 1.00 0.00 O ATOM 514 OE2 GLU A 32 -20.004 0.983 1.886 1.00 0.00 O ATOM 0 H GLU A 32 -20.752 -3.810 4.293 1.00 0.00 H new ATOM 0 HA GLU A 32 -19.539 -3.912 1.750 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -20.794 -2.002 2.971 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -19.270 -1.673 3.771 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -18.269 -0.863 1.865 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -19.178 -1.916 0.798 1.00 0.00 H new ATOM 521 N ARG A 33 -17.527 -3.769 4.360 1.00 0.00 N ATOM 522 CA ARG A 33 -16.146 -3.953 4.794 1.00 0.00 C ATOM 523 C ARG A 33 -15.505 -5.135 4.074 1.00 0.00 C ATOM 524 O ARG A 33 -14.323 -5.107 3.732 1.00 0.00 O ATOM 525 CB ARG A 33 -16.097 -4.181 6.308 1.00 0.00 C ATOM 526 CG ARG A 33 -15.597 -2.980 7.093 1.00 0.00 C ATOM 527 CD ARG A 33 -15.883 -3.126 8.579 1.00 0.00 C ATOM 528 NE ARG A 33 -14.777 -2.637 9.398 1.00 0.00 N ATOM 529 CZ ARG A 33 -14.568 -3.005 10.660 1.00 0.00 C ATOM 530 NH1 ARG A 33 -15.388 -3.862 11.254 1.00 0.00 N ATOM 531 NH2 ARG A 33 -13.534 -2.514 11.331 1.00 0.00 N ATOM 0 H ARG A 33 -18.195 -3.651 5.122 1.00 0.00 H new ATOM 0 HA ARG A 33 -15.587 -3.051 4.546 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -17.095 -4.443 6.659 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -15.452 -5.034 6.517 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -14.524 -2.864 6.938 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -16.073 -2.075 6.717 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -16.791 -2.577 8.830 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -16.071 -4.174 8.811 1.00 0.00 H new ATOM 0 HE ARG A 33 -14.126 -1.974 8.978 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -16.184 -4.243 10.743 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -15.222 -4.140 12.221 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -12.900 -1.855 10.880 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -13.373 -2.796 12.298 1.00 0.00 H new ATOM 545 N SER A 34 -16.302 -6.173 3.848 1.00 0.00 N ATOM 546 CA SER A 34 -15.830 -7.374 3.170 1.00 0.00 C ATOM 547 C SER A 34 -15.623 -7.113 1.682 1.00 0.00 C ATOM 548 O SER A 34 -14.524 -7.299 1.153 1.00 0.00 O ATOM 549 CB SER A 34 -16.834 -8.512 3.368 1.00 0.00 C ATOM 550 OG SER A 34 -16.322 -9.737 2.872 1.00 0.00 O ATOM 0 H SER A 34 -17.283 -6.206 4.126 1.00 0.00 H new ATOM 0 HA SER A 34 -14.871 -7.660 3.603 1.00 0.00 H new ATOM 0 HB2 SER A 34 -17.068 -8.615 4.428 1.00 0.00 H new ATOM 0 HB3 SER A 34 -17.767 -8.271 2.858 1.00 0.00 H new ATOM 0 HG SER A 34 -16.982 -10.448 3.012 1.00 0.00 H new ATOM 556 N SER A 35 -16.686 -6.681 1.011 1.00 0.00 N ATOM 557 CA SER A 35 -16.628 -6.395 -0.418 1.00 0.00 C ATOM 558 C SER A 35 -15.518 -5.397 -0.735 1.00 0.00 C ATOM 559 O SER A 35 -14.672 -5.647 -1.596 1.00 0.00 O ATOM 560 CB SER A 35 -17.972 -5.850 -0.904 1.00 0.00 C ATOM 561 OG SER A 35 -17.897 -5.443 -2.260 1.00 0.00 O ATOM 0 H SER A 35 -17.600 -6.521 1.435 1.00 0.00 H new ATOM 0 HA SER A 35 -16.409 -7.327 -0.938 1.00 0.00 H new ATOM 0 HB2 SER A 35 -18.740 -6.615 -0.793 1.00 0.00 H new ATOM 0 HB3 SER A 35 -18.271 -5.005 -0.283 1.00 0.00 H new ATOM 0 HG SER A 35 -18.769 -5.100 -2.547 1.00 0.00 H new ATOM 567 N VAL A 36 -15.523 -4.265 -0.037 1.00 0.00 N ATOM 568 CA VAL A 36 -14.510 -3.240 -0.255 1.00 0.00 C ATOM 569 C VAL A 36 -13.113 -3.808 -0.045 1.00 0.00 C ATOM 570 O VAL A 36 -12.217 -3.583 -0.857 1.00 0.00 O ATOM 571 CB VAL A 36 -14.686 -2.016 0.670 1.00 0.00 C ATOM 572 CG1 VAL A 36 -13.951 -0.819 0.090 1.00 0.00 C ATOM 573 CG2 VAL A 36 -16.156 -1.682 0.887 1.00 0.00 C ATOM 0 H VAL A 36 -16.212 -4.036 0.679 1.00 0.00 H new ATOM 0 HA VAL A 36 -14.636 -2.910 -1.286 1.00 0.00 H new ATOM 0 HB VAL A 36 -14.260 -2.265 1.642 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -14.080 0.041 0.748 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -12.890 -1.052 0.001 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -14.356 -0.586 -0.895 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -16.239 -0.815 1.543 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -16.624 -1.458 -0.072 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -16.659 -2.534 1.345 1.00 0.00 H new ATOM 583 N GLY A 37 -12.934 -4.553 1.045 1.00 0.00 N ATOM 584 CA GLY A 37 -11.639 -5.146 1.331 1.00 0.00 C ATOM 585 C GLY A 37 -11.059 -5.843 0.120 1.00 0.00 C ATOM 586 O GLY A 37 -9.921 -5.581 -0.270 1.00 0.00 O ATOM 0 H GLY A 37 -13.660 -4.755 1.732 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.951 -4.371 1.668 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.739 -5.860 2.148 1.00 0.00 H new ATOM 590 N GLN A 38 -11.853 -6.714 -0.495 1.00 0.00 N ATOM 591 CA GLN A 38 -11.412 -7.422 -1.689 1.00 0.00 C ATOM 592 C GLN A 38 -11.070 -6.412 -2.776 1.00 0.00 C ATOM 593 O GLN A 38 -10.138 -6.608 -3.557 1.00 0.00 O ATOM 594 CB GLN A 38 -12.500 -8.379 -2.181 1.00 0.00 C ATOM 595 CG GLN A 38 -12.629 -9.633 -1.334 1.00 0.00 C ATOM 596 CD GLN A 38 -12.749 -10.893 -2.171 1.00 0.00 C ATOM 597 OE1 GLN A 38 -12.162 -11.925 -1.846 1.00 0.00 O ATOM 598 NE2 GLN A 38 -13.513 -10.814 -3.254 1.00 0.00 N ATOM 0 H GLN A 38 -12.798 -6.945 -0.188 1.00 0.00 H new ATOM 0 HA GLN A 38 -10.527 -8.010 -1.447 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -13.456 -7.856 -2.190 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -12.283 -8.665 -3.210 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -11.760 -9.717 -0.681 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -13.504 -9.544 -0.691 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -13.981 -9.938 -3.485 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -13.632 -11.630 -3.855 1.00 0.00 H new ATOM 607 N PHE A 39 -11.826 -5.319 -2.799 1.00 0.00 N ATOM 608 CA PHE A 39 -11.609 -4.253 -3.764 1.00 0.00 C ATOM 609 C PHE A 39 -10.246 -3.609 -3.542 1.00 0.00 C ATOM 610 O PHE A 39 -9.494 -3.359 -4.486 1.00 0.00 O ATOM 611 CB PHE A 39 -12.711 -3.199 -3.637 1.00 0.00 C ATOM 612 CG PHE A 39 -13.470 -2.971 -4.911 1.00 0.00 C ATOM 613 CD1 PHE A 39 -12.827 -2.484 -6.036 1.00 0.00 C ATOM 614 CD2 PHE A 39 -14.826 -3.244 -4.982 1.00 0.00 C ATOM 615 CE1 PHE A 39 -13.522 -2.272 -7.210 1.00 0.00 C ATOM 616 CE2 PHE A 39 -15.528 -3.034 -6.153 1.00 0.00 C ATOM 617 CZ PHE A 39 -14.875 -2.547 -7.270 1.00 0.00 C ATOM 0 H PHE A 39 -12.599 -5.150 -2.155 1.00 0.00 H new ATOM 0 HA PHE A 39 -11.637 -4.678 -4.767 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -13.409 -3.506 -2.858 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -12.267 -2.257 -3.314 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -11.770 -2.267 -5.995 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -15.340 -3.625 -4.112 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -13.009 -1.892 -8.081 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -16.585 -3.250 -6.196 1.00 0.00 H new ATOM 0 HZ PHE A 39 -15.421 -2.382 -8.187 1.00 0.00 H new ATOM 627 N MET A 40 -9.944 -3.345 -2.277 1.00 0.00 N ATOM 628 CA MET A 40 -8.683 -2.728 -1.892 1.00 0.00 C ATOM 629 C MET A 40 -7.487 -3.564 -2.337 1.00 0.00 C ATOM 630 O MET A 40 -6.578 -3.062 -2.999 1.00 0.00 O ATOM 631 CB MET A 40 -8.642 -2.530 -0.377 1.00 0.00 C ATOM 632 CG MET A 40 -9.414 -1.309 0.098 1.00 0.00 C ATOM 633 SD MET A 40 -9.802 -1.374 1.858 1.00 0.00 S ATOM 634 CE MET A 40 -11.555 -1.729 1.799 1.00 0.00 C ATOM 0 H MET A 40 -10.563 -3.552 -1.493 1.00 0.00 H new ATOM 0 HA MET A 40 -8.619 -1.761 -2.391 1.00 0.00 H new ATOM 0 HB2 MET A 40 -9.048 -3.418 0.108 1.00 0.00 H new ATOM 0 HB3 MET A 40 -7.603 -2.439 -0.059 1.00 0.00 H new ATOM 0 HG2 MET A 40 -8.830 -0.412 -0.109 1.00 0.00 H new ATOM 0 HG3 MET A 40 -10.340 -1.225 -0.471 1.00 0.00 H new ATOM 0 HE1 MET A 40 -12.118 -0.812 1.975 1.00 0.00 H new ATOM 0 HE2 MET A 40 -11.812 -2.130 0.819 1.00 0.00 H new ATOM 0 HE3 MET A 40 -11.804 -2.461 2.567 1.00 0.00 H new ATOM 644 N THR A 41 -7.484 -4.838 -1.956 1.00 0.00 N ATOM 645 CA THR A 41 -6.388 -5.739 -2.302 1.00 0.00 C ATOM 646 C THR A 41 -6.288 -5.957 -3.809 1.00 0.00 C ATOM 647 O THR A 41 -5.271 -5.637 -4.418 1.00 0.00 O ATOM 648 CB THR A 41 -6.575 -7.082 -1.606 1.00 0.00 C ATOM 649 OG1 THR A 41 -7.303 -6.926 -0.400 1.00 0.00 O ATOM 650 CG2 THR A 41 -5.271 -7.773 -1.272 1.00 0.00 C ATOM 0 H THR A 41 -8.228 -5.270 -1.408 1.00 0.00 H new ATOM 0 HA THR A 41 -5.462 -5.272 -1.965 1.00 0.00 H new ATOM 0 HB THR A 41 -7.120 -7.701 -2.318 1.00 0.00 H new ATOM 0 HG1 THR A 41 -7.414 -7.799 0.031 1.00 0.00 H new ATOM 0 HG21 THR A 41 -5.478 -8.723 -0.779 1.00 0.00 H new ATOM 0 HG22 THR A 41 -4.711 -7.955 -2.189 1.00 0.00 H new ATOM 0 HG23 THR A 41 -4.683 -7.140 -0.608 1.00 0.00 H new ATOM 658 N PHE A 42 -7.344 -6.510 -4.402 1.00 0.00 N ATOM 659 CA PHE A 42 -7.375 -6.783 -5.841 1.00 0.00 C ATOM 660 C PHE A 42 -6.764 -5.632 -6.638 1.00 0.00 C ATOM 661 O PHE A 42 -5.968 -5.845 -7.553 1.00 0.00 O ATOM 662 CB PHE A 42 -8.812 -7.027 -6.303 1.00 0.00 C ATOM 663 CG PHE A 42 -8.920 -7.997 -7.445 1.00 0.00 C ATOM 664 CD1 PHE A 42 -8.876 -9.363 -7.218 1.00 0.00 C ATOM 665 CD2 PHE A 42 -9.064 -7.542 -8.746 1.00 0.00 C ATOM 666 CE1 PHE A 42 -8.974 -10.258 -8.266 1.00 0.00 C ATOM 667 CE2 PHE A 42 -9.163 -8.431 -9.798 1.00 0.00 C ATOM 668 CZ PHE A 42 -9.118 -9.791 -9.558 1.00 0.00 C ATOM 0 H PHE A 42 -8.194 -6.780 -3.907 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.780 -7.678 -6.023 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -9.396 -7.402 -5.463 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -9.255 -6.077 -6.601 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -8.764 -9.733 -6.210 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -9.099 -6.480 -8.939 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -8.938 -11.320 -8.075 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -9.275 -8.064 -10.807 1.00 0.00 H new ATOM 0 HZ PHE A 42 -9.195 -10.488 -10.379 1.00 0.00 H new ATOM 678 N PHE A 43 -7.137 -4.414 -6.278 1.00 0.00 N ATOM 679 CA PHE A 43 -6.622 -3.233 -6.952 1.00 0.00 C ATOM 680 C PHE A 43 -5.157 -3.009 -6.597 1.00 0.00 C ATOM 681 O PHE A 43 -4.357 -2.624 -7.446 1.00 0.00 O ATOM 682 CB PHE A 43 -7.445 -2.001 -6.575 1.00 0.00 C ATOM 683 CG PHE A 43 -7.688 -1.063 -7.724 1.00 0.00 C ATOM 684 CD1 PHE A 43 -6.679 -0.783 -8.633 1.00 0.00 C ATOM 685 CD2 PHE A 43 -8.923 -0.461 -7.894 1.00 0.00 C ATOM 686 CE1 PHE A 43 -6.899 0.080 -9.690 1.00 0.00 C ATOM 687 CE2 PHE A 43 -9.149 0.403 -8.949 1.00 0.00 C ATOM 688 CZ PHE A 43 -8.136 0.673 -9.848 1.00 0.00 C ATOM 0 H PHE A 43 -7.794 -4.218 -5.523 1.00 0.00 H new ATOM 0 HA PHE A 43 -6.700 -3.393 -8.027 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -8.405 -2.325 -6.173 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -6.932 -1.461 -5.779 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -5.710 -1.245 -8.514 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -9.719 -0.669 -7.194 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -6.105 0.290 -10.391 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -10.117 0.867 -9.070 1.00 0.00 H new ATOM 0 HZ PHE A 43 -8.311 1.347 -10.673 1.00 0.00 H new ATOM 698 N ALA A 44 -4.816 -3.257 -5.335 1.00 0.00 N ATOM 699 CA ALA A 44 -3.447 -3.081 -4.860 1.00 0.00 C ATOM 700 C ALA A 44 -2.498 -4.083 -5.512 1.00 0.00 C ATOM 701 O ALA A 44 -1.353 -3.756 -5.840 1.00 0.00 O ATOM 702 CB ALA A 44 -3.408 -3.210 -3.349 1.00 0.00 C ATOM 0 H ALA A 44 -5.470 -3.581 -4.622 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.111 -2.083 -5.142 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.384 -3.078 -2.999 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.046 -2.447 -2.902 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.766 -4.198 -3.059 1.00 0.00 H new ATOM 708 N GLU A 45 -2.985 -5.298 -5.714 1.00 0.00 N ATOM 709 CA GLU A 45 -2.190 -6.338 -6.343 1.00 0.00 C ATOM 710 C GLU A 45 -2.006 -6.015 -7.819 1.00 0.00 C ATOM 711 O GLU A 45 -0.960 -6.293 -8.405 1.00 0.00 O ATOM 712 CB GLU A 45 -2.864 -7.699 -6.172 1.00 0.00 C ATOM 713 CG GLU A 45 -4.264 -7.755 -6.751 1.00 0.00 C ATOM 714 CD GLU A 45 -4.791 -9.170 -6.874 1.00 0.00 C ATOM 715 OE1 GLU A 45 -4.715 -9.920 -5.878 1.00 0.00 O ATOM 716 OE2 GLU A 45 -5.278 -9.530 -7.966 1.00 0.00 O ATOM 0 H GLU A 45 -3.927 -5.587 -5.451 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.212 -6.381 -5.864 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.250 -8.463 -6.650 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.908 -7.944 -5.111 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.937 -7.175 -6.120 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -4.265 -7.285 -7.734 1.00 0.00 H new ATOM 723 N THR A 46 -3.026 -5.397 -8.410 1.00 0.00 N ATOM 724 CA THR A 46 -2.966 -5.010 -9.811 1.00 0.00 C ATOM 725 C THR A 46 -1.898 -3.953 -10.006 1.00 0.00 C ATOM 726 O THR A 46 -0.985 -4.121 -10.807 1.00 0.00 O ATOM 727 CB THR A 46 -4.315 -4.458 -10.277 1.00 0.00 C ATOM 728 OG1 THR A 46 -5.257 -5.502 -10.452 1.00 0.00 O ATOM 729 CG2 THR A 46 -4.234 -3.683 -11.576 1.00 0.00 C ATOM 0 H THR A 46 -3.899 -5.156 -7.940 1.00 0.00 H new ATOM 0 HA THR A 46 -2.723 -5.893 -10.402 1.00 0.00 H new ATOM 0 HB THR A 46 -4.630 -3.775 -9.488 1.00 0.00 H new ATOM 0 HG1 THR A 46 -5.606 -5.777 -9.579 1.00 0.00 H new ATOM 0 HG21 THR A 46 -5.226 -3.321 -11.846 1.00 0.00 H new ATOM 0 HG22 THR A 46 -3.560 -2.835 -11.453 1.00 0.00 H new ATOM 0 HG23 THR A 46 -3.858 -4.334 -12.365 1.00 0.00 H new ATOM 737 N VAL A 47 -2.028 -2.855 -9.272 1.00 0.00 N ATOM 738 CA VAL A 47 -1.074 -1.759 -9.375 1.00 0.00 C ATOM 739 C VAL A 47 0.354 -2.271 -9.324 1.00 0.00 C ATOM 740 O VAL A 47 1.110 -2.107 -10.276 1.00 0.00 O ATOM 741 CB VAL A 47 -1.244 -0.694 -8.273 1.00 0.00 C ATOM 742 CG1 VAL A 47 -1.818 0.572 -8.843 1.00 0.00 C ATOM 743 CG2 VAL A 47 -2.110 -1.169 -7.131 1.00 0.00 C ATOM 0 H VAL A 47 -2.781 -2.700 -8.602 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.280 -1.290 -10.337 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.248 -0.502 -7.875 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.930 1.310 -8.049 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.149 0.962 -9.610 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.793 0.363 -9.284 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.195 -0.379 -6.385 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.102 -1.421 -7.507 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.660 -2.051 -6.675 1.00 0.00 H new ATOM 753 N ALA A 48 0.725 -2.905 -8.223 1.00 0.00 N ATOM 754 CA ALA A 48 2.070 -3.439 -8.104 1.00 0.00 C ATOM 755 C ALA A 48 2.360 -4.365 -9.282 1.00 0.00 C ATOM 756 O ALA A 48 3.502 -4.490 -9.725 1.00 0.00 O ATOM 757 CB ALA A 48 2.254 -4.149 -6.776 1.00 0.00 C ATOM 0 H ALA A 48 0.125 -3.060 -7.413 1.00 0.00 H new ATOM 0 HA ALA A 48 2.785 -2.617 -8.129 1.00 0.00 H new ATOM 0 HB1 ALA A 48 3.269 -4.540 -6.710 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.083 -3.446 -5.961 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.543 -4.971 -6.701 1.00 0.00 H new ATOM 763 N SER A 49 1.304 -4.997 -9.798 1.00 0.00 N ATOM 764 CA SER A 49 1.425 -5.896 -10.938 1.00 0.00 C ATOM 765 C SER A 49 1.520 -5.109 -12.247 1.00 0.00 C ATOM 766 O SER A 49 2.128 -5.569 -13.213 1.00 0.00 O ATOM 767 CB SER A 49 0.232 -6.850 -10.993 1.00 0.00 C ATOM 768 OG SER A 49 0.388 -7.798 -12.034 1.00 0.00 O ATOM 0 H SER A 49 0.354 -4.900 -9.440 1.00 0.00 H new ATOM 0 HA SER A 49 2.340 -6.475 -10.814 1.00 0.00 H new ATOM 0 HB2 SER A 49 0.130 -7.366 -10.038 1.00 0.00 H new ATOM 0 HB3 SER A 49 -0.685 -6.282 -11.148 1.00 0.00 H new ATOM 0 HG SER A 49 -0.471 -7.930 -12.487 1.00 0.00 H new ATOM 774 N ARG A 50 0.908 -3.924 -12.273 1.00 0.00 N ATOM 775 CA ARG A 50 0.920 -3.082 -13.465 1.00 0.00 C ATOM 776 C ARG A 50 2.113 -2.138 -13.457 1.00 0.00 C ATOM 777 O ARG A 50 2.636 -1.776 -14.511 1.00 0.00 O ATOM 778 CB ARG A 50 -0.387 -2.289 -13.588 1.00 0.00 C ATOM 779 CG ARG A 50 -0.482 -1.117 -12.630 1.00 0.00 C ATOM 780 CD ARG A 50 -1.824 -0.414 -12.728 1.00 0.00 C ATOM 781 NE ARG A 50 -2.197 -0.142 -14.114 1.00 0.00 N ATOM 782 CZ ARG A 50 -3.424 0.191 -14.501 1.00 0.00 C ATOM 783 NH1 ARG A 50 -4.405 0.291 -13.612 1.00 0.00 N ATOM 784 NH2 ARG A 50 -3.673 0.426 -15.782 1.00 0.00 N ATOM 0 H ARG A 50 0.399 -3.528 -11.482 1.00 0.00 H new ATOM 0 HA ARG A 50 1.009 -3.737 -14.332 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.483 -1.921 -14.609 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.227 -2.961 -13.411 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -0.330 -1.469 -11.610 1.00 0.00 H new ATOM 0 HG3 ARG A 50 0.317 -0.407 -12.845 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -2.592 -1.030 -12.260 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -1.784 0.523 -12.172 1.00 0.00 H new ATOM 0 HE ARG A 50 -1.472 -0.212 -14.828 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -4.219 0.112 -12.625 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -5.344 0.547 -13.916 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -2.923 0.351 -16.469 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -4.614 0.682 -16.080 1.00 0.00 H new ATOM 798 N THR A 51 2.549 -1.748 -12.268 1.00 0.00 N ATOM 799 CA THR A 51 3.687 -0.861 -12.145 1.00 0.00 C ATOM 800 C THR A 51 4.968 -1.648 -12.389 1.00 0.00 C ATOM 801 O THR A 51 5.380 -2.459 -11.560 1.00 0.00 O ATOM 802 CB THR A 51 3.700 -0.209 -10.760 1.00 0.00 C ATOM 803 OG1 THR A 51 2.485 0.481 -10.525 1.00 0.00 O ATOM 804 CG2 THR A 51 4.833 0.776 -10.570 1.00 0.00 C ATOM 0 H THR A 51 2.132 -2.032 -11.382 1.00 0.00 H new ATOM 0 HA THR A 51 3.615 -0.068 -12.889 1.00 0.00 H new ATOM 0 HB THR A 51 3.835 -1.028 -10.054 1.00 0.00 H new ATOM 0 HG1 THR A 51 1.765 -0.167 -10.376 1.00 0.00 H new ATOM 0 HG21 THR A 51 4.782 1.200 -9.567 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.786 0.263 -10.699 1.00 0.00 H new ATOM 0 HG23 THR A 51 4.748 1.575 -11.307 1.00 0.00 H new ATOM 812 N GLY A 52 5.582 -1.419 -13.545 1.00 0.00 N ATOM 813 CA GLY A 52 6.800 -2.132 -13.898 1.00 0.00 C ATOM 814 C GLY A 52 8.050 -1.568 -13.247 1.00 0.00 C ATOM 815 O GLY A 52 9.103 -1.498 -13.883 1.00 0.00 O ATOM 0 H GLY A 52 5.259 -0.752 -14.246 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.693 -3.178 -13.612 1.00 0.00 H new ATOM 0 HA3 GLY A 52 6.923 -2.108 -14.981 1.00 0.00 H new ATOM 819 N ALA A 53 7.945 -1.181 -11.980 1.00 0.00 N ATOM 820 CA ALA A 53 9.085 -0.636 -11.250 1.00 0.00 C ATOM 821 C ALA A 53 9.678 0.578 -11.956 1.00 0.00 C ATOM 822 O ALA A 53 9.473 0.779 -13.152 1.00 0.00 O ATOM 823 CB ALA A 53 10.150 -1.706 -11.064 1.00 0.00 C ATOM 0 H ALA A 53 7.083 -1.234 -11.437 1.00 0.00 H new ATOM 0 HA ALA A 53 8.727 -0.310 -10.273 1.00 0.00 H new ATOM 0 HB1 ALA A 53 10.995 -1.287 -10.518 1.00 0.00 H new ATOM 0 HB2 ALA A 53 9.733 -2.541 -10.501 1.00 0.00 H new ATOM 0 HB3 ALA A 53 10.486 -2.058 -12.039 1.00 0.00 H new ATOM 829 N GLY A 54 10.414 1.388 -11.203 1.00 0.00 N ATOM 830 CA GLY A 54 11.027 2.572 -11.767 1.00 0.00 C ATOM 831 C GLY A 54 10.019 3.667 -12.043 1.00 0.00 C ATOM 832 O GLY A 54 10.315 4.624 -12.759 1.00 0.00 O ATOM 0 H GLY A 54 10.596 1.244 -10.210 1.00 0.00 H new ATOM 0 HA2 GLY A 54 11.787 2.946 -11.081 1.00 0.00 H new ATOM 0 HA3 GLY A 54 11.536 2.308 -12.694 1.00 0.00 H new ATOM 836 N GLU A 55 8.823 3.531 -11.477 1.00 0.00 N ATOM 837 CA GLU A 55 7.779 4.525 -11.676 1.00 0.00 C ATOM 838 C GLU A 55 6.683 4.411 -10.622 1.00 0.00 C ATOM 839 O GLU A 55 6.436 3.334 -10.077 1.00 0.00 O ATOM 840 CB GLU A 55 7.169 4.382 -13.073 1.00 0.00 C ATOM 841 CG GLU A 55 6.868 2.942 -13.461 1.00 0.00 C ATOM 842 CD GLU A 55 6.748 2.756 -14.961 1.00 0.00 C ATOM 843 OE1 GLU A 55 7.789 2.814 -15.650 1.00 0.00 O ATOM 844 OE2 GLU A 55 5.616 2.555 -15.446 1.00 0.00 O ATOM 0 H GLU A 55 8.556 2.747 -10.881 1.00 0.00 H new ATOM 0 HA GLU A 55 8.240 5.508 -11.578 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.247 4.962 -13.119 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.853 4.811 -13.805 1.00 0.00 H new ATOM 0 HG2 GLU A 55 7.658 2.294 -13.080 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.940 2.627 -12.984 1.00 0.00 H new ATOM 851 N ARG A 56 6.022 5.531 -10.349 1.00 0.00 N ATOM 852 CA ARG A 56 4.939 5.571 -9.372 1.00 0.00 C ATOM 853 C ARG A 56 3.593 5.506 -10.084 1.00 0.00 C ATOM 854 O ARG A 56 3.451 6.010 -11.198 1.00 0.00 O ATOM 855 CB ARG A 56 5.025 6.846 -8.527 1.00 0.00 C ATOM 856 CG ARG A 56 6.448 7.249 -8.161 1.00 0.00 C ATOM 857 CD ARG A 56 6.645 8.755 -8.250 1.00 0.00 C ATOM 858 NE ARG A 56 7.711 9.111 -9.183 1.00 0.00 N ATOM 859 CZ ARG A 56 8.282 10.313 -9.233 1.00 0.00 C ATOM 860 NH1 ARG A 56 7.893 11.276 -8.407 1.00 0.00 N ATOM 861 NH2 ARG A 56 9.246 10.552 -10.112 1.00 0.00 N ATOM 0 H ARG A 56 6.219 6.428 -10.793 1.00 0.00 H new ATOM 0 HA ARG A 56 5.035 4.710 -8.711 1.00 0.00 H new ATOM 0 HB2 ARG A 56 4.555 7.664 -9.073 1.00 0.00 H new ATOM 0 HB3 ARG A 56 4.451 6.703 -7.611 1.00 0.00 H new ATOM 0 HG2 ARG A 56 6.673 6.911 -7.149 1.00 0.00 H new ATOM 0 HG3 ARG A 56 7.151 6.750 -8.828 1.00 0.00 H new ATOM 0 HD2 ARG A 56 5.714 9.225 -8.567 1.00 0.00 H new ATOM 0 HD3 ARG A 56 6.881 9.149 -7.262 1.00 0.00 H new ATOM 0 HE ARG A 56 8.037 8.397 -9.834 1.00 0.00 H new ATOM 0 HH11 ARG A 56 7.153 11.098 -7.729 1.00 0.00 H new ATOM 0 HH12 ARG A 56 8.335 12.194 -8.451 1.00 0.00 H new ATOM 0 HH21 ARG A 56 9.549 9.815 -10.749 1.00 0.00 H new ATOM 0 HH22 ARG A 56 9.684 11.472 -10.151 1.00 0.00 H new ATOM 875 N GLN A 57 2.609 4.873 -9.453 1.00 0.00 N ATOM 876 CA GLN A 57 1.288 4.746 -10.065 1.00 0.00 C ATOM 877 C GLN A 57 0.162 5.071 -9.090 1.00 0.00 C ATOM 878 O GLN A 57 0.097 4.540 -7.986 1.00 0.00 O ATOM 879 CB GLN A 57 1.089 3.328 -10.610 1.00 0.00 C ATOM 880 CG GLN A 57 1.265 3.224 -12.117 1.00 0.00 C ATOM 881 CD GLN A 57 2.703 2.959 -12.523 1.00 0.00 C ATOM 882 OE1 GLN A 57 3.636 3.521 -11.949 1.00 0.00 O ATOM 883 NE2 GLN A 57 2.888 2.100 -13.519 1.00 0.00 N ATOM 0 H GLN A 57 2.697 4.445 -8.531 1.00 0.00 H new ATOM 0 HA GLN A 57 1.247 5.470 -10.879 1.00 0.00 H new ATOM 0 HB2 GLN A 57 1.797 2.658 -10.123 1.00 0.00 H new ATOM 0 HB3 GLN A 57 0.090 2.983 -10.345 1.00 0.00 H new ATOM 0 HG2 GLN A 57 0.631 2.423 -12.498 1.00 0.00 H new ATOM 0 HG3 GLN A 57 0.925 4.149 -12.583 1.00 0.00 H new ATOM 0 HE21 GLN A 57 2.085 1.657 -13.966 1.00 0.00 H new ATOM 0 HE22 GLN A 57 3.833 1.883 -13.837 1.00 0.00 H new ATOM 892 N SER A 58 -0.748 5.923 -9.527 1.00 0.00 N ATOM 893 CA SER A 58 -1.897 6.291 -8.728 1.00 0.00 C ATOM 894 C SER A 58 -3.159 5.992 -9.524 1.00 0.00 C ATOM 895 O SER A 58 -3.495 6.719 -10.459 1.00 0.00 O ATOM 896 CB SER A 58 -1.844 7.772 -8.348 1.00 0.00 C ATOM 897 OG SER A 58 -1.622 8.583 -9.488 1.00 0.00 O ATOM 0 H SER A 58 -0.710 6.375 -10.440 1.00 0.00 H new ATOM 0 HA SER A 58 -1.896 5.713 -7.804 1.00 0.00 H new ATOM 0 HB2 SER A 58 -2.779 8.061 -7.868 1.00 0.00 H new ATOM 0 HB3 SER A 58 -1.049 7.936 -7.621 1.00 0.00 H new ATOM 0 HG SER A 58 -2.214 8.295 -10.214 1.00 0.00 H new ATOM 903 N ILE A 59 -3.841 4.905 -9.180 1.00 0.00 N ATOM 904 CA ILE A 59 -5.035 4.516 -9.902 1.00 0.00 C ATOM 905 C ILE A 59 -6.241 5.292 -9.427 1.00 0.00 C ATOM 906 O ILE A 59 -6.557 5.327 -8.240 1.00 0.00 O ATOM 907 CB ILE A 59 -5.312 3.014 -9.772 1.00 0.00 C ATOM 908 CG1 ILE A 59 -5.433 2.612 -8.295 1.00 0.00 C ATOM 909 CG2 ILE A 59 -4.229 2.243 -10.495 1.00 0.00 C ATOM 910 CD1 ILE A 59 -4.402 1.607 -7.826 1.00 0.00 C ATOM 0 H ILE A 59 -3.586 4.285 -8.411 1.00 0.00 H new ATOM 0 HA ILE A 59 -4.854 4.747 -10.952 1.00 0.00 H new ATOM 0 HB ILE A 59 -6.267 2.770 -10.238 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.352 3.509 -7.681 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.427 2.198 -8.125 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -4.422 1.174 -10.405 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -4.224 2.524 -11.548 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.260 2.475 -10.053 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -4.565 1.383 -6.772 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -4.495 0.691 -8.410 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -3.403 2.022 -7.958 1.00 0.00 H new ATOM 922 N GLU A 60 -6.900 5.920 -10.382 1.00 0.00 N ATOM 923 CA GLU A 60 -8.078 6.725 -10.101 1.00 0.00 C ATOM 924 C GLU A 60 -9.344 6.022 -10.571 1.00 0.00 C ATOM 925 O GLU A 60 -9.592 5.899 -11.771 1.00 0.00 O ATOM 926 CB GLU A 60 -7.959 8.095 -10.771 1.00 0.00 C ATOM 927 CG GLU A 60 -7.024 9.047 -10.045 1.00 0.00 C ATOM 928 CD GLU A 60 -6.408 10.078 -10.971 1.00 0.00 C ATOM 929 OE1 GLU A 60 -7.044 10.416 -11.991 1.00 0.00 O ATOM 930 OE2 GLU A 60 -5.289 10.547 -10.676 1.00 0.00 O ATOM 0 H GLU A 60 -6.638 5.889 -11.367 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.143 6.862 -9.022 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.606 7.961 -11.793 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.949 8.547 -10.833 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -7.573 9.557 -9.254 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.230 8.475 -9.565 1.00 0.00 H new ATOM 937 N GLU A 61 -10.144 5.568 -9.616 1.00 0.00 N ATOM 938 CA GLU A 61 -11.391 4.881 -9.923 1.00 0.00 C ATOM 939 C GLU A 61 -12.580 5.692 -9.419 1.00 0.00 C ATOM 940 O GLU A 61 -12.414 6.619 -8.626 1.00 0.00 O ATOM 941 CB GLU A 61 -11.398 3.488 -9.289 1.00 0.00 C ATOM 942 CG GLU A 61 -12.651 2.681 -9.593 1.00 0.00 C ATOM 943 CD GLU A 61 -12.561 1.251 -9.099 1.00 0.00 C ATOM 944 OE1 GLU A 61 -12.570 1.046 -7.867 1.00 0.00 O ATOM 945 OE2 GLU A 61 -12.482 0.335 -9.945 1.00 0.00 O ATOM 0 H GLU A 61 -9.951 5.664 -8.619 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.472 4.775 -11.005 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -10.527 2.935 -9.640 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -11.296 3.590 -8.209 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -13.511 3.167 -9.132 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.824 2.679 -10.669 1.00 0.00 H new ATOM 952 N GLY A 62 -13.776 5.339 -9.875 1.00 0.00 N ATOM 953 CA GLY A 62 -14.968 6.047 -9.447 1.00 0.00 C ATOM 954 C GLY A 62 -15.332 5.739 -8.008 1.00 0.00 C ATOM 955 O GLY A 62 -16.453 5.320 -7.720 1.00 0.00 O ATOM 0 H GLY A 62 -13.942 4.577 -10.532 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -14.811 7.120 -9.558 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -15.801 5.778 -10.096 1.00 0.00 H new ATOM 959 N ASN A 63 -14.379 5.945 -7.105 1.00 0.00 N ATOM 960 CA ASN A 63 -14.594 5.686 -5.688 1.00 0.00 C ATOM 961 C ASN A 63 -13.417 6.193 -4.861 1.00 0.00 C ATOM 962 O ASN A 63 -13.602 6.802 -3.808 1.00 0.00 O ATOM 963 CB ASN A 63 -14.798 4.189 -5.445 1.00 0.00 C ATOM 964 CG ASN A 63 -16.261 3.792 -5.471 1.00 0.00 C ATOM 965 OD1 ASN A 63 -17.040 4.192 -4.606 1.00 0.00 O ATOM 966 ND2 ASN A 63 -16.643 3.002 -6.468 1.00 0.00 N ATOM 0 H ASN A 63 -13.447 6.292 -7.332 1.00 0.00 H new ATOM 0 HA ASN A 63 -15.492 6.221 -5.377 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -14.258 3.624 -6.204 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -14.368 3.919 -4.480 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -17.616 2.703 -6.538 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -15.964 2.694 -7.164 1.00 0.00 H new ATOM 973 N TYR A 64 -12.203 5.940 -5.344 1.00 0.00 N ATOM 974 CA TYR A 64 -11.000 6.377 -4.642 1.00 0.00 C ATOM 975 C TYR A 64 -9.753 6.260 -5.519 1.00 0.00 C ATOM 976 O TYR A 64 -9.825 5.858 -6.680 1.00 0.00 O ATOM 977 CB TYR A 64 -10.807 5.568 -3.353 1.00 0.00 C ATOM 978 CG TYR A 64 -11.143 4.098 -3.489 1.00 0.00 C ATOM 979 CD1 TYR A 64 -10.221 3.197 -4.009 1.00 0.00 C ATOM 980 CD2 TYR A 64 -12.381 3.612 -3.090 1.00 0.00 C ATOM 981 CE1 TYR A 64 -10.525 1.854 -4.128 1.00 0.00 C ATOM 982 CE2 TYR A 64 -12.693 2.270 -3.206 1.00 0.00 C ATOM 983 CZ TYR A 64 -11.761 1.396 -3.725 1.00 0.00 C ATOM 984 OH TYR A 64 -12.068 0.059 -3.841 1.00 0.00 O ATOM 0 H TYR A 64 -12.027 5.437 -6.214 1.00 0.00 H new ATOM 0 HA TYR A 64 -11.137 7.429 -4.392 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -9.771 5.664 -3.028 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -11.428 6.001 -2.569 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -9.251 3.552 -4.325 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -13.113 4.294 -2.682 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -9.798 1.167 -4.535 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -13.661 1.908 -2.892 1.00 0.00 H new ATOM 0 HH TYR A 64 -12.202 -0.165 -4.786 1.00 0.00 H new ATOM 994 N ILE A 65 -8.613 6.623 -4.939 1.00 0.00 N ATOM 995 CA ILE A 65 -7.325 6.579 -5.630 1.00 0.00 C ATOM 996 C ILE A 65 -6.454 5.446 -5.092 1.00 0.00 C ATOM 997 O ILE A 65 -6.659 4.968 -3.977 1.00 0.00 O ATOM 998 CB ILE A 65 -6.562 7.924 -5.470 1.00 0.00 C ATOM 999 CG1 ILE A 65 -6.865 8.851 -6.645 1.00 0.00 C ATOM 1000 CG2 ILE A 65 -5.049 7.714 -5.342 1.00 0.00 C ATOM 1001 CD1 ILE A 65 -5.960 10.060 -6.689 1.00 0.00 C ATOM 0 H ILE A 65 -8.554 6.956 -3.977 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.530 6.404 -6.686 1.00 0.00 H new ATOM 0 HB ILE A 65 -6.911 8.386 -4.547 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.764 8.294 -7.576 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -7.902 9.182 -6.582 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.556 8.680 -5.232 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.840 7.098 -4.467 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.674 7.215 -6.235 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.224 10.681 -7.545 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -6.079 10.637 -5.772 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -4.924 9.735 -6.781 1.00 0.00 H new ATOM 1013 N GLY A 66 -5.464 5.042 -5.886 1.00 0.00 N ATOM 1014 CA GLY A 66 -4.557 3.992 -5.467 1.00 0.00 C ATOM 1015 C GLY A 66 -3.121 4.290 -5.845 1.00 0.00 C ATOM 1016 O GLY A 66 -2.665 3.926 -6.927 1.00 0.00 O ATOM 0 H GLY A 66 -5.276 5.425 -6.812 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.627 3.864 -4.387 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.862 3.049 -5.921 1.00 0.00 H new ATOM 1020 N HIS A 67 -2.410 4.963 -4.945 1.00 0.00 N ATOM 1021 CA HIS A 67 -1.019 5.327 -5.180 1.00 0.00 C ATOM 1022 C HIS A 67 -0.120 4.095 -5.294 1.00 0.00 C ATOM 1023 O HIS A 67 -0.488 2.997 -4.879 1.00 0.00 O ATOM 1024 CB HIS A 67 -0.511 6.235 -4.059 1.00 0.00 C ATOM 1025 CG HIS A 67 -1.371 7.437 -3.823 1.00 0.00 C ATOM 1026 ND1 HIS A 67 -1.602 8.399 -4.783 1.00 0.00 N ATOM 1027 CD2 HIS A 67 -2.058 7.832 -2.725 1.00 0.00 C ATOM 1028 CE1 HIS A 67 -2.390 9.335 -4.286 1.00 0.00 C ATOM 1029 NE2 HIS A 67 -2.682 9.014 -3.039 1.00 0.00 N ATOM 0 H HIS A 67 -2.777 5.268 -4.043 1.00 0.00 H new ATOM 0 HA HIS A 67 -0.979 5.862 -6.129 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -0.447 5.658 -3.137 1.00 0.00 H new ATOM 0 HB3 HIS A 67 0.500 6.564 -4.300 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -2.106 7.314 -1.779 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -2.737 10.213 -4.810 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -3.275 9.556 -2.411 1.00 0.00 H new ATOM 1038 N VAL A 68 1.063 4.292 -5.872 1.00 0.00 N ATOM 1039 CA VAL A 68 2.026 3.212 -6.057 1.00 0.00 C ATOM 1040 C VAL A 68 3.453 3.758 -6.074 1.00 0.00 C ATOM 1041 O VAL A 68 3.714 4.828 -6.623 1.00 0.00 O ATOM 1042 CB VAL A 68 1.767 2.453 -7.383 1.00 0.00 C ATOM 1043 CG1 VAL A 68 3.031 1.825 -7.933 1.00 0.00 C ATOM 1044 CG2 VAL A 68 0.709 1.387 -7.219 1.00 0.00 C ATOM 0 H VAL A 68 1.378 5.197 -6.222 1.00 0.00 H new ATOM 0 HA VAL A 68 1.905 2.524 -5.220 1.00 0.00 H new ATOM 0 HB VAL A 68 1.411 3.198 -8.094 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.803 1.303 -8.863 1.00 0.00 H new ATOM 0 HG12 VAL A 68 3.770 2.603 -8.125 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.430 1.116 -7.208 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.556 0.877 -8.170 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.033 0.666 -6.469 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.226 1.848 -6.900 1.00 0.00 H new ATOM 1054 N TYR A 69 4.374 2.998 -5.496 1.00 0.00 N ATOM 1055 CA TYR A 69 5.778 3.383 -5.470 1.00 0.00 C ATOM 1056 C TYR A 69 6.658 2.140 -5.494 1.00 0.00 C ATOM 1057 O TYR A 69 6.698 1.373 -4.532 1.00 0.00 O ATOM 1058 CB TYR A 69 6.088 4.227 -4.235 1.00 0.00 C ATOM 1059 CG TYR A 69 5.617 5.659 -4.348 1.00 0.00 C ATOM 1060 CD1 TYR A 69 4.303 6.003 -4.058 1.00 0.00 C ATOM 1061 CD2 TYR A 69 6.486 6.664 -4.748 1.00 0.00 C ATOM 1062 CE1 TYR A 69 3.869 7.311 -4.164 1.00 0.00 C ATOM 1063 CE2 TYR A 69 6.060 7.973 -4.856 1.00 0.00 C ATOM 1064 CZ TYR A 69 4.751 8.292 -4.564 1.00 0.00 C ATOM 1065 OH TYR A 69 4.324 9.595 -4.671 1.00 0.00 O ATOM 0 H TYR A 69 4.173 2.109 -5.038 1.00 0.00 H new ATOM 0 HA TYR A 69 5.987 3.985 -6.354 1.00 0.00 H new ATOM 0 HB2 TYR A 69 5.621 3.767 -3.364 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.164 4.220 -4.061 1.00 0.00 H new ATOM 0 HD1 TYR A 69 3.610 5.237 -3.745 1.00 0.00 H new ATOM 0 HD2 TYR A 69 7.512 6.418 -4.979 1.00 0.00 H new ATOM 0 HE1 TYR A 69 2.844 7.563 -3.935 1.00 0.00 H new ATOM 0 HE2 TYR A 69 6.749 8.744 -5.168 1.00 0.00 H new ATOM 0 HH TYR A 69 4.721 10.005 -5.467 1.00 0.00 H new ATOM 1075 N ALA A 70 7.351 1.943 -6.607 1.00 0.00 N ATOM 1076 CA ALA A 70 8.223 0.788 -6.771 1.00 0.00 C ATOM 1077 C ALA A 70 9.688 1.199 -6.794 1.00 0.00 C ATOM 1078 O ALA A 70 10.018 2.334 -7.139 1.00 0.00 O ATOM 1079 CB ALA A 70 7.864 0.049 -8.049 1.00 0.00 C ATOM 0 H ALA A 70 7.326 2.570 -7.411 1.00 0.00 H new ATOM 0 HA ALA A 70 8.076 0.126 -5.917 1.00 0.00 H new ATOM 0 HB1 ALA A 70 8.519 -0.814 -8.167 1.00 0.00 H new ATOM 0 HB2 ALA A 70 6.828 -0.286 -7.997 1.00 0.00 H new ATOM 0 HB3 ALA A 70 7.986 0.717 -8.902 1.00 0.00 H new ATOM 1085 N ARG A 71 10.566 0.271 -6.431 1.00 0.00 N ATOM 1086 CA ARG A 71 11.997 0.544 -6.421 1.00 0.00 C ATOM 1087 C ARG A 71 12.719 -0.339 -7.433 1.00 0.00 C ATOM 1088 O ARG A 71 12.134 -1.268 -7.990 1.00 0.00 O ATOM 1089 CB ARG A 71 12.572 0.331 -5.019 1.00 0.00 C ATOM 1090 CG ARG A 71 13.027 1.621 -4.354 1.00 0.00 C ATOM 1091 CD ARG A 71 13.336 1.413 -2.880 1.00 0.00 C ATOM 1092 NE ARG A 71 14.120 2.515 -2.326 1.00 0.00 N ATOM 1093 CZ ARG A 71 14.270 2.736 -1.023 1.00 0.00 C ATOM 1094 NH1 ARG A 71 13.699 1.930 -0.136 1.00 0.00 N ATOM 1095 NH2 ARG A 71 14.995 3.765 -0.605 1.00 0.00 N ATOM 0 H ARG A 71 10.313 -0.673 -6.141 1.00 0.00 H new ATOM 0 HA ARG A 71 12.150 1.586 -6.704 1.00 0.00 H new ATOM 0 HB2 ARG A 71 11.818 -0.146 -4.393 1.00 0.00 H new ATOM 0 HB3 ARG A 71 13.416 -0.356 -5.080 1.00 0.00 H new ATOM 0 HG2 ARG A 71 13.914 2.000 -4.862 1.00 0.00 H new ATOM 0 HG3 ARG A 71 12.251 2.379 -4.460 1.00 0.00 H new ATOM 0 HD2 ARG A 71 12.404 1.316 -2.324 1.00 0.00 H new ATOM 0 HD3 ARG A 71 13.882 0.479 -2.752 1.00 0.00 H new ATOM 0 HE ARG A 71 14.579 3.152 -2.977 1.00 0.00 H new ATOM 0 HH11 ARG A 71 13.142 1.136 -0.452 1.00 0.00 H new ATOM 0 HH12 ARG A 71 13.817 2.104 0.862 1.00 0.00 H new ATOM 0 HH21 ARG A 71 15.437 4.386 -1.283 1.00 0.00 H new ATOM 0 HH22 ARG A 71 15.110 3.935 0.394 1.00 0.00 H new ATOM 1109 N SER A 72 13.992 -0.042 -7.669 1.00 0.00 N ATOM 1110 CA SER A 72 14.790 -0.809 -8.619 1.00 0.00 C ATOM 1111 C SER A 72 15.542 -1.937 -7.919 1.00 0.00 C ATOM 1112 O SER A 72 16.684 -2.241 -8.266 1.00 0.00 O ATOM 1113 CB SER A 72 15.779 0.108 -9.342 1.00 0.00 C ATOM 1114 OG SER A 72 15.128 1.260 -9.852 1.00 0.00 O ATOM 0 H SER A 72 14.493 0.723 -7.217 1.00 0.00 H new ATOM 0 HA SER A 72 14.112 -1.251 -9.349 1.00 0.00 H new ATOM 0 HB2 SER A 72 16.570 0.408 -8.655 1.00 0.00 H new ATOM 0 HB3 SER A 72 16.254 -0.436 -10.158 1.00 0.00 H new ATOM 0 HG SER A 72 15.782 1.830 -10.308 1.00 0.00 H new ATOM 1120 N GLU A 73 14.898 -2.557 -6.934 1.00 0.00 N ATOM 1121 CA GLU A 73 15.513 -3.649 -6.193 1.00 0.00 C ATOM 1122 C GLU A 73 14.850 -4.983 -6.529 1.00 0.00 C ATOM 1123 O GLU A 73 15.518 -5.920 -6.967 1.00 0.00 O ATOM 1124 CB GLU A 73 15.438 -3.386 -4.690 1.00 0.00 C ATOM 1125 CG GLU A 73 16.487 -2.402 -4.193 1.00 0.00 C ATOM 1126 CD GLU A 73 15.897 -1.058 -3.816 1.00 0.00 C ATOM 1127 OE1 GLU A 73 15.630 -0.250 -4.730 1.00 0.00 O ATOM 1128 OE2 GLU A 73 15.705 -0.812 -2.606 1.00 0.00 O ATOM 0 H GLU A 73 13.953 -2.321 -6.633 1.00 0.00 H new ATOM 0 HA GLU A 73 16.561 -3.705 -6.488 1.00 0.00 H new ATOM 0 HB2 GLU A 73 14.447 -3.003 -4.445 1.00 0.00 H new ATOM 0 HB3 GLU A 73 15.556 -4.330 -4.158 1.00 0.00 H new ATOM 0 HG2 GLU A 73 16.996 -2.826 -3.327 1.00 0.00 H new ATOM 0 HG3 GLU A 73 17.241 -2.259 -4.967 1.00 0.00 H new ATOM 1135 N GLY A 74 13.535 -5.070 -6.325 1.00 0.00 N ATOM 1136 CA GLY A 74 12.832 -6.305 -6.624 1.00 0.00 C ATOM 1137 C GLY A 74 11.360 -6.278 -6.253 1.00 0.00 C ATOM 1138 O GLY A 74 10.533 -6.850 -6.963 1.00 0.00 O ATOM 0 H GLY A 74 12.952 -4.316 -5.962 1.00 0.00 H new ATOM 0 HA2 GLY A 74 12.925 -6.516 -7.689 1.00 0.00 H new ATOM 0 HA3 GLY A 74 13.316 -7.125 -6.093 1.00 0.00 H new ATOM 1142 N ILE A 75 11.022 -5.630 -5.141 1.00 0.00 N ATOM 1143 CA ILE A 75 9.629 -5.567 -4.704 1.00 0.00 C ATOM 1144 C ILE A 75 9.156 -4.119 -4.579 1.00 0.00 C ATOM 1145 O ILE A 75 9.916 -3.237 -4.179 1.00 0.00 O ATOM 1146 CB ILE A 75 9.393 -6.353 -3.374 1.00 0.00 C ATOM 1147 CG1 ILE A 75 9.027 -5.432 -2.202 1.00 0.00 C ATOM 1148 CG2 ILE A 75 10.609 -7.193 -3.004 1.00 0.00 C ATOM 1149 CD1 ILE A 75 10.134 -4.483 -1.792 1.00 0.00 C ATOM 0 H ILE A 75 11.683 -5.147 -4.533 1.00 0.00 H new ATOM 0 HA ILE A 75 9.031 -6.054 -5.474 1.00 0.00 H new ATOM 0 HB ILE A 75 8.545 -7.012 -3.560 1.00 0.00 H new ATOM 0 HG12 ILE A 75 8.146 -4.850 -2.473 1.00 0.00 H new ATOM 0 HG13 ILE A 75 8.753 -6.045 -1.344 1.00 0.00 H new ATOM 0 HG21 ILE A 75 10.413 -7.727 -2.074 1.00 0.00 H new ATOM 0 HG22 ILE A 75 10.811 -7.911 -3.799 1.00 0.00 H new ATOM 0 HG23 ILE A 75 11.474 -6.543 -2.873 1.00 0.00 H new ATOM 0 HD11 ILE A 75 9.796 -3.868 -0.958 1.00 0.00 H new ATOM 0 HD12 ILE A 75 11.010 -5.056 -1.488 1.00 0.00 H new ATOM 0 HD13 ILE A 75 10.394 -3.842 -2.634 1.00 0.00 H new ATOM 1161 N CYS A 76 7.899 -3.884 -4.944 1.00 0.00 N ATOM 1162 CA CYS A 76 7.322 -2.545 -4.892 1.00 0.00 C ATOM 1163 C CYS A 76 6.160 -2.476 -3.910 1.00 0.00 C ATOM 1164 O CYS A 76 5.431 -3.450 -3.723 1.00 0.00 O ATOM 1165 CB CYS A 76 6.847 -2.124 -6.282 1.00 0.00 C ATOM 1166 SG CYS A 76 5.519 -3.152 -6.951 1.00 0.00 S ATOM 0 H CYS A 76 7.260 -4.605 -5.279 1.00 0.00 H new ATOM 0 HA CYS A 76 8.098 -1.862 -4.548 1.00 0.00 H new ATOM 0 HB2 CYS A 76 6.505 -1.090 -6.240 1.00 0.00 H new ATOM 0 HB3 CYS A 76 7.694 -2.152 -6.968 1.00 0.00 H new ATOM 0 HG CYS A 76 5.301 -4.153 -6.151 1.00 0.00 H new ATOM 1172 N GLY A 77 5.985 -1.313 -3.293 1.00 0.00 N ATOM 1173 CA GLY A 77 4.901 -1.131 -2.347 1.00 0.00 C ATOM 1174 C GLY A 77 3.754 -0.353 -2.950 1.00 0.00 C ATOM 1175 O GLY A 77 3.971 0.547 -3.761 1.00 0.00 O ATOM 0 H GLY A 77 6.575 -0.493 -3.431 1.00 0.00 H new ATOM 0 HA2 GLY A 77 4.543 -2.105 -2.012 1.00 0.00 H new ATOM 0 HA3 GLY A 77 5.272 -0.607 -1.466 1.00 0.00 H new ATOM 1179 N VAL A 78 2.525 -0.698 -2.574 1.00 0.00 N ATOM 1180 CA VAL A 78 1.364 -0.010 -3.118 1.00 0.00 C ATOM 1181 C VAL A 78 0.520 0.637 -2.023 1.00 0.00 C ATOM 1182 O VAL A 78 0.422 0.124 -0.909 1.00 0.00 O ATOM 1183 CB VAL A 78 0.482 -0.970 -3.952 1.00 0.00 C ATOM 1184 CG1 VAL A 78 -1.002 -0.663 -3.794 1.00 0.00 C ATOM 1185 CG2 VAL A 78 0.880 -0.936 -5.416 1.00 0.00 C ATOM 0 H VAL A 78 2.312 -1.438 -1.905 1.00 0.00 H new ATOM 0 HA VAL A 78 1.746 0.777 -3.768 1.00 0.00 H new ATOM 0 HB VAL A 78 0.651 -1.976 -3.568 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.584 -1.361 -4.396 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -1.285 -0.765 -2.746 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.200 0.356 -4.126 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.246 -1.619 -5.981 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.759 0.076 -5.803 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.922 -1.241 -5.517 1.00 0.00 H new ATOM 1195 N LEU A 79 -0.110 1.758 -2.364 1.00 0.00 N ATOM 1196 CA LEU A 79 -0.972 2.469 -1.425 1.00 0.00 C ATOM 1197 C LEU A 79 -2.273 2.879 -2.110 1.00 0.00 C ATOM 1198 O LEU A 79 -2.275 3.225 -3.287 1.00 0.00 O ATOM 1199 CB LEU A 79 -0.263 3.705 -0.865 1.00 0.00 C ATOM 1200 CG LEU A 79 1.242 3.549 -0.635 1.00 0.00 C ATOM 1201 CD1 LEU A 79 1.990 3.640 -1.958 1.00 0.00 C ATOM 1202 CD2 LEU A 79 1.739 4.611 0.334 1.00 0.00 C ATOM 0 H LEU A 79 -0.040 2.193 -3.284 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.201 1.798 -0.597 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -0.425 4.537 -1.550 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.732 3.975 0.081 1.00 0.00 H new ATOM 0 HG LEU A 79 1.431 2.568 -0.199 1.00 0.00 H new ATOM 0 HD11 LEU A 79 3.059 3.527 -1.780 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.648 2.848 -2.625 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.799 4.609 -2.418 1.00 0.00 H new ATOM 0 HD21 LEU A 79 2.811 4.489 0.489 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.542 5.601 -0.079 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.220 4.506 1.287 1.00 0.00 H new ATOM 1214 N ILE A 80 -3.381 2.843 -1.378 1.00 0.00 N ATOM 1215 CA ILE A 80 -4.672 3.224 -1.949 1.00 0.00 C ATOM 1216 C ILE A 80 -5.438 4.160 -1.024 1.00 0.00 C ATOM 1217 O ILE A 80 -5.688 3.838 0.137 1.00 0.00 O ATOM 1218 CB ILE A 80 -5.561 2.001 -2.291 1.00 0.00 C ATOM 1219 CG1 ILE A 80 -4.902 0.697 -1.848 1.00 0.00 C ATOM 1220 CG2 ILE A 80 -5.849 1.961 -3.786 1.00 0.00 C ATOM 1221 CD1 ILE A 80 -5.600 -0.542 -2.370 1.00 0.00 C ATOM 0 H ILE A 80 -3.414 2.558 -0.399 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.440 3.744 -2.879 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.501 2.106 -1.749 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.866 0.690 -2.186 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.882 0.661 -0.759 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.474 1.097 -4.013 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.368 2.873 -4.081 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.911 1.884 -4.335 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.077 -1.431 -2.016 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.629 -0.559 -2.010 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.597 -0.530 -3.460 1.00 0.00 H new ATOM 1233 N THR A 81 -5.807 5.324 -1.553 1.00 0.00 N ATOM 1234 CA THR A 81 -6.544 6.317 -0.783 1.00 0.00 C ATOM 1235 C THR A 81 -7.422 7.171 -1.689 1.00 0.00 C ATOM 1236 O THR A 81 -7.337 7.074 -2.905 1.00 0.00 O ATOM 1237 CB THR A 81 -5.580 7.206 -0.002 1.00 0.00 C ATOM 1238 OG1 THR A 81 -6.246 8.353 0.491 1.00 0.00 O ATOM 1239 CG2 THR A 81 -4.409 7.677 -0.823 1.00 0.00 C ATOM 0 H THR A 81 -5.606 5.601 -2.514 1.00 0.00 H new ATOM 0 HA THR A 81 -7.188 5.787 -0.081 1.00 0.00 H new ATOM 0 HB THR A 81 -5.207 6.584 0.812 1.00 0.00 H new ATOM 0 HG1 THR A 81 -5.716 8.755 1.210 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.763 8.304 -0.209 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.845 6.815 -1.180 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.770 8.253 -1.675 1.00 0.00 H new ATOM 1247 N ASP A 82 -8.268 8.001 -1.081 1.00 0.00 N ATOM 1248 CA ASP A 82 -9.177 8.864 -1.830 1.00 0.00 C ATOM 1249 C ASP A 82 -8.429 9.942 -2.607 1.00 0.00 C ATOM 1250 O ASP A 82 -7.217 10.104 -2.464 1.00 0.00 O ATOM 1251 CB ASP A 82 -10.182 9.516 -0.879 1.00 0.00 C ATOM 1252 CG ASP A 82 -11.521 9.775 -1.539 1.00 0.00 C ATOM 1253 OD1 ASP A 82 -11.662 10.822 -2.205 1.00 0.00 O ATOM 1254 OD2 ASP A 82 -12.429 8.931 -1.391 1.00 0.00 O ATOM 0 H ASP A 82 -8.342 8.093 -0.068 1.00 0.00 H new ATOM 0 HA ASP A 82 -9.703 8.239 -2.551 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -10.327 8.872 -0.011 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -9.773 10.458 -0.513 1.00 0.00 H new ATOM 1259 N LYS A 83 -9.172 10.682 -3.429 1.00 0.00 N ATOM 1260 CA LYS A 83 -8.596 11.754 -4.234 1.00 0.00 C ATOM 1261 C LYS A 83 -8.193 12.939 -3.361 1.00 0.00 C ATOM 1262 O LYS A 83 -7.393 13.780 -3.772 1.00 0.00 O ATOM 1263 CB LYS A 83 -9.593 12.207 -5.302 1.00 0.00 C ATOM 1264 CG LYS A 83 -9.981 11.110 -6.279 1.00 0.00 C ATOM 1265 CD LYS A 83 -11.064 11.577 -7.238 1.00 0.00 C ATOM 1266 CE LYS A 83 -11.198 10.642 -8.430 1.00 0.00 C ATOM 1267 NZ LYS A 83 -12.535 9.988 -8.476 1.00 0.00 N ATOM 0 H LYS A 83 -10.177 10.557 -3.554 1.00 0.00 H new ATOM 0 HA LYS A 83 -7.701 11.367 -4.721 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -10.492 12.580 -4.812 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -9.163 13.041 -5.857 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -9.103 10.797 -6.844 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -10.333 10.238 -5.728 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -12.017 11.635 -6.711 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -10.832 12.583 -7.588 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -11.036 11.202 -9.351 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -10.422 9.878 -8.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -12.586 9.359 -9.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -12.680 9.432 -7.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -13.275 10.715 -8.548 1.00 0.00 H new ATOM 1281 N GLN A 84 -8.742 12.999 -2.148 1.00 0.00 N ATOM 1282 CA GLN A 84 -8.428 14.078 -1.216 1.00 0.00 C ATOM 1283 C GLN A 84 -7.204 13.725 -0.374 1.00 0.00 C ATOM 1284 O GLN A 84 -7.033 14.228 0.737 1.00 0.00 O ATOM 1285 CB GLN A 84 -9.627 14.359 -0.308 1.00 0.00 C ATOM 1286 CG GLN A 84 -10.496 15.511 -0.785 1.00 0.00 C ATOM 1287 CD GLN A 84 -10.093 16.837 -0.173 1.00 0.00 C ATOM 1288 OE1 GLN A 84 -9.041 17.390 -0.497 1.00 0.00 O ATOM 1289 NE2 GLN A 84 -10.930 17.357 0.718 1.00 0.00 N ATOM 0 H GLN A 84 -9.406 12.313 -1.789 1.00 0.00 H new ATOM 0 HA GLN A 84 -8.203 14.975 -1.793 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -10.238 13.459 -0.238 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -9.267 14.579 0.697 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -10.434 15.582 -1.871 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -11.537 15.302 -0.538 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -11.791 16.865 0.957 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -10.712 18.248 1.163 1.00 0.00 H new ATOM 1298 N TYR A 85 -6.357 12.855 -0.914 1.00 0.00 N ATOM 1299 CA TYR A 85 -5.150 12.420 -0.235 1.00 0.00 C ATOM 1300 C TYR A 85 -3.977 12.457 -1.211 1.00 0.00 C ATOM 1301 O TYR A 85 -3.543 11.421 -1.714 1.00 0.00 O ATOM 1302 CB TYR A 85 -5.351 11.008 0.306 1.00 0.00 C ATOM 1303 CG TYR A 85 -4.239 10.517 1.203 1.00 0.00 C ATOM 1304 CD1 TYR A 85 -3.145 9.847 0.677 1.00 0.00 C ATOM 1305 CD2 TYR A 85 -4.297 10.700 2.576 1.00 0.00 C ATOM 1306 CE1 TYR A 85 -2.139 9.376 1.491 1.00 0.00 C ATOM 1307 CE2 TYR A 85 -3.297 10.230 3.399 1.00 0.00 C ATOM 1308 CZ TYR A 85 -2.218 9.568 2.852 1.00 0.00 C ATOM 1309 OH TYR A 85 -1.215 9.099 3.667 1.00 0.00 O ATOM 0 H TYR A 85 -6.491 12.434 -1.833 1.00 0.00 H new ATOM 0 HA TYR A 85 -4.934 13.087 0.599 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -6.289 10.975 0.860 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -5.453 10.321 -0.534 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -3.081 9.692 -0.390 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -5.140 11.219 3.008 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -1.293 8.859 1.064 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -3.358 10.379 4.467 1.00 0.00 H new ATOM 0 HH TYR A 85 -1.010 9.769 4.352 1.00 0.00 H new ATOM 1319 N PRO A 86 -3.466 13.667 -1.505 1.00 0.00 N ATOM 1320 CA PRO A 86 -2.360 13.879 -2.434 1.00 0.00 C ATOM 1321 C PRO A 86 -1.320 12.761 -2.407 1.00 0.00 C ATOM 1322 O PRO A 86 -1.176 12.049 -1.413 1.00 0.00 O ATOM 1323 CB PRO A 86 -1.748 15.206 -1.961 1.00 0.00 C ATOM 1324 CG PRO A 86 -2.672 15.755 -0.912 1.00 0.00 C ATOM 1325 CD PRO A 86 -3.936 14.944 -0.968 1.00 0.00 C ATOM 0 HA PRO A 86 -2.706 13.893 -3.468 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -0.749 15.049 -1.554 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -1.647 15.904 -2.792 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -2.216 15.689 0.076 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.882 16.809 -1.097 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -4.389 14.829 0.017 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -4.686 15.404 -1.612 1.00 0.00 H new ATOM 1333 N VAL A 87 -0.604 12.615 -3.519 1.00 0.00 N ATOM 1334 CA VAL A 87 0.420 11.585 -3.650 1.00 0.00 C ATOM 1335 C VAL A 87 1.683 11.942 -2.872 1.00 0.00 C ATOM 1336 O VAL A 87 2.437 11.061 -2.461 1.00 0.00 O ATOM 1337 CB VAL A 87 0.795 11.356 -5.128 1.00 0.00 C ATOM 1338 CG1 VAL A 87 1.708 10.147 -5.269 1.00 0.00 C ATOM 1339 CG2 VAL A 87 -0.456 11.194 -5.981 1.00 0.00 C ATOM 0 H VAL A 87 -0.716 13.201 -4.346 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.006 10.671 -3.236 1.00 0.00 H new ATOM 0 HB VAL A 87 1.336 12.233 -5.484 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.961 10.003 -6.319 1.00 0.00 H new ATOM 0 HG12 VAL A 87 2.620 10.311 -4.695 1.00 0.00 H new ATOM 0 HG13 VAL A 87 1.198 9.260 -4.893 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.169 11.033 -7.020 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.030 10.338 -5.626 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -1.066 12.095 -5.908 1.00 0.00 H new ATOM 1349 N ARG A 88 1.916 13.239 -2.683 1.00 0.00 N ATOM 1350 CA ARG A 88 3.097 13.709 -1.961 1.00 0.00 C ATOM 1351 C ARG A 88 3.330 12.905 -0.683 1.00 0.00 C ATOM 1352 O ARG A 88 4.394 12.311 -0.507 1.00 0.00 O ATOM 1353 CB ARG A 88 2.969 15.198 -1.646 1.00 0.00 C ATOM 1354 CG ARG A 88 2.772 16.049 -2.887 1.00 0.00 C ATOM 1355 CD ARG A 88 1.632 17.038 -2.713 1.00 0.00 C ATOM 1356 NE ARG A 88 2.095 18.321 -2.189 1.00 0.00 N ATOM 1357 CZ ARG A 88 1.308 19.197 -1.567 1.00 0.00 C ATOM 1358 NH1 ARG A 88 0.019 18.935 -1.388 1.00 0.00 N ATOM 1359 NH2 ARG A 88 1.812 20.339 -1.122 1.00 0.00 N ATOM 0 H ARG A 88 1.304 13.983 -3.019 1.00 0.00 H new ATOM 0 HA ARG A 88 3.964 13.560 -2.605 1.00 0.00 H new ATOM 0 HB2 ARG A 88 2.128 15.350 -0.970 1.00 0.00 H new ATOM 0 HB3 ARG A 88 3.864 15.532 -1.121 1.00 0.00 H new ATOM 0 HG2 ARG A 88 3.692 16.589 -3.108 1.00 0.00 H new ATOM 0 HG3 ARG A 88 2.568 15.404 -3.742 1.00 0.00 H new ATOM 0 HD2 ARG A 88 1.139 17.195 -3.672 1.00 0.00 H new ATOM 0 HD3 ARG A 88 0.888 16.618 -2.037 1.00 0.00 H new ATOM 0 HE ARG A 88 3.080 18.560 -2.307 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -0.375 18.058 -1.728 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -0.577 19.611 -0.911 1.00 0.00 H new ATOM 0 HH21 ARG A 88 2.802 20.546 -1.256 1.00 0.00 H new ATOM 0 HH22 ARG A 88 1.210 21.011 -0.645 1.00 0.00 H new ATOM 1373 N PRO A 89 2.340 12.850 0.226 1.00 0.00 N ATOM 1374 CA PRO A 89 2.477 12.082 1.463 1.00 0.00 C ATOM 1375 C PRO A 89 2.562 10.595 1.175 1.00 0.00 C ATOM 1376 O PRO A 89 3.106 9.833 1.969 1.00 0.00 O ATOM 1377 CB PRO A 89 1.206 12.420 2.245 1.00 0.00 C ATOM 1378 CG PRO A 89 0.220 12.826 1.205 1.00 0.00 C ATOM 1379 CD PRO A 89 1.019 13.496 0.119 1.00 0.00 C ATOM 0 HA PRO A 89 3.386 12.327 2.012 1.00 0.00 H new ATOM 0 HB2 PRO A 89 0.851 11.561 2.814 1.00 0.00 H new ATOM 0 HB3 PRO A 89 1.382 13.224 2.959 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -0.318 11.961 0.817 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -0.526 13.506 1.618 1.00 0.00 H new ATOM 0 HD2 PRO A 89 0.573 13.341 -0.863 1.00 0.00 H new ATOM 0 HD3 PRO A 89 1.084 14.573 0.273 1.00 0.00 H new ATOM 1387 N ALA A 90 2.060 10.191 0.012 1.00 0.00 N ATOM 1388 CA ALA A 90 2.138 8.798 -0.385 1.00 0.00 C ATOM 1389 C ALA A 90 3.589 8.479 -0.696 1.00 0.00 C ATOM 1390 O ALA A 90 4.063 7.367 -0.464 1.00 0.00 O ATOM 1391 CB ALA A 90 1.243 8.520 -1.584 1.00 0.00 C ATOM 0 H ALA A 90 1.601 10.804 -0.662 1.00 0.00 H new ATOM 0 HA ALA A 90 1.784 8.159 0.424 1.00 0.00 H new ATOM 0 HB1 ALA A 90 1.321 7.468 -1.860 1.00 0.00 H new ATOM 0 HB2 ALA A 90 0.209 8.752 -1.328 1.00 0.00 H new ATOM 0 HB3 ALA A 90 1.557 9.140 -2.424 1.00 0.00 H new ATOM 1397 N TYR A 91 4.301 9.493 -1.186 1.00 0.00 N ATOM 1398 CA TYR A 91 5.712 9.358 -1.486 1.00 0.00 C ATOM 1399 C TYR A 91 6.468 9.173 -0.181 1.00 0.00 C ATOM 1400 O TYR A 91 7.281 8.259 -0.041 1.00 0.00 O ATOM 1401 CB TYR A 91 6.219 10.602 -2.225 1.00 0.00 C ATOM 1402 CG TYR A 91 7.674 10.527 -2.638 1.00 0.00 C ATOM 1403 CD1 TYR A 91 8.690 10.494 -1.689 1.00 0.00 C ATOM 1404 CD2 TYR A 91 8.031 10.495 -3.980 1.00 0.00 C ATOM 1405 CE1 TYR A 91 10.018 10.430 -2.066 1.00 0.00 C ATOM 1406 CE2 TYR A 91 9.358 10.430 -4.365 1.00 0.00 C ATOM 1407 CZ TYR A 91 10.345 10.398 -3.405 1.00 0.00 C ATOM 1408 OH TYR A 91 11.667 10.334 -3.784 1.00 0.00 O ATOM 0 H TYR A 91 3.916 10.417 -1.382 1.00 0.00 H new ATOM 0 HA TYR A 91 5.873 8.494 -2.131 1.00 0.00 H new ATOM 0 HB2 TYR A 91 5.608 10.757 -3.114 1.00 0.00 H new ATOM 0 HB3 TYR A 91 6.079 11.473 -1.586 1.00 0.00 H new ATOM 0 HD1 TYR A 91 8.437 10.519 -0.639 1.00 0.00 H new ATOM 0 HD2 TYR A 91 7.260 10.521 -4.735 1.00 0.00 H new ATOM 0 HE1 TYR A 91 10.795 10.405 -1.316 1.00 0.00 H new ATOM 0 HE2 TYR A 91 9.619 10.404 -5.413 1.00 0.00 H new ATOM 0 HH TYR A 91 11.726 10.318 -4.762 1.00 0.00 H new ATOM 1418 N THR A 92 6.168 10.042 0.787 1.00 0.00 N ATOM 1419 CA THR A 92 6.795 9.969 2.097 1.00 0.00 C ATOM 1420 C THR A 92 6.438 8.657 2.777 1.00 0.00 C ATOM 1421 O THR A 92 7.288 7.990 3.368 1.00 0.00 O ATOM 1422 CB THR A 92 6.336 11.135 2.966 1.00 0.00 C ATOM 1423 OG1 THR A 92 6.362 12.349 2.238 1.00 0.00 O ATOM 1424 CG2 THR A 92 7.180 11.324 4.207 1.00 0.00 C ATOM 0 H THR A 92 5.495 10.801 0.683 1.00 0.00 H new ATOM 0 HA THR A 92 7.876 10.023 1.967 1.00 0.00 H new ATOM 0 HB THR A 92 5.320 10.883 3.271 1.00 0.00 H new ATOM 0 HG1 THR A 92 6.062 13.083 2.814 1.00 0.00 H new ATOM 0 HG21 THR A 92 6.800 12.169 4.780 1.00 0.00 H new ATOM 0 HG22 THR A 92 7.136 10.422 4.818 1.00 0.00 H new ATOM 0 HG23 THR A 92 8.213 11.517 3.918 1.00 0.00 H new ATOM 1432 N LEU A 93 5.164 8.297 2.681 1.00 0.00 N ATOM 1433 CA LEU A 93 4.667 7.068 3.277 1.00 0.00 C ATOM 1434 C LEU A 93 5.362 5.867 2.676 1.00 0.00 C ATOM 1435 O LEU A 93 6.059 5.126 3.369 1.00 0.00 O ATOM 1436 CB LEU A 93 3.155 6.952 3.080 1.00 0.00 C ATOM 1437 CG LEU A 93 2.475 5.835 3.876 1.00 0.00 C ATOM 1438 CD1 LEU A 93 0.965 5.987 3.805 1.00 0.00 C ATOM 1439 CD2 LEU A 93 2.897 4.467 3.357 1.00 0.00 C ATOM 0 H LEU A 93 4.455 8.844 2.193 1.00 0.00 H new ATOM 0 HA LEU A 93 4.881 7.096 4.345 1.00 0.00 H new ATOM 0 HB2 LEU A 93 2.696 7.902 3.354 1.00 0.00 H new ATOM 0 HB3 LEU A 93 2.954 6.794 2.020 1.00 0.00 H new ATOM 0 HG LEU A 93 2.788 5.914 4.917 1.00 0.00 H new ATOM 0 HD11 LEU A 93 0.492 5.187 4.375 1.00 0.00 H new ATOM 0 HD12 LEU A 93 0.676 6.951 4.224 1.00 0.00 H new ATOM 0 HD13 LEU A 93 0.642 5.932 2.765 1.00 0.00 H new ATOM 0 HD21 LEU A 93 2.401 3.689 3.938 1.00 0.00 H new ATOM 0 HD22 LEU A 93 2.615 4.373 2.308 1.00 0.00 H new ATOM 0 HD23 LEU A 93 3.977 4.359 3.453 1.00 0.00 H new ATOM 1451 N LEU A 94 5.183 5.682 1.377 1.00 0.00 N ATOM 1452 CA LEU A 94 5.812 4.572 0.695 1.00 0.00 C ATOM 1453 C LEU A 94 7.335 4.717 0.738 1.00 0.00 C ATOM 1454 O LEU A 94 8.064 3.788 0.382 1.00 0.00 O ATOM 1455 CB LEU A 94 5.315 4.469 -0.749 1.00 0.00 C ATOM 1456 CG LEU A 94 4.992 3.046 -1.227 1.00 0.00 C ATOM 1457 CD1 LEU A 94 6.273 2.268 -1.483 1.00 0.00 C ATOM 1458 CD2 LEU A 94 4.113 2.314 -0.220 1.00 0.00 C ATOM 0 H LEU A 94 4.612 6.283 0.782 1.00 0.00 H new ATOM 0 HA LEU A 94 5.539 3.651 1.210 1.00 0.00 H new ATOM 0 HB2 LEU A 94 4.420 5.083 -0.853 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.072 4.894 -1.408 1.00 0.00 H new ATOM 0 HG LEU A 94 4.438 3.122 -2.163 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.026 1.262 -1.821 1.00 0.00 H new ATOM 0 HD12 LEU A 94 6.859 2.775 -2.250 1.00 0.00 H new ATOM 0 HD13 LEU A 94 6.853 2.209 -0.562 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.901 1.309 -0.585 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.631 2.250 0.737 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.177 2.858 -0.090 1.00 0.00 H new ATOM 1470 N ASN A 95 7.814 5.877 1.199 1.00 0.00 N ATOM 1471 CA ASN A 95 9.250 6.111 1.300 1.00 0.00 C ATOM 1472 C ASN A 95 9.837 5.308 2.454 1.00 0.00 C ATOM 1473 O ASN A 95 10.698 4.448 2.257 1.00 0.00 O ATOM 1474 CB ASN A 95 9.544 7.600 1.501 1.00 0.00 C ATOM 1475 CG ASN A 95 10.313 8.197 0.339 1.00 0.00 C ATOM 1476 OD1 ASN A 95 9.958 8.000 -0.823 1.00 0.00 O ATOM 1477 ND2 ASN A 95 11.375 8.932 0.649 1.00 0.00 N ATOM 0 H ASN A 95 7.233 6.658 1.504 1.00 0.00 H new ATOM 0 HA ASN A 95 9.713 5.787 0.368 1.00 0.00 H new ATOM 0 HB2 ASN A 95 8.605 8.139 1.628 1.00 0.00 H new ATOM 0 HB3 ASN A 95 10.116 7.734 2.419 1.00 0.00 H new ATOM 0 HD21 ASN A 95 11.933 9.360 -0.090 1.00 0.00 H new ATOM 0 HD22 ASN A 95 11.633 9.069 1.626 1.00 0.00 H new ATOM 1484 N LYS A 96 9.363 5.596 3.659 1.00 0.00 N ATOM 1485 CA LYS A 96 9.836 4.906 4.851 1.00 0.00 C ATOM 1486 C LYS A 96 9.513 3.415 4.785 1.00 0.00 C ATOM 1487 O LYS A 96 10.351 2.579 5.115 1.00 0.00 O ATOM 1488 CB LYS A 96 9.216 5.526 6.105 1.00 0.00 C ATOM 1489 CG LYS A 96 10.243 5.982 7.128 1.00 0.00 C ATOM 1490 CD LYS A 96 11.214 6.988 6.532 1.00 0.00 C ATOM 1491 CE LYS A 96 12.012 7.700 7.612 1.00 0.00 C ATOM 1492 NZ LYS A 96 11.352 8.959 8.053 1.00 0.00 N ATOM 0 H LYS A 96 8.650 6.304 3.837 1.00 0.00 H new ATOM 0 HA LYS A 96 10.919 5.018 4.900 1.00 0.00 H new ATOM 0 HB2 LYS A 96 8.602 6.378 5.814 1.00 0.00 H new ATOM 0 HB3 LYS A 96 8.551 4.798 6.570 1.00 0.00 H new ATOM 0 HG2 LYS A 96 9.734 6.428 7.982 1.00 0.00 H new ATOM 0 HG3 LYS A 96 10.795 5.119 7.501 1.00 0.00 H new ATOM 0 HD2 LYS A 96 11.896 6.478 5.851 1.00 0.00 H new ATOM 0 HD3 LYS A 96 10.664 7.721 5.942 1.00 0.00 H new ATOM 0 HE2 LYS A 96 12.136 7.037 8.468 1.00 0.00 H new ATOM 0 HE3 LYS A 96 13.010 7.926 7.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 11.928 9.413 8.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 11.256 9.603 7.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 10.410 8.741 8.436 1.00 0.00 H new ATOM 1506 N ILE A 97 8.294 3.090 4.360 1.00 0.00 N ATOM 1507 CA ILE A 97 7.862 1.705 4.258 1.00 0.00 C ATOM 1508 C ILE A 97 8.837 0.871 3.435 1.00 0.00 C ATOM 1509 O ILE A 97 9.320 -0.159 3.896 1.00 0.00 O ATOM 1510 CB ILE A 97 6.454 1.629 3.648 1.00 0.00 C ATOM 1511 CG1 ILE A 97 5.765 0.320 3.985 1.00 0.00 C ATOM 1512 CG2 ILE A 97 6.482 1.817 2.143 1.00 0.00 C ATOM 1513 CD1 ILE A 97 4.427 0.195 3.299 1.00 0.00 C ATOM 0 H ILE A 97 7.589 3.772 4.081 1.00 0.00 H new ATOM 0 HA ILE A 97 7.839 1.291 5.266 1.00 0.00 H new ATOM 0 HB ILE A 97 5.884 2.446 4.090 1.00 0.00 H new ATOM 0 HG12 ILE A 97 6.403 -0.513 3.690 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.628 0.249 5.064 1.00 0.00 H new ATOM 0 HG21 ILE A 97 5.467 1.756 1.750 1.00 0.00 H new ATOM 0 HG22 ILE A 97 6.905 2.793 1.906 1.00 0.00 H new ATOM 0 HG23 ILE A 97 7.094 1.037 1.690 1.00 0.00 H new ATOM 0 HD11 ILE A 97 3.968 -0.756 3.567 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.779 1.013 3.614 1.00 0.00 H new ATOM 0 HD13 ILE A 97 4.566 0.239 2.219 1.00 0.00 H new ATOM 1525 N LEU A 98 9.122 1.320 2.216 1.00 0.00 N ATOM 1526 CA LEU A 98 10.044 0.601 1.346 1.00 0.00 C ATOM 1527 C LEU A 98 11.398 0.452 2.027 1.00 0.00 C ATOM 1528 O LEU A 98 11.987 -0.629 2.028 1.00 0.00 O ATOM 1529 CB LEU A 98 10.189 1.320 0.001 1.00 0.00 C ATOM 1530 CG LEU A 98 9.710 0.520 -1.215 1.00 0.00 C ATOM 1531 CD1 LEU A 98 8.370 -0.147 -0.933 1.00 0.00 C ATOM 1532 CD2 LEU A 98 9.610 1.420 -2.437 1.00 0.00 C ATOM 0 H LEU A 98 8.731 2.171 1.812 1.00 0.00 H new ATOM 0 HA LEU A 98 9.640 -0.393 1.155 1.00 0.00 H new ATOM 0 HB2 LEU A 98 9.632 2.256 0.044 1.00 0.00 H new ATOM 0 HB3 LEU A 98 11.238 1.580 -0.144 1.00 0.00 H new ATOM 0 HG LEU A 98 10.442 -0.262 -1.418 1.00 0.00 H new ATOM 0 HD11 LEU A 98 8.051 -0.709 -1.811 1.00 0.00 H new ATOM 0 HD12 LEU A 98 8.472 -0.825 -0.086 1.00 0.00 H new ATOM 0 HD13 LEU A 98 7.626 0.615 -0.700 1.00 0.00 H new ATOM 0 HD21 LEU A 98 9.269 0.836 -3.292 1.00 0.00 H new ATOM 0 HD22 LEU A 98 8.901 2.224 -2.240 1.00 0.00 H new ATOM 0 HD23 LEU A 98 10.589 1.846 -2.656 1.00 0.00 H new ATOM 1544 N ASP A 99 11.866 1.533 2.646 1.00 0.00 N ATOM 1545 CA ASP A 99 13.130 1.502 3.368 1.00 0.00 C ATOM 1546 C ASP A 99 12.994 0.551 4.547 1.00 0.00 C ATOM 1547 O ASP A 99 13.963 -0.067 4.991 1.00 0.00 O ATOM 1548 CB ASP A 99 13.507 2.902 3.857 1.00 0.00 C ATOM 1549 CG ASP A 99 14.433 3.620 2.895 1.00 0.00 C ATOM 1550 OD1 ASP A 99 13.928 4.246 1.940 1.00 0.00 O ATOM 1551 OD2 ASP A 99 15.664 3.555 3.096 1.00 0.00 O ATOM 0 H ASP A 99 11.390 2.435 2.661 1.00 0.00 H new ATOM 0 HA ASP A 99 13.921 1.156 2.702 1.00 0.00 H new ATOM 0 HB2 ASP A 99 12.601 3.492 3.994 1.00 0.00 H new ATOM 0 HB3 ASP A 99 13.988 2.826 4.832 1.00 0.00 H new ATOM 1556 N GLU A 100 11.760 0.430 5.023 1.00 0.00 N ATOM 1557 CA GLU A 100 11.430 -0.451 6.125 1.00 0.00 C ATOM 1558 C GLU A 100 11.296 -1.883 5.620 1.00 0.00 C ATOM 1559 O GLU A 100 11.543 -2.841 6.351 1.00 0.00 O ATOM 1560 CB GLU A 100 10.136 0.022 6.783 1.00 0.00 C ATOM 1561 CG GLU A 100 10.023 -0.322 8.263 1.00 0.00 C ATOM 1562 CD GLU A 100 10.494 -1.728 8.585 1.00 0.00 C ATOM 1563 OE1 GLU A 100 11.723 -1.939 8.659 1.00 0.00 O ATOM 1564 OE2 GLU A 100 9.635 -2.616 8.764 1.00 0.00 O ATOM 0 H GLU A 100 10.961 0.944 4.651 1.00 0.00 H new ATOM 0 HA GLU A 100 12.226 -0.427 6.869 1.00 0.00 H new ATOM 0 HB2 GLU A 100 10.057 1.103 6.666 1.00 0.00 H new ATOM 0 HB3 GLU A 100 9.291 -0.419 6.254 1.00 0.00 H new ATOM 0 HG2 GLU A 100 10.609 0.392 8.842 1.00 0.00 H new ATOM 0 HG3 GLU A 100 8.985 -0.212 8.577 1.00 0.00 H new ATOM 1571 N TYR A 101 10.925 -2.016 4.347 1.00 0.00 N ATOM 1572 CA TYR A 101 10.783 -3.321 3.723 1.00 0.00 C ATOM 1573 C TYR A 101 12.151 -3.966 3.540 1.00 0.00 C ATOM 1574 O TYR A 101 12.282 -5.188 3.569 1.00 0.00 O ATOM 1575 CB TYR A 101 10.083 -3.199 2.369 1.00 0.00 C ATOM 1576 CG TYR A 101 9.455 -4.494 1.912 1.00 0.00 C ATOM 1577 CD1 TYR A 101 10.246 -5.576 1.547 1.00 0.00 C ATOM 1578 CD2 TYR A 101 8.076 -4.642 1.859 1.00 0.00 C ATOM 1579 CE1 TYR A 101 9.680 -6.768 1.143 1.00 0.00 C ATOM 1580 CE2 TYR A 101 7.501 -5.832 1.453 1.00 0.00 C ATOM 1581 CZ TYR A 101 8.309 -6.891 1.097 1.00 0.00 C ATOM 1582 OH TYR A 101 7.746 -8.080 0.699 1.00 0.00 O ATOM 0 H TYR A 101 10.718 -1.230 3.730 1.00 0.00 H new ATOM 0 HA TYR A 101 10.175 -3.948 4.375 1.00 0.00 H new ATOM 0 HB2 TYR A 101 9.313 -2.430 2.432 1.00 0.00 H new ATOM 0 HB3 TYR A 101 10.804 -2.867 1.622 1.00 0.00 H new ATOM 0 HD1 TYR A 101 11.321 -5.483 1.580 1.00 0.00 H new ATOM 0 HD2 TYR A 101 7.442 -3.814 2.139 1.00 0.00 H new ATOM 0 HE1 TYR A 101 10.309 -7.600 0.864 1.00 0.00 H new ATOM 0 HE2 TYR A 101 6.426 -5.931 1.415 1.00 0.00 H new ATOM 0 HH TYR A 101 7.842 -8.743 1.414 1.00 0.00 H new ATOM 1592 N LEU A 102 13.171 -3.130 3.351 1.00 0.00 N ATOM 1593 CA LEU A 102 14.536 -3.617 3.162 1.00 0.00 C ATOM 1594 C LEU A 102 15.150 -4.069 4.483 1.00 0.00 C ATOM 1595 O LEU A 102 16.032 -4.927 4.503 1.00 0.00 O ATOM 1596 CB LEU A 102 15.426 -2.540 2.531 1.00 0.00 C ATOM 1597 CG LEU A 102 14.708 -1.504 1.665 1.00 0.00 C ATOM 1598 CD1 LEU A 102 15.713 -0.560 1.026 1.00 0.00 C ATOM 1599 CD2 LEU A 102 13.864 -2.188 0.601 1.00 0.00 C ATOM 0 H LEU A 102 13.078 -2.115 3.325 1.00 0.00 H new ATOM 0 HA LEU A 102 14.479 -4.471 2.487 1.00 0.00 H new ATOM 0 HB2 LEU A 102 15.951 -2.016 3.330 1.00 0.00 H new ATOM 0 HB3 LEU A 102 16.183 -3.033 1.921 1.00 0.00 H new ATOM 0 HG LEU A 102 14.044 -0.921 2.303 1.00 0.00 H new ATOM 0 HD11 LEU A 102 15.186 0.171 0.413 1.00 0.00 H new ATOM 0 HD12 LEU A 102 16.274 -0.044 1.805 1.00 0.00 H new ATOM 0 HD13 LEU A 102 16.401 -1.130 0.401 1.00 0.00 H new ATOM 0 HD21 LEU A 102 13.361 -1.434 -0.005 1.00 0.00 H new ATOM 0 HD22 LEU A 102 14.505 -2.797 -0.036 1.00 0.00 H new ATOM 0 HD23 LEU A 102 13.120 -2.824 1.080 1.00 0.00 H new ATOM 1611 N VAL A 103 14.695 -3.484 5.586 1.00 0.00 N ATOM 1612 CA VAL A 103 15.225 -3.837 6.897 1.00 0.00 C ATOM 1613 C VAL A 103 14.768 -5.223 7.324 1.00 0.00 C ATOM 1614 O VAL A 103 15.581 -6.055 7.728 1.00 0.00 O ATOM 1615 CB VAL A 103 14.815 -2.824 7.980 1.00 0.00 C ATOM 1616 CG1 VAL A 103 14.953 -3.451 9.360 1.00 0.00 C ATOM 1617 CG2 VAL A 103 15.651 -1.558 7.873 1.00 0.00 C ATOM 0 H VAL A 103 13.967 -2.770 5.599 1.00 0.00 H new ATOM 0 HA VAL A 103 16.310 -3.824 6.798 1.00 0.00 H new ATOM 0 HB VAL A 103 13.771 -2.550 7.828 1.00 0.00 H new ATOM 0 HG11 VAL A 103 14.661 -2.726 10.120 1.00 0.00 H new ATOM 0 HG12 VAL A 103 14.309 -4.328 9.427 1.00 0.00 H new ATOM 0 HG13 VAL A 103 15.989 -3.749 9.522 1.00 0.00 H new ATOM 0 HG21 VAL A 103 15.346 -0.854 8.647 1.00 0.00 H new ATOM 0 HG22 VAL A 103 16.705 -1.806 8.002 1.00 0.00 H new ATOM 0 HG23 VAL A 103 15.502 -1.106 6.892 1.00 0.00 H new ATOM 1627 N ALA A 104 13.464 -5.469 7.234 1.00 0.00 N ATOM 1628 CA ALA A 104 12.903 -6.762 7.610 1.00 0.00 C ATOM 1629 C ALA A 104 13.726 -7.908 7.022 1.00 0.00 C ATOM 1630 O ALA A 104 13.666 -9.041 7.498 1.00 0.00 O ATOM 1631 CB ALA A 104 11.455 -6.853 7.152 1.00 0.00 C ATOM 0 H ALA A 104 12.777 -4.791 6.904 1.00 0.00 H new ATOM 0 HA ALA A 104 12.936 -6.850 8.696 1.00 0.00 H new ATOM 0 HB1 ALA A 104 11.044 -7.821 7.437 1.00 0.00 H new ATOM 0 HB2 ALA A 104 10.874 -6.060 7.622 1.00 0.00 H new ATOM 0 HB3 ALA A 104 11.409 -6.743 6.069 1.00 0.00 H new ATOM 1637 N HIS A 105 14.494 -7.594 5.982 1.00 0.00 N ATOM 1638 CA HIS A 105 15.333 -8.570 5.316 1.00 0.00 C ATOM 1639 C HIS A 105 16.203 -7.881 4.262 1.00 0.00 C ATOM 1640 O HIS A 105 15.701 -7.092 3.462 1.00 0.00 O ATOM 1641 CB HIS A 105 14.472 -9.656 4.664 1.00 0.00 C ATOM 1642 CG HIS A 105 13.167 -9.152 4.117 1.00 0.00 C ATOM 1643 ND1 HIS A 105 12.207 -9.982 3.578 1.00 0.00 N ATOM 1644 CD2 HIS A 105 12.667 -7.893 4.026 1.00 0.00 C ATOM 1645 CE1 HIS A 105 11.176 -9.259 3.177 1.00 0.00 C ATOM 1646 NE2 HIS A 105 11.430 -7.990 3.438 1.00 0.00 N ATOM 0 H HIS A 105 14.548 -6.657 5.583 1.00 0.00 H new ATOM 0 HA HIS A 105 15.981 -9.039 6.057 1.00 0.00 H new ATOM 0 HB2 HIS A 105 15.039 -10.119 3.856 1.00 0.00 H new ATOM 0 HB3 HIS A 105 14.270 -10.435 5.399 1.00 0.00 H new ATOM 0 HD2 HIS A 105 13.151 -6.985 4.355 1.00 0.00 H new ATOM 0 HE1 HIS A 105 10.278 -9.641 2.714 1.00 0.00 H new ATOM 0 HE2 HIS A 105 10.808 -7.208 3.235 1.00 0.00 H new ATOM 1655 N PRO A 106 17.524 -8.161 4.259 1.00 0.00 N ATOM 1656 CA PRO A 106 18.481 -7.569 3.322 1.00 0.00 C ATOM 1657 C PRO A 106 17.882 -7.219 1.959 1.00 0.00 C ATOM 1658 O PRO A 106 16.907 -7.822 1.516 1.00 0.00 O ATOM 1659 CB PRO A 106 19.524 -8.671 3.191 1.00 0.00 C ATOM 1660 CG PRO A 106 19.533 -9.359 4.522 1.00 0.00 C ATOM 1661 CD PRO A 106 18.203 -9.076 5.189 1.00 0.00 C ATOM 0 HA PRO A 106 18.864 -6.614 3.681 1.00 0.00 H new ATOM 0 HB2 PRO A 106 19.267 -9.364 2.390 1.00 0.00 H new ATOM 0 HB3 PRO A 106 20.505 -8.259 2.953 1.00 0.00 H new ATOM 0 HG2 PRO A 106 19.679 -10.432 4.398 1.00 0.00 H new ATOM 0 HG3 PRO A 106 20.356 -8.994 5.137 1.00 0.00 H new ATOM 0 HD2 PRO A 106 17.629 -9.991 5.339 1.00 0.00 H new ATOM 0 HD3 PRO A 106 18.338 -8.620 6.170 1.00 0.00 H new ATOM 1669 N LYS A 107 18.478 -6.222 1.312 1.00 0.00 N ATOM 1670 CA LYS A 107 18.020 -5.750 0.007 1.00 0.00 C ATOM 1671 C LYS A 107 17.759 -6.895 -0.971 1.00 0.00 C ATOM 1672 O LYS A 107 16.636 -7.077 -1.442 1.00 0.00 O ATOM 1673 CB LYS A 107 19.047 -4.786 -0.590 1.00 0.00 C ATOM 1674 CG LYS A 107 18.713 -3.320 -0.357 1.00 0.00 C ATOM 1675 CD LYS A 107 19.657 -2.679 0.651 1.00 0.00 C ATOM 1676 CE LYS A 107 20.358 -1.463 0.065 1.00 0.00 C ATOM 1677 NZ LYS A 107 20.548 -0.388 1.077 1.00 0.00 N ATOM 0 H LYS A 107 19.288 -5.720 1.674 1.00 0.00 H new ATOM 0 HA LYS A 107 17.072 -5.235 0.167 1.00 0.00 H new ATOM 0 HB2 LYS A 107 20.026 -5.000 -0.161 1.00 0.00 H new ATOM 0 HB3 LYS A 107 19.123 -4.967 -1.662 1.00 0.00 H new ATOM 0 HG2 LYS A 107 18.769 -2.780 -1.302 1.00 0.00 H new ATOM 0 HG3 LYS A 107 17.687 -3.233 -0.000 1.00 0.00 H new ATOM 0 HD2 LYS A 107 19.097 -2.385 1.539 1.00 0.00 H new ATOM 0 HD3 LYS A 107 20.400 -3.410 0.970 1.00 0.00 H new ATOM 0 HE2 LYS A 107 21.328 -1.761 -0.334 1.00 0.00 H new ATOM 0 HE3 LYS A 107 19.775 -1.076 -0.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 21.029 0.422 0.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 19.622 -0.085 1.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 21.126 -0.749 1.862 1.00 0.00 H new ATOM 1691 N GLU A 108 18.803 -7.647 -1.296 1.00 0.00 N ATOM 1692 CA GLU A 108 18.684 -8.751 -2.242 1.00 0.00 C ATOM 1693 C GLU A 108 17.963 -9.951 -1.634 1.00 0.00 C ATOM 1694 O GLU A 108 17.351 -10.738 -2.356 1.00 0.00 O ATOM 1695 CB GLU A 108 20.068 -9.174 -2.740 1.00 0.00 C ATOM 1696 CG GLU A 108 20.993 -9.646 -1.632 1.00 0.00 C ATOM 1697 CD GLU A 108 22.448 -9.316 -1.906 1.00 0.00 C ATOM 1698 OE1 GLU A 108 22.715 -8.221 -2.444 1.00 0.00 O ATOM 1699 OE2 GLU A 108 23.317 -10.152 -1.584 1.00 0.00 O ATOM 0 H GLU A 108 19.741 -7.513 -0.919 1.00 0.00 H new ATOM 0 HA GLU A 108 18.087 -8.395 -3.081 1.00 0.00 H new ATOM 0 HB2 GLU A 108 19.953 -9.974 -3.472 1.00 0.00 H new ATOM 0 HB3 GLU A 108 20.532 -8.334 -3.256 1.00 0.00 H new ATOM 0 HG2 GLU A 108 20.691 -9.186 -0.691 1.00 0.00 H new ATOM 0 HG3 GLU A 108 20.886 -10.724 -1.509 1.00 0.00 H new ATOM 1706 N GLU A 109 18.046 -10.097 -0.313 1.00 0.00 N ATOM 1707 CA GLU A 109 17.402 -11.216 0.378 1.00 0.00 C ATOM 1708 C GLU A 109 16.006 -11.487 -0.183 1.00 0.00 C ATOM 1709 O GLU A 109 15.617 -12.638 -0.373 1.00 0.00 O ATOM 1710 CB GLU A 109 17.319 -10.940 1.882 1.00 0.00 C ATOM 1711 CG GLU A 109 16.364 -11.864 2.623 1.00 0.00 C ATOM 1712 CD GLU A 109 16.704 -11.996 4.094 1.00 0.00 C ATOM 1713 OE1 GLU A 109 17.908 -12.032 4.425 1.00 0.00 O ATOM 1714 OE2 GLU A 109 15.766 -12.062 4.917 1.00 0.00 O ATOM 0 H GLU A 109 18.551 -9.457 0.300 1.00 0.00 H new ATOM 0 HA GLU A 109 18.013 -12.104 0.212 1.00 0.00 H new ATOM 0 HB2 GLU A 109 18.314 -11.038 2.316 1.00 0.00 H new ATOM 0 HB3 GLU A 109 17.004 -9.908 2.036 1.00 0.00 H new ATOM 0 HG2 GLU A 109 15.347 -11.486 2.522 1.00 0.00 H new ATOM 0 HG3 GLU A 109 16.385 -12.850 2.159 1.00 0.00 H new ATOM 1721 N TRP A 110 15.263 -10.420 -0.452 1.00 0.00 N ATOM 1722 CA TRP A 110 13.917 -10.555 -1.000 1.00 0.00 C ATOM 1723 C TRP A 110 13.947 -10.533 -2.521 1.00 0.00 C ATOM 1724 O TRP A 110 13.532 -11.491 -3.173 1.00 0.00 O ATOM 1725 CB TRP A 110 12.983 -9.450 -0.486 1.00 0.00 C ATOM 1726 CG TRP A 110 13.664 -8.176 -0.080 1.00 0.00 C ATOM 1727 CD1 TRP A 110 14.168 -7.878 1.151 1.00 0.00 C ATOM 1728 CD2 TRP A 110 13.890 -7.018 -0.897 1.00 0.00 C ATOM 1729 NE1 TRP A 110 14.689 -6.609 1.153 1.00 0.00 N ATOM 1730 CE2 TRP A 110 14.532 -6.061 -0.091 1.00 0.00 C ATOM 1731 CE3 TRP A 110 13.615 -6.698 -2.229 1.00 0.00 C ATOM 1732 CZ2 TRP A 110 14.899 -4.807 -0.572 1.00 0.00 C ATOM 1733 CZ3 TRP A 110 13.980 -5.455 -2.705 1.00 0.00 C ATOM 1734 CH2 TRP A 110 14.616 -4.521 -1.878 1.00 0.00 C ATOM 0 H TRP A 110 15.566 -9.458 -0.301 1.00 0.00 H new ATOM 0 HA TRP A 110 13.529 -11.516 -0.663 1.00 0.00 H new ATOM 0 HB2 TRP A 110 12.254 -9.222 -1.263 1.00 0.00 H new ATOM 0 HB3 TRP A 110 12.427 -9.835 0.369 1.00 0.00 H new ATOM 0 HD1 TRP A 110 14.159 -8.544 2.001 1.00 0.00 H new ATOM 0 HE1 TRP A 110 15.123 -6.148 1.953 1.00 0.00 H new ATOM 0 HE3 TRP A 110 13.125 -7.411 -2.875 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 15.390 -4.086 0.065 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 13.771 -5.198 -3.733 1.00 0.00 H new ATOM 0 HH2 TRP A 110 14.888 -3.556 -2.280 1.00 0.00 H new ATOM 1745 N ALA A 111 14.434 -9.429 -3.081 1.00 0.00 N ATOM 1746 CA ALA A 111 14.512 -9.265 -4.533 1.00 0.00 C ATOM 1747 C ALA A 111 13.243 -9.769 -5.220 1.00 0.00 C ATOM 1748 O ALA A 111 13.289 -10.220 -6.363 1.00 0.00 O ATOM 1749 CB ALA A 111 15.727 -10.002 -5.073 1.00 0.00 C ATOM 0 H ALA A 111 14.782 -8.631 -2.550 1.00 0.00 H new ATOM 0 HA ALA A 111 14.609 -8.201 -4.748 1.00 0.00 H new ATOM 0 HB1 ALA A 111 15.778 -9.875 -6.154 1.00 0.00 H new ATOM 0 HB2 ALA A 111 16.630 -9.597 -4.617 1.00 0.00 H new ATOM 0 HB3 ALA A 111 15.644 -11.063 -4.835 1.00 0.00 H new ATOM 1755 N ASP A 112 12.126 -9.693 -4.488 1.00 0.00 N ATOM 1756 CA ASP A 112 10.804 -10.141 -4.948 1.00 0.00 C ATOM 1757 C ASP A 112 10.136 -10.922 -3.833 1.00 0.00 C ATOM 1758 O ASP A 112 8.925 -10.842 -3.637 1.00 0.00 O ATOM 1759 CB ASP A 112 10.876 -11.016 -6.207 1.00 0.00 C ATOM 1760 CG ASP A 112 10.848 -10.203 -7.486 1.00 0.00 C ATOM 1761 OD1 ASP A 112 11.407 -9.086 -7.493 1.00 0.00 O ATOM 1762 OD2 ASP A 112 10.267 -10.683 -8.483 1.00 0.00 O ATOM 0 H ASP A 112 12.114 -9.312 -3.542 1.00 0.00 H new ATOM 0 HA ASP A 112 10.228 -9.253 -5.208 1.00 0.00 H new ATOM 0 HB2 ASP A 112 11.789 -11.611 -6.179 1.00 0.00 H new ATOM 0 HB3 ASP A 112 10.040 -11.715 -6.207 1.00 0.00 H new ATOM 1767 N VAL A 113 10.950 -11.673 -3.099 1.00 0.00 N ATOM 1768 CA VAL A 113 10.472 -12.470 -1.986 1.00 0.00 C ATOM 1769 C VAL A 113 9.838 -13.769 -2.471 1.00 0.00 C ATOM 1770 O VAL A 113 10.316 -14.858 -2.156 1.00 0.00 O ATOM 1771 CB VAL A 113 9.458 -11.688 -1.126 1.00 0.00 C ATOM 1772 CG1 VAL A 113 9.072 -12.483 0.105 1.00 0.00 C ATOM 1773 CG2 VAL A 113 10.019 -10.331 -0.740 1.00 0.00 C ATOM 0 H VAL A 113 11.955 -11.743 -3.261 1.00 0.00 H new ATOM 0 HA VAL A 113 11.339 -12.709 -1.370 1.00 0.00 H new ATOM 0 HB VAL A 113 8.558 -11.527 -1.719 1.00 0.00 H new ATOM 0 HG11 VAL A 113 8.356 -11.913 0.697 1.00 0.00 H new ATOM 0 HG12 VAL A 113 8.621 -13.428 -0.199 1.00 0.00 H new ATOM 0 HG13 VAL A 113 9.961 -12.682 0.703 1.00 0.00 H new ATOM 0 HG21 VAL A 113 9.289 -9.795 -0.134 1.00 0.00 H new ATOM 0 HG22 VAL A 113 10.937 -10.466 -0.168 1.00 0.00 H new ATOM 0 HG23 VAL A 113 10.234 -9.757 -1.641 1.00 0.00 H new ATOM 1783 N THR A 114 8.751 -13.646 -3.231 1.00 0.00 N ATOM 1784 CA THR A 114 8.038 -14.812 -3.754 1.00 0.00 C ATOM 1785 C THR A 114 7.326 -15.573 -2.633 1.00 0.00 C ATOM 1786 O THR A 114 6.612 -16.543 -2.889 1.00 0.00 O ATOM 1787 CB THR A 114 8.998 -15.751 -4.499 1.00 0.00 C ATOM 1788 OG1 THR A 114 9.593 -16.677 -3.609 1.00 0.00 O ATOM 1789 CG2 THR A 114 10.115 -15.025 -5.220 1.00 0.00 C ATOM 0 H THR A 114 8.344 -12.750 -3.499 1.00 0.00 H new ATOM 0 HA THR A 114 7.287 -14.450 -4.456 1.00 0.00 H new ATOM 0 HB THR A 114 8.380 -16.258 -5.240 1.00 0.00 H new ATOM 0 HG1 THR A 114 10.256 -16.217 -3.053 1.00 0.00 H new ATOM 0 HG21 THR A 114 10.754 -15.750 -5.724 1.00 0.00 H new ATOM 0 HG22 THR A 114 9.690 -14.343 -5.956 1.00 0.00 H new ATOM 0 HG23 THR A 114 10.706 -14.459 -4.500 1.00 0.00 H new ATOM 1797 N GLU A 115 7.527 -15.130 -1.394 1.00 0.00 N ATOM 1798 CA GLU A 115 6.911 -15.763 -0.238 1.00 0.00 C ATOM 1799 C GLU A 115 6.979 -14.832 0.967 1.00 0.00 C ATOM 1800 O GLU A 115 7.739 -15.067 1.907 1.00 0.00 O ATOM 1801 CB GLU A 115 7.615 -17.080 0.071 1.00 0.00 C ATOM 1802 CG GLU A 115 9.083 -16.919 0.431 1.00 0.00 C ATOM 1803 CD GLU A 115 9.908 -18.139 0.071 1.00 0.00 C ATOM 1804 OE1 GLU A 115 9.955 -18.492 -1.126 1.00 0.00 O ATOM 1805 OE2 GLU A 115 10.509 -18.741 0.986 1.00 0.00 O ATOM 0 H GLU A 115 8.117 -14.329 -1.168 1.00 0.00 H new ATOM 0 HA GLU A 115 5.864 -15.968 -0.462 1.00 0.00 H new ATOM 0 HB2 GLU A 115 7.100 -17.572 0.896 1.00 0.00 H new ATOM 0 HB3 GLU A 115 7.532 -17.738 -0.794 1.00 0.00 H new ATOM 0 HG2 GLU A 115 9.486 -16.047 -0.084 1.00 0.00 H new ATOM 0 HG3 GLU A 115 9.172 -16.727 1.500 1.00 0.00 H new ATOM 1812 N THR A 116 6.193 -13.762 0.921 1.00 0.00 N ATOM 1813 CA THR A 116 6.173 -12.776 1.996 1.00 0.00 C ATOM 1814 C THR A 116 6.082 -13.434 3.371 1.00 0.00 C ATOM 1815 O THR A 116 5.789 -14.624 3.492 1.00 0.00 O ATOM 1816 CB THR A 116 5.012 -11.795 1.798 1.00 0.00 C ATOM 1817 OG1 THR A 116 5.282 -10.570 2.454 1.00 0.00 O ATOM 1818 CG2 THR A 116 3.680 -12.305 2.310 1.00 0.00 C ATOM 0 H THR A 116 5.560 -13.555 0.149 1.00 0.00 H new ATOM 0 HA THR A 116 7.115 -12.229 1.956 1.00 0.00 H new ATOM 0 HB THR A 116 4.932 -11.666 0.719 1.00 0.00 H new ATOM 0 HG1 THR A 116 4.447 -10.195 2.803 1.00 0.00 H new ATOM 0 HG21 THR A 116 2.910 -11.554 2.133 1.00 0.00 H new ATOM 0 HG22 THR A 116 3.417 -13.224 1.787 1.00 0.00 H new ATOM 0 HG23 THR A 116 3.753 -12.504 3.379 1.00 0.00 H new ATOM 1826 N ASN A 117 6.332 -12.636 4.401 1.00 0.00 N ATOM 1827 CA ASN A 117 6.282 -13.106 5.779 1.00 0.00 C ATOM 1828 C ASN A 117 6.466 -11.937 6.735 1.00 0.00 C ATOM 1829 O ASN A 117 5.624 -11.682 7.596 1.00 0.00 O ATOM 1830 CB ASN A 117 7.354 -14.171 6.028 1.00 0.00 C ATOM 1831 CG ASN A 117 8.680 -13.829 5.376 1.00 0.00 C ATOM 1832 OD1 ASN A 117 9.528 -13.167 5.976 1.00 0.00 O ATOM 1833 ND2 ASN A 117 8.865 -14.278 4.141 1.00 0.00 N ATOM 0 H ASN A 117 6.574 -11.650 4.306 1.00 0.00 H new ATOM 0 HA ASN A 117 5.306 -13.558 5.956 1.00 0.00 H new ATOM 0 HB2 ASN A 117 7.501 -14.289 7.102 1.00 0.00 H new ATOM 0 HB3 ASN A 117 7.003 -15.130 5.647 1.00 0.00 H new ATOM 0 HD21 ASN A 117 9.737 -14.078 3.651 1.00 0.00 H new ATOM 0 HD22 ASN A 117 8.135 -14.823 3.682 1.00 0.00 H new ATOM 1840 N ASP A 118 7.569 -11.218 6.565 1.00 0.00 N ATOM 1841 CA ASP A 118 7.865 -10.059 7.397 1.00 0.00 C ATOM 1842 C ASP A 118 7.019 -8.867 6.963 1.00 0.00 C ATOM 1843 O ASP A 118 6.473 -8.141 7.795 1.00 0.00 O ATOM 1844 CB ASP A 118 9.351 -9.707 7.314 1.00 0.00 C ATOM 1845 CG ASP A 118 10.200 -10.563 8.233 1.00 0.00 C ATOM 1846 OD1 ASP A 118 10.210 -10.293 9.453 1.00 0.00 O ATOM 1847 OD2 ASP A 118 10.854 -11.502 7.734 1.00 0.00 O ATOM 0 H ASP A 118 8.275 -11.418 5.856 1.00 0.00 H new ATOM 0 HA ASP A 118 7.622 -10.305 8.431 1.00 0.00 H new ATOM 0 HB2 ASP A 118 9.694 -9.831 6.287 1.00 0.00 H new ATOM 0 HB3 ASP A 118 9.488 -8.657 7.571 1.00 0.00 H new ATOM 1852 N ALA A 119 6.911 -8.676 5.651 1.00 0.00 N ATOM 1853 CA ALA A 119 6.128 -7.580 5.099 1.00 0.00 C ATOM 1854 C ALA A 119 4.662 -7.721 5.484 1.00 0.00 C ATOM 1855 O ALA A 119 3.973 -6.729 5.722 1.00 0.00 O ATOM 1856 CB ALA A 119 6.281 -7.534 3.587 1.00 0.00 C ATOM 0 H ALA A 119 7.358 -9.268 4.951 1.00 0.00 H new ATOM 0 HA ALA A 119 6.501 -6.644 5.515 1.00 0.00 H new ATOM 0 HB1 ALA A 119 5.690 -6.710 3.186 1.00 0.00 H new ATOM 0 HB2 ALA A 119 7.330 -7.386 3.332 1.00 0.00 H new ATOM 0 HB3 ALA A 119 5.932 -8.473 3.157 1.00 0.00 H new ATOM 1862 N LEU A 120 4.193 -8.961 5.554 1.00 0.00 N ATOM 1863 CA LEU A 120 2.810 -9.231 5.924 1.00 0.00 C ATOM 1864 C LEU A 120 2.525 -8.717 7.330 1.00 0.00 C ATOM 1865 O LEU A 120 1.385 -8.401 7.670 1.00 0.00 O ATOM 1866 CB LEU A 120 2.520 -10.731 5.845 1.00 0.00 C ATOM 1867 CG LEU A 120 1.119 -11.094 5.347 1.00 0.00 C ATOM 1868 CD1 LEU A 120 1.176 -12.300 4.421 1.00 0.00 C ATOM 1869 CD2 LEU A 120 0.188 -11.363 6.520 1.00 0.00 C ATOM 0 H LEU A 120 4.749 -9.794 5.360 1.00 0.00 H new ATOM 0 HA LEU A 120 2.159 -8.710 5.222 1.00 0.00 H new ATOM 0 HB2 LEU A 120 3.255 -11.193 5.186 1.00 0.00 H new ATOM 0 HB3 LEU A 120 2.661 -11.166 6.835 1.00 0.00 H new ATOM 0 HG LEU A 120 0.725 -10.248 4.784 1.00 0.00 H new ATOM 0 HD11 LEU A 120 0.170 -12.543 4.077 1.00 0.00 H new ATOM 0 HD12 LEU A 120 1.807 -12.070 3.563 1.00 0.00 H new ATOM 0 HD13 LEU A 120 1.591 -13.152 4.959 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -0.803 -11.619 6.146 1.00 0.00 H new ATOM 0 HD22 LEU A 120 0.578 -12.191 7.112 1.00 0.00 H new ATOM 0 HD23 LEU A 120 0.121 -10.471 7.143 1.00 0.00 H new ATOM 1881 N LYS A 121 3.575 -8.633 8.145 1.00 0.00 N ATOM 1882 CA LYS A 121 3.443 -8.156 9.517 1.00 0.00 C ATOM 1883 C LYS A 121 4.197 -6.842 9.720 1.00 0.00 C ATOM 1884 O LYS A 121 4.575 -6.502 10.841 1.00 0.00 O ATOM 1885 CB LYS A 121 3.963 -9.212 10.495 1.00 0.00 C ATOM 1886 CG LYS A 121 3.698 -8.873 11.953 1.00 0.00 C ATOM 1887 CD LYS A 121 3.208 -10.086 12.728 1.00 0.00 C ATOM 1888 CE LYS A 121 2.297 -9.684 13.877 1.00 0.00 C ATOM 1889 NZ LYS A 121 1.131 -10.601 14.008 1.00 0.00 N ATOM 0 H LYS A 121 4.525 -8.889 7.878 1.00 0.00 H new ATOM 0 HA LYS A 121 2.386 -7.976 9.710 1.00 0.00 H new ATOM 0 HB2 LYS A 121 3.498 -10.170 10.263 1.00 0.00 H new ATOM 0 HB3 LYS A 121 5.036 -9.334 10.348 1.00 0.00 H new ATOM 0 HG2 LYS A 121 4.611 -8.492 12.411 1.00 0.00 H new ATOM 0 HG3 LYS A 121 2.955 -8.077 12.013 1.00 0.00 H new ATOM 0 HD2 LYS A 121 2.673 -10.756 12.056 1.00 0.00 H new ATOM 0 HD3 LYS A 121 4.062 -10.640 13.117 1.00 0.00 H new ATOM 0 HE2 LYS A 121 2.865 -9.684 14.807 1.00 0.00 H new ATOM 0 HE3 LYS A 121 1.942 -8.666 13.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 0.535 -10.293 14.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 0.574 -10.583 13.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 1.469 -11.569 14.184 1.00 0.00 H new ATOM 1903 N MET A 122 4.409 -6.104 8.633 1.00 0.00 N ATOM 1904 CA MET A 122 5.114 -4.827 8.701 1.00 0.00 C ATOM 1905 C MET A 122 4.334 -3.830 9.557 1.00 0.00 C ATOM 1906 O MET A 122 3.583 -3.004 9.037 1.00 0.00 O ATOM 1907 CB MET A 122 5.328 -4.261 7.291 1.00 0.00 C ATOM 1908 CG MET A 122 6.773 -3.901 6.980 1.00 0.00 C ATOM 1909 SD MET A 122 7.148 -2.168 7.314 1.00 0.00 S ATOM 1910 CE MET A 122 7.481 -1.543 5.665 1.00 0.00 C ATOM 0 H MET A 122 4.103 -6.368 7.696 1.00 0.00 H new ATOM 0 HA MET A 122 6.087 -4.994 9.163 1.00 0.00 H new ATOM 0 HB2 MET A 122 4.982 -4.992 6.561 1.00 0.00 H new ATOM 0 HB3 MET A 122 4.709 -3.372 7.170 1.00 0.00 H new ATOM 0 HG2 MET A 122 7.436 -4.532 7.572 1.00 0.00 H new ATOM 0 HG3 MET A 122 6.979 -4.117 5.932 1.00 0.00 H new ATOM 0 HE1 MET A 122 7.605 -0.461 5.704 1.00 0.00 H new ATOM 0 HE2 MET A 122 8.393 -1.999 5.281 1.00 0.00 H new ATOM 0 HE3 MET A 122 6.647 -1.789 5.007 1.00 0.00 H new ATOM 1920 N LYS A 123 4.516 -3.913 10.875 1.00 0.00 N ATOM 1921 CA LYS A 123 3.827 -3.019 11.805 1.00 0.00 C ATOM 1922 C LYS A 123 3.920 -1.569 11.339 1.00 0.00 C ATOM 1923 O LYS A 123 2.988 -0.786 11.521 1.00 0.00 O ATOM 1924 CB LYS A 123 4.419 -3.155 13.209 1.00 0.00 C ATOM 1925 CG LYS A 123 3.934 -4.384 13.959 1.00 0.00 C ATOM 1926 CD LYS A 123 3.846 -4.129 15.455 1.00 0.00 C ATOM 1927 CE LYS A 123 2.406 -3.935 15.905 1.00 0.00 C ATOM 1928 NZ LYS A 123 1.781 -2.742 15.268 1.00 0.00 N ATOM 0 H LYS A 123 5.134 -4.590 11.322 1.00 0.00 H new ATOM 0 HA LYS A 123 2.776 -3.305 11.832 1.00 0.00 H new ATOM 0 HB2 LYS A 123 5.506 -3.191 13.134 1.00 0.00 H new ATOM 0 HB3 LYS A 123 4.169 -2.265 13.787 1.00 0.00 H new ATOM 0 HG2 LYS A 123 2.955 -4.678 13.581 1.00 0.00 H new ATOM 0 HG3 LYS A 123 4.612 -5.217 13.771 1.00 0.00 H new ATOM 0 HD2 LYS A 123 4.287 -4.967 15.994 1.00 0.00 H new ATOM 0 HD3 LYS A 123 4.430 -3.244 15.709 1.00 0.00 H new ATOM 0 HE2 LYS A 123 1.826 -4.824 15.658 1.00 0.00 H new ATOM 0 HE3 LYS A 123 2.376 -3.825 16.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 0.818 -2.615 15.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 2.348 -1.897 15.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 1.740 -2.880 14.238 1.00 0.00 H new ATOM 1942 N GLN A 124 5.048 -1.226 10.730 1.00 0.00 N ATOM 1943 CA GLN A 124 5.271 0.122 10.223 1.00 0.00 C ATOM 1944 C GLN A 124 4.216 0.486 9.191 1.00 0.00 C ATOM 1945 O GLN A 124 3.400 1.383 9.402 1.00 0.00 O ATOM 1946 CB GLN A 124 6.654 0.211 9.589 1.00 0.00 C ATOM 1947 CG GLN A 124 7.607 1.141 10.323 1.00 0.00 C ATOM 1948 CD GLN A 124 8.109 0.550 11.627 1.00 0.00 C ATOM 1949 OE1 GLN A 124 8.721 -0.518 11.642 1.00 0.00 O ATOM 1950 NE2 GLN A 124 7.851 1.243 12.730 1.00 0.00 N ATOM 0 H GLN A 124 5.826 -1.867 10.575 1.00 0.00 H new ATOM 0 HA GLN A 124 5.204 0.821 11.056 1.00 0.00 H new ATOM 0 HB2 GLN A 124 7.091 -0.787 9.552 1.00 0.00 H new ATOM 0 HB3 GLN A 124 6.550 0.552 8.559 1.00 0.00 H new ATOM 0 HG2 GLN A 124 8.457 1.366 9.679 1.00 0.00 H new ATOM 0 HG3 GLN A 124 7.102 2.085 10.527 1.00 0.00 H new ATOM 0 HE21 GLN A 124 7.340 2.124 12.671 1.00 0.00 H new ATOM 0 HE22 GLN A 124 8.164 0.894 13.636 1.00 0.00 H new ATOM 1959 N LEU A 125 4.243 -0.231 8.075 1.00 0.00 N ATOM 1960 CA LEU A 125 3.303 -0.021 6.987 1.00 0.00 C ATOM 1961 C LEU A 125 1.884 0.118 7.521 1.00 0.00 C ATOM 1962 O LEU A 125 1.076 0.883 6.991 1.00 0.00 O ATOM 1963 CB LEU A 125 3.398 -1.205 6.028 1.00 0.00 C ATOM 1964 CG LEU A 125 2.221 -1.395 5.080 1.00 0.00 C ATOM 1965 CD1 LEU A 125 2.672 -2.158 3.849 1.00 0.00 C ATOM 1966 CD2 LEU A 125 1.087 -2.126 5.785 1.00 0.00 C ATOM 0 H LEU A 125 4.919 -0.975 7.901 1.00 0.00 H new ATOM 0 HA LEU A 125 3.551 0.902 6.462 1.00 0.00 H new ATOM 0 HB2 LEU A 125 4.304 -1.092 5.432 1.00 0.00 H new ATOM 0 HB3 LEU A 125 3.515 -2.115 6.617 1.00 0.00 H new ATOM 0 HG LEU A 125 1.851 -0.418 4.768 1.00 0.00 H new ATOM 0 HD11 LEU A 125 1.827 -2.292 3.174 1.00 0.00 H new ATOM 0 HD12 LEU A 125 3.457 -1.598 3.341 1.00 0.00 H new ATOM 0 HD13 LEU A 125 3.057 -3.134 4.146 1.00 0.00 H new ATOM 0 HD21 LEU A 125 0.253 -2.255 5.095 1.00 0.00 H new ATOM 0 HD22 LEU A 125 1.436 -3.103 6.119 1.00 0.00 H new ATOM 0 HD23 LEU A 125 0.759 -1.544 6.646 1.00 0.00 H new ATOM 1978 N ASP A 126 1.595 -0.627 8.579 1.00 0.00 N ATOM 1979 CA ASP A 126 0.274 -0.586 9.195 1.00 0.00 C ATOM 1980 C ASP A 126 0.123 0.680 10.021 1.00 0.00 C ATOM 1981 O ASP A 126 -0.919 1.336 9.995 1.00 0.00 O ATOM 1982 CB ASP A 126 0.044 -1.818 10.074 1.00 0.00 C ATOM 1983 CG ASP A 126 0.571 -3.091 9.441 1.00 0.00 C ATOM 1984 OD1 ASP A 126 0.168 -3.398 8.299 1.00 0.00 O ATOM 1985 OD2 ASP A 126 1.385 -3.783 10.089 1.00 0.00 O ATOM 0 H ASP A 126 2.253 -1.264 9.028 1.00 0.00 H new ATOM 0 HA ASP A 126 -0.474 -0.586 8.402 1.00 0.00 H new ATOM 0 HB2 ASP A 126 0.530 -1.668 11.038 1.00 0.00 H new ATOM 0 HB3 ASP A 126 -1.023 -1.928 10.268 1.00 0.00 H new ATOM 1990 N THR A 127 1.181 1.021 10.741 1.00 0.00 N ATOM 1991 CA THR A 127 1.192 2.215 11.569 1.00 0.00 C ATOM 1992 C THR A 127 1.120 3.467 10.705 1.00 0.00 C ATOM 1993 O THR A 127 0.641 4.509 11.147 1.00 0.00 O ATOM 1994 CB THR A 127 2.450 2.250 12.438 1.00 0.00 C ATOM 1995 OG1 THR A 127 2.557 1.069 13.214 1.00 0.00 O ATOM 1996 CG2 THR A 127 2.491 3.429 13.386 1.00 0.00 C ATOM 0 H THR A 127 2.047 0.483 10.768 1.00 0.00 H new ATOM 0 HA THR A 127 0.317 2.188 12.218 1.00 0.00 H new ATOM 0 HB THR A 127 3.281 2.339 11.739 1.00 0.00 H new ATOM 0 HG1 THR A 127 3.040 0.385 12.704 1.00 0.00 H new ATOM 0 HG21 THR A 127 3.409 3.393 13.972 1.00 0.00 H new ATOM 0 HG22 THR A 127 2.462 4.357 12.814 1.00 0.00 H new ATOM 0 HG23 THR A 127 1.632 3.388 14.055 1.00 0.00 H new ATOM 2004 N TYR A 128 1.609 3.360 9.469 1.00 0.00 N ATOM 2005 CA TYR A 128 1.609 4.488 8.548 1.00 0.00 C ATOM 2006 C TYR A 128 0.211 4.746 8.000 1.00 0.00 C ATOM 2007 O TYR A 128 -0.351 5.816 8.209 1.00 0.00 O ATOM 2008 CB TYR A 128 2.582 4.232 7.397 1.00 0.00 C ATOM 2009 CG TYR A 128 4.024 4.509 7.754 1.00 0.00 C ATOM 2010 CD1 TYR A 128 4.554 4.082 8.965 1.00 0.00 C ATOM 2011 CD2 TYR A 128 4.855 5.199 6.881 1.00 0.00 C ATOM 2012 CE1 TYR A 128 5.873 4.335 9.295 1.00 0.00 C ATOM 2013 CE2 TYR A 128 6.174 5.455 7.204 1.00 0.00 C ATOM 2014 CZ TYR A 128 6.678 5.020 8.412 1.00 0.00 C ATOM 2015 OH TYR A 128 7.990 5.274 8.739 1.00 0.00 O ATOM 0 H TYR A 128 2.009 2.503 9.087 1.00 0.00 H new ATOM 0 HA TYR A 128 1.931 5.373 9.098 1.00 0.00 H new ATOM 0 HB2 TYR A 128 2.488 3.194 7.076 1.00 0.00 H new ATOM 0 HB3 TYR A 128 2.300 4.855 6.548 1.00 0.00 H new ATOM 0 HD1 TYR A 128 3.926 3.544 9.660 1.00 0.00 H new ATOM 0 HD2 TYR A 128 4.464 5.541 5.934 1.00 0.00 H new ATOM 0 HE1 TYR A 128 6.270 3.997 10.241 1.00 0.00 H new ATOM 0 HE2 TYR A 128 6.807 5.993 6.514 1.00 0.00 H new ATOM 0 HH TYR A 128 8.048 6.126 9.220 1.00 0.00 H new ATOM 2025 N ILE A 129 -0.348 3.758 7.308 1.00 0.00 N ATOM 2026 CA ILE A 129 -1.680 3.883 6.744 1.00 0.00 C ATOM 2027 C ILE A 129 -2.712 4.160 7.835 1.00 0.00 C ATOM 2028 O ILE A 129 -3.772 4.729 7.569 1.00 0.00 O ATOM 2029 CB ILE A 129 -2.066 2.608 5.974 1.00 0.00 C ATOM 2030 CG1 ILE A 129 -3.389 2.840 5.247 1.00 0.00 C ATOM 2031 CG2 ILE A 129 -2.148 1.411 6.913 1.00 0.00 C ATOM 2032 CD1 ILE A 129 -4.569 2.234 5.952 1.00 0.00 C ATOM 0 H ILE A 129 0.105 2.862 7.126 1.00 0.00 H new ATOM 0 HA ILE A 129 -1.669 4.725 6.052 1.00 0.00 H new ATOM 0 HB ILE A 129 -1.296 2.384 5.236 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -3.552 3.912 5.137 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -3.321 2.423 4.242 1.00 0.00 H new ATOM 0 HG21 ILE A 129 -2.422 0.522 6.346 1.00 0.00 H new ATOM 0 HG22 ILE A 129 -1.180 1.254 7.388 1.00 0.00 H new ATOM 0 HG23 ILE A 129 -2.901 1.600 7.678 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -5.476 2.436 5.382 1.00 0.00 H new ATOM 0 HD12 ILE A 129 -4.427 1.157 6.039 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -4.661 2.669 6.947 1.00 0.00 H new ATOM 2044 N SER A 130 -2.395 3.756 9.061 1.00 0.00 N ATOM 2045 CA SER A 130 -3.293 3.962 10.192 1.00 0.00 C ATOM 2046 C SER A 130 -3.270 5.418 10.655 1.00 0.00 C ATOM 2047 O SER A 130 -4.318 6.023 10.878 1.00 0.00 O ATOM 2048 CB SER A 130 -2.908 3.037 11.349 1.00 0.00 C ATOM 2049 OG SER A 130 -3.491 3.470 12.565 1.00 0.00 O ATOM 0 H SER A 130 -1.522 3.284 9.297 1.00 0.00 H new ATOM 0 HA SER A 130 -4.306 3.724 9.866 1.00 0.00 H new ATOM 0 HB2 SER A 130 -3.232 2.020 11.129 1.00 0.00 H new ATOM 0 HB3 SER A 130 -1.823 3.010 11.452 1.00 0.00 H new ATOM 0 HG SER A 130 -3.231 2.861 13.288 1.00 0.00 H new ATOM 2055 N LYS A 131 -2.070 5.974 10.793 1.00 0.00 N ATOM 2056 CA LYS A 131 -1.914 7.360 11.224 1.00 0.00 C ATOM 2057 C LYS A 131 -2.091 8.313 10.047 1.00 0.00 C ATOM 2058 O LYS A 131 -2.538 9.448 10.211 1.00 0.00 O ATOM 2059 CB LYS A 131 -0.541 7.567 11.865 1.00 0.00 C ATOM 2060 CG LYS A 131 0.619 7.220 10.946 1.00 0.00 C ATOM 2061 CD LYS A 131 1.098 8.433 10.168 1.00 0.00 C ATOM 2062 CE LYS A 131 2.503 8.848 10.578 1.00 0.00 C ATOM 2063 NZ LYS A 131 3.437 8.873 9.418 1.00 0.00 N ATOM 0 H LYS A 131 -1.192 5.487 10.613 1.00 0.00 H new ATOM 0 HA LYS A 131 -2.685 7.576 11.964 1.00 0.00 H new ATOM 0 HB2 LYS A 131 -0.448 8.607 12.176 1.00 0.00 H new ATOM 0 HB3 LYS A 131 -0.474 6.957 12.766 1.00 0.00 H new ATOM 0 HG2 LYS A 131 1.443 6.816 11.535 1.00 0.00 H new ATOM 0 HG3 LYS A 131 0.312 6.439 10.250 1.00 0.00 H new ATOM 0 HD2 LYS A 131 1.081 8.210 9.101 1.00 0.00 H new ATOM 0 HD3 LYS A 131 0.411 9.264 10.331 1.00 0.00 H new ATOM 0 HE2 LYS A 131 2.470 9.835 11.038 1.00 0.00 H new ATOM 0 HE3 LYS A 131 2.880 8.157 11.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 4.209 9.544 9.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 3.833 7.923 9.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 2.923 9.170 8.564 1.00 0.00 H new ATOM 2077 N TYR A 132 -1.745 7.834 8.856 1.00 0.00 N ATOM 2078 CA TYR A 132 -1.870 8.626 7.639 1.00 0.00 C ATOM 2079 C TYR A 132 -3.335 8.865 7.287 1.00 0.00 C ATOM 2080 O TYR A 132 -3.644 9.673 6.415 1.00 0.00 O ATOM 2081 CB TYR A 132 -1.139 7.961 6.476 1.00 0.00 C ATOM 2082 CG TYR A 132 0.295 8.428 6.337 1.00 0.00 C ATOM 2083 CD1 TYR A 132 0.591 9.777 6.170 1.00 0.00 C ATOM 2084 CD2 TYR A 132 1.350 7.527 6.380 1.00 0.00 C ATOM 2085 CE1 TYR A 132 1.897 10.211 6.047 1.00 0.00 C ATOM 2086 CE2 TYR A 132 2.660 7.955 6.260 1.00 0.00 C ATOM 2087 CZ TYR A 132 2.927 9.296 6.092 1.00 0.00 C ATOM 2088 OH TYR A 132 4.230 9.724 5.971 1.00 0.00 O ATOM 0 H TYR A 132 -1.374 6.895 8.709 1.00 0.00 H new ATOM 0 HA TYR A 132 -1.404 9.594 7.825 1.00 0.00 H new ATOM 0 HB2 TYR A 132 -1.152 6.880 6.616 1.00 0.00 H new ATOM 0 HB3 TYR A 132 -1.675 8.169 5.550 1.00 0.00 H new ATOM 0 HD1 TYR A 132 -0.213 10.497 6.136 1.00 0.00 H new ATOM 0 HD2 TYR A 132 1.145 6.475 6.509 1.00 0.00 H new ATOM 0 HE1 TYR A 132 2.110 11.262 5.916 1.00 0.00 H new ATOM 0 HE2 TYR A 132 3.470 7.241 6.298 1.00 0.00 H new ATOM 0 HH TYR A 132 4.834 8.954 6.025 1.00 0.00 H new ATOM 2098 N GLN A 133 -4.235 8.150 7.967 1.00 0.00 N ATOM 2099 CA GLN A 133 -5.676 8.272 7.735 1.00 0.00 C ATOM 2100 C GLN A 133 -6.121 9.725 7.517 1.00 0.00 C ATOM 2101 O GLN A 133 -7.197 9.968 6.978 1.00 0.00 O ATOM 2102 CB GLN A 133 -6.447 7.665 8.909 1.00 0.00 C ATOM 2103 CG GLN A 133 -7.501 6.654 8.487 1.00 0.00 C ATOM 2104 CD GLN A 133 -8.816 6.840 9.218 1.00 0.00 C ATOM 2105 OE1 GLN A 133 -9.057 7.877 9.834 1.00 0.00 O ATOM 2106 NE2 GLN A 133 -9.677 5.830 9.153 1.00 0.00 N ATOM 0 H GLN A 133 -3.987 7.474 8.690 1.00 0.00 H new ATOM 0 HA GLN A 133 -5.898 7.726 6.818 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -5.742 7.181 9.585 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -6.928 8.466 9.470 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -7.671 6.739 7.414 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -7.127 5.647 8.671 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -9.436 4.988 8.631 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -10.579 5.897 9.625 1.00 0.00 H new ATOM 2115 N ASP A 134 -5.299 10.685 7.934 1.00 0.00 N ATOM 2116 CA ASP A 134 -5.632 12.094 7.766 1.00 0.00 C ATOM 2117 C ASP A 134 -5.037 12.640 6.469 1.00 0.00 C ATOM 2118 O ASP A 134 -4.198 11.993 5.841 1.00 0.00 O ATOM 2119 CB ASP A 134 -5.127 12.904 8.962 1.00 0.00 C ATOM 2120 CG ASP A 134 -6.230 13.221 9.952 1.00 0.00 C ATOM 2121 OD1 ASP A 134 -7.275 13.758 9.526 1.00 0.00 O ATOM 2122 OD2 ASP A 134 -6.050 12.932 11.154 1.00 0.00 O ATOM 0 H ASP A 134 -4.402 10.513 8.388 1.00 0.00 H new ATOM 0 HA ASP A 134 -6.717 12.186 7.711 1.00 0.00 H new ATOM 0 HB2 ASP A 134 -4.338 12.347 9.467 1.00 0.00 H new ATOM 0 HB3 ASP A 134 -4.683 13.834 8.606 1.00 0.00 H new ATOM 2127 N PRO A 135 -5.462 13.844 6.047 1.00 0.00 N ATOM 2128 CA PRO A 135 -4.964 14.471 4.818 1.00 0.00 C ATOM 2129 C PRO A 135 -3.488 14.830 4.915 1.00 0.00 C ATOM 2130 O PRO A 135 -2.754 14.764 3.927 1.00 0.00 O ATOM 2131 CB PRO A 135 -5.810 15.738 4.693 1.00 0.00 C ATOM 2132 CG PRO A 135 -6.236 16.032 6.083 1.00 0.00 C ATOM 2133 CD PRO A 135 -6.454 14.693 6.728 1.00 0.00 C ATOM 0 HA PRO A 135 -5.044 13.804 3.960 1.00 0.00 H new ATOM 0 HB2 PRO A 135 -5.234 16.561 4.271 1.00 0.00 H new ATOM 0 HB3 PRO A 135 -6.668 15.581 4.039 1.00 0.00 H new ATOM 0 HG2 PRO A 135 -5.475 16.604 6.614 1.00 0.00 H new ATOM 0 HG3 PRO A 135 -7.149 16.627 6.096 1.00 0.00 H new ATOM 0 HD2 PRO A 135 -6.286 14.729 7.804 1.00 0.00 H new ATOM 0 HD3 PRO A 135 -7.471 14.330 6.576 1.00 0.00 H new ATOM 2141 N SER A 136 -3.059 15.210 6.113 1.00 0.00 N ATOM 2142 CA SER A 136 -1.675 15.580 6.349 1.00 0.00 C ATOM 2143 C SER A 136 -1.381 15.647 7.839 1.00 0.00 C ATOM 2144 O SER A 136 -1.209 16.731 8.399 1.00 0.00 O ATOM 2145 CB SER A 136 -1.362 16.931 5.707 1.00 0.00 C ATOM 2146 OG SER A 136 -1.935 17.033 4.415 1.00 0.00 O ATOM 0 H SER A 136 -3.656 15.269 6.938 1.00 0.00 H new ATOM 0 HA SER A 136 -1.044 14.815 5.897 1.00 0.00 H new ATOM 0 HB2 SER A 136 -1.742 17.733 6.340 1.00 0.00 H new ATOM 0 HB3 SER A 136 -0.282 17.062 5.639 1.00 0.00 H new ATOM 0 HG SER A 136 -1.766 16.207 3.916 1.00 0.00 H new ATOM 2152 N GLN A 137 -1.313 14.484 8.480 1.00 0.00 N ATOM 2153 CA GLN A 137 -1.023 14.412 9.911 1.00 0.00 C ATOM 2154 C GLN A 137 0.121 15.357 10.275 1.00 0.00 C ATOM 2155 O GLN A 137 0.197 15.857 11.397 1.00 0.00 O ATOM 2156 CB GLN A 137 -0.665 12.979 10.311 1.00 0.00 C ATOM 2157 CG GLN A 137 0.262 12.283 9.326 1.00 0.00 C ATOM 2158 CD GLN A 137 1.596 11.905 9.942 1.00 0.00 C ATOM 2159 OE1 GLN A 137 1.771 11.964 11.159 1.00 0.00 O ATOM 2160 NE2 GLN A 137 2.546 11.515 9.100 1.00 0.00 N ATOM 0 H GLN A 137 -1.454 13.578 8.033 1.00 0.00 H new ATOM 0 HA GLN A 137 -1.916 14.718 10.456 1.00 0.00 H new ATOM 0 HB2 GLN A 137 -0.193 12.993 11.293 1.00 0.00 H new ATOM 0 HB3 GLN A 137 -1.582 12.398 10.406 1.00 0.00 H new ATOM 0 HG2 GLN A 137 -0.226 11.385 8.947 1.00 0.00 H new ATOM 0 HG3 GLN A 137 0.434 12.937 8.471 1.00 0.00 H new ATOM 0 HE21 GLN A 137 2.357 11.481 8.098 1.00 0.00 H new ATOM 0 HE22 GLN A 137 3.465 11.249 9.455 1.00 0.00 H new ATOM 2169 N ALA A 138 1.002 15.603 9.305 1.00 0.00 N ATOM 2170 CA ALA A 138 2.141 16.494 9.494 1.00 0.00 C ATOM 2171 C ALA A 138 3.247 15.811 10.289 1.00 0.00 C ATOM 2172 O ALA A 138 3.960 16.455 11.060 1.00 0.00 O ATOM 2173 CB ALA A 138 1.708 17.780 10.184 1.00 0.00 C ATOM 0 H ALA A 138 0.945 15.192 8.373 1.00 0.00 H new ATOM 0 HA ALA A 138 2.536 16.744 8.509 1.00 0.00 H new ATOM 0 HB1 ALA A 138 2.572 18.431 10.316 1.00 0.00 H new ATOM 0 HB2 ALA A 138 0.961 18.287 9.573 1.00 0.00 H new ATOM 0 HB3 ALA A 138 1.280 17.544 11.158 1.00 0.00 H new ATOM 2179 N ASP A 139 3.384 14.503 10.100 1.00 0.00 N ATOM 2180 CA ASP A 139 4.403 13.732 10.803 1.00 0.00 C ATOM 2181 C ASP A 139 4.197 13.812 12.313 1.00 0.00 C ATOM 2182 O ASP A 139 5.155 13.765 13.085 1.00 0.00 O ATOM 2183 CB ASP A 139 5.799 14.238 10.440 1.00 0.00 C ATOM 2184 CG ASP A 139 6.830 13.126 10.422 1.00 0.00 C ATOM 2185 OD1 ASP A 139 6.533 12.049 9.864 1.00 0.00 O ATOM 2186 OD2 ASP A 139 7.935 13.331 10.968 1.00 0.00 O ATOM 0 H ASP A 139 2.803 13.955 9.466 1.00 0.00 H new ATOM 0 HA ASP A 139 4.312 12.690 10.495 1.00 0.00 H new ATOM 0 HB2 ASP A 139 5.766 14.715 9.461 1.00 0.00 H new ATOM 0 HB3 ASP A 139 6.104 15.001 11.156 1.00 0.00 H new ATOM 2191 N ALA A 140 2.939 13.936 12.726 1.00 0.00 N ATOM 2192 CA ALA A 140 2.604 14.023 14.141 1.00 0.00 C ATOM 2193 C ALA A 140 2.678 12.654 14.808 1.00 0.00 C ATOM 2194 O ALA A 140 3.394 11.778 14.280 1.00 0.00 O ATOM 2195 CB ALA A 140 1.217 14.624 14.316 1.00 0.00 C ATOM 2196 OXT ALA A 140 2.019 12.469 15.853 1.00 0.00 O ATOM 0 H ALA A 140 2.135 13.978 12.099 1.00 0.00 H new ATOM 0 HA ALA A 140 3.334 14.672 14.624 1.00 0.00 H new ATOM 0 HB1 ALA A 140 0.978 14.684 15.378 1.00 0.00 H new ATOM 0 HB2 ALA A 140 1.196 15.624 13.882 1.00 0.00 H new ATOM 0 HB3 ALA A 140 0.482 13.995 13.813 1.00 0.00 H new TER 2202 ALA A 140