USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 608 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 64 ASN : amide:sc= -1.23 K(o=-0.64,f=-4.8!) USER MOD Set 1.2: A 66 THR OG1 : rot 125:sc= 0.59 USER MOD Set 1.3: A 67 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 6 TYR OH : rot -111:sc= 1.65 USER MOD Set 2.2: A 14 THR OG1 : rot 154:sc= 1.99 USER MOD Set 2.3: A 38 TYR OH : rot -102:sc= 2.53 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -133:sc= -0.794 (180deg=-3.63!) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.0339 USER MOD Single : A 7 TYR OH : rot 94:sc= 0.0218 USER MOD Single : A 9 THR OG1 : rot -110:sc= -0.18 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 149:sc= 0.906 USER MOD Single : A 22 ASN : amide:sc= -0.132 K(o=-0.13,f=-1.9!) USER MOD Single : A 25 SER OG : rot -91:sc= 0.398 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot -48:sc= -1 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -0.0388 K(o=-0.039,f=-2.1) USER MOD Single : A 46 MET CE :methyl -152:sc= -0.0113 (180deg=-0.561) USER MOD Single : A 47 TYR OH : rot -109:sc= 0.245 USER MOD Single : A 50 ASN : amide:sc= -0.0606 X(o=-0.061,f=-0.13) USER MOD Single : A 51 ASN : amide:sc= -0.358 X(o=-0.36,f=-0.36) USER MOD Single : A 54 LYS NZ :NH3+ 161:sc= -0.0788 (180deg=-0.681) USER MOD Single : A 55 ASN : amide:sc= -1.19 K(o=-1.2,f=-2!) USER MOD Single : A 61 ASN :FLIP amide:sc= -3.37 F(o=-5,f=-3.4) USER MOD Single : A 63 ASN : amide:sc= -0.19 X(o=-0.19,f=-0.075) USER MOD Single : A 68 MET CE :methyl -160:sc= -0.186 (180deg=-0.817) USER MOD Single : A 69 LYS NZ :NH3+ 167:sc= -0.0108 (180deg=-0.158) USER MOD Single : A 73 THR OG1 : rot 63:sc= 1.23 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.728 12.106 6.960 1.00 15.15 N ATOM 2 CA MET A 1 -1.855 11.027 7.407 1.00 32.42 C ATOM 3 C MET A 1 -2.415 9.669 6.994 1.00 35.22 C ATOM 4 O MET A 1 -3.629 9.484 6.919 1.00 11.11 O ATOM 5 CB MET A 1 -1.680 11.079 8.925 1.00 35.11 C ATOM 6 CG MET A 1 -0.956 9.870 9.496 1.00 14.14 C ATOM 7 SD MET A 1 -0.066 10.248 11.018 1.00 20.40 S ATOM 8 CE MET A 1 -1.420 10.337 12.188 1.00 70.02 C ATOM 0 H1 MET A 1 -2.158 12.849 6.508 1.00 15.15 H new ATOM 0 H2 MET A 1 -3.417 11.734 6.276 1.00 15.15 H new ATOM 0 H3 MET A 1 -3.232 12.505 7.777 1.00 15.15 H new ATOM 0 HA MET A 1 -0.883 11.159 6.932 1.00 32.42 H new ATOM 0 HB2 MET A 1 -1.127 11.981 9.188 1.00 35.11 H new ATOM 0 HB3 MET A 1 -2.661 11.159 9.393 1.00 35.11 H new ATOM 0 HG2 MET A 1 -1.678 9.077 9.689 1.00 14.14 H new ATOM 0 HG3 MET A 1 -0.254 9.488 8.755 1.00 14.14 H new ATOM 0 HE1 MET A 1 -1.029 10.565 13.180 1.00 70.02 H new ATOM 0 HE2 MET A 1 -2.114 11.120 11.883 1.00 70.02 H new ATOM 0 HE3 MET A 1 -1.942 9.380 12.214 1.00 70.02 H new ATOM 16 N VAL A 2 -1.521 8.722 6.726 1.00 34.31 N ATOM 17 CA VAL A 2 -1.926 7.381 6.322 1.00 60.32 C ATOM 18 C VAL A 2 -1.124 6.318 7.065 1.00 61.51 C ATOM 19 O VAL A 2 0.104 6.382 7.129 1.00 75.10 O ATOM 20 CB VAL A 2 -1.750 7.175 4.806 1.00 32.25 C ATOM 21 CG1 VAL A 2 -2.607 8.163 4.030 1.00 35.02 C ATOM 22 CG2 VAL A 2 -0.285 7.306 4.417 1.00 23.02 C ATOM 0 H VAL A 2 -0.512 8.859 6.781 1.00 34.31 H new ATOM 0 HA VAL A 2 -2.981 7.279 6.575 1.00 60.32 H new ATOM 0 HB VAL A 2 -2.080 6.168 4.553 1.00 32.25 H new ATOM 0 HG11 VAL A 2 -2.470 8.002 2.961 1.00 35.02 H new ATOM 0 HG12 VAL A 2 -3.656 8.015 4.287 1.00 35.02 H new ATOM 0 HG13 VAL A 2 -2.311 9.180 4.285 1.00 35.02 H new ATOM 0 HG21 VAL A 2 -0.179 7.157 3.342 1.00 23.02 H new ATOM 0 HG22 VAL A 2 0.075 8.300 4.683 1.00 23.02 H new ATOM 0 HG23 VAL A 2 0.301 6.554 4.946 1.00 23.02 H new ATOM 32 N THR A 3 -1.827 5.338 7.625 1.00 75.30 N ATOM 33 CA THR A 3 -1.182 4.261 8.364 1.00 23.54 C ATOM 34 C THR A 3 -1.326 2.930 7.633 1.00 10.22 C ATOM 35 O THR A 3 -2.428 2.537 7.250 1.00 3.21 O ATOM 36 CB THR A 3 -1.769 4.121 9.781 1.00 74.40 C ATOM 37 OG1 THR A 3 -2.161 5.406 10.277 1.00 32.21 O ATOM 38 CG2 THR A 3 -0.755 3.494 10.726 1.00 0.54 C ATOM 0 H THR A 3 -2.844 5.269 7.580 1.00 75.30 H new ATOM 0 HA THR A 3 -0.126 4.519 8.440 1.00 23.54 H new ATOM 0 HB THR A 3 -2.642 3.471 9.727 1.00 74.40 H new ATOM 0 HG1 THR A 3 -2.535 5.309 11.178 1.00 32.21 H new ATOM 0 HG21 THR A 3 -1.191 3.405 11.721 1.00 0.54 H new ATOM 0 HG22 THR A 3 -0.480 2.505 10.360 1.00 0.54 H new ATOM 0 HG23 THR A 3 0.134 4.123 10.775 1.00 0.54 H new ATOM 46 N VAL A 4 -0.205 2.240 7.444 1.00 11.04 N ATOM 47 CA VAL A 4 -0.208 0.952 6.760 1.00 53.33 C ATOM 48 C VAL A 4 0.363 -0.145 7.653 1.00 11.33 C ATOM 49 O VAL A 4 1.346 0.067 8.362 1.00 72.11 O ATOM 50 CB VAL A 4 0.605 1.009 5.454 1.00 25.13 C ATOM 51 CG1 VAL A 4 0.431 -0.277 4.659 1.00 13.45 C ATOM 52 CG2 VAL A 4 0.197 2.216 4.624 1.00 13.24 C ATOM 0 H VAL A 4 0.715 2.551 7.755 1.00 11.04 H new ATOM 0 HA VAL A 4 -1.247 0.721 6.523 1.00 53.33 H new ATOM 0 HB VAL A 4 1.660 1.111 5.709 1.00 25.13 H new ATOM 0 HG11 VAL A 4 1.013 -0.218 3.739 1.00 13.45 H new ATOM 0 HG12 VAL A 4 0.777 -1.122 5.254 1.00 13.45 H new ATOM 0 HG13 VAL A 4 -0.622 -0.413 4.414 1.00 13.45 H new ATOM 0 HG21 VAL A 4 0.782 2.240 3.705 1.00 13.24 H new ATOM 0 HG22 VAL A 4 -0.863 2.147 4.378 1.00 13.24 H new ATOM 0 HG23 VAL A 4 0.379 3.127 5.194 1.00 13.24 H new ATOM 62 N ARG A 5 -0.263 -1.317 7.614 1.00 62.34 N ATOM 63 CA ARG A 5 0.182 -2.447 8.420 1.00 21.20 C ATOM 64 C ARG A 5 0.739 -3.559 7.536 1.00 4.42 C ATOM 65 O ARG A 5 0.441 -3.626 6.344 1.00 23.24 O ATOM 66 CB ARG A 5 -0.974 -2.983 9.266 1.00 42.23 C ATOM 67 CG ARG A 5 -0.523 -3.735 10.508 1.00 53.23 C ATOM 68 CD ARG A 5 -1.700 -4.097 11.399 1.00 70.31 C ATOM 69 NE ARG A 5 -1.931 -3.094 12.435 1.00 54.42 N ATOM 70 CZ ARG A 5 -1.227 -3.025 13.560 1.00 35.10 C ATOM 71 NH1 ARG A 5 -0.254 -3.894 13.792 1.00 30.23 N ATOM 72 NH2 ARG A 5 -1.497 -2.083 14.455 1.00 4.40 N ATOM 0 H ARG A 5 -1.079 -1.508 7.033 1.00 62.34 H new ATOM 0 HA ARG A 5 0.976 -2.100 9.081 1.00 21.20 H new ATOM 0 HB2 ARG A 5 -1.610 -2.150 9.567 1.00 42.23 H new ATOM 0 HB3 ARG A 5 -1.585 -3.645 8.653 1.00 42.23 H new ATOM 0 HG2 ARG A 5 0.004 -4.642 10.214 1.00 53.23 H new ATOM 0 HG3 ARG A 5 0.184 -3.123 11.068 1.00 53.23 H new ATOM 0 HD2 ARG A 5 -2.597 -4.202 10.789 1.00 70.31 H new ATOM 0 HD3 ARG A 5 -1.517 -5.065 11.866 1.00 70.31 H new ATOM 0 HE ARG A 5 -2.673 -2.410 12.287 1.00 54.42 H new ATOM 0 HH11 ARG A 5 -0.043 -4.619 13.106 1.00 30.23 H new ATOM 0 HH12 ARG A 5 0.284 -3.838 14.657 1.00 30.23 H new ATOM 0 HH21 ARG A 5 -2.245 -1.412 14.279 1.00 4.40 H new ATOM 0 HH22 ARG A 5 -0.957 -2.030 15.319 1.00 4.40 H new ATOM 83 N TYR A 6 1.547 -4.431 8.130 1.00 75.21 N ATOM 84 CA TYR A 6 2.148 -5.539 7.395 1.00 54.55 C ATOM 85 C TYR A 6 2.137 -6.815 8.232 1.00 35.53 C ATOM 86 O TYR A 6 2.316 -6.775 9.449 1.00 11.34 O ATOM 87 CB TYR A 6 3.582 -5.192 6.993 1.00 63.32 C ATOM 88 CG TYR A 6 3.752 -3.764 6.527 1.00 64.51 C ATOM 89 CD1 TYR A 6 3.144 -3.316 5.362 1.00 34.51 C ATOM 90 CD2 TYR A 6 4.522 -2.863 7.253 1.00 33.15 C ATOM 91 CE1 TYR A 6 3.298 -2.011 4.931 1.00 3.44 C ATOM 92 CE2 TYR A 6 4.680 -1.557 6.832 1.00 11.54 C ATOM 93 CZ TYR A 6 4.066 -1.136 5.671 1.00 24.02 C ATOM 94 OH TYR A 6 4.220 0.164 5.246 1.00 53.13 O ATOM 0 H TYR A 6 1.801 -4.392 9.117 1.00 75.21 H new ATOM 0 HA TYR A 6 1.557 -5.710 6.495 1.00 54.55 H new ATOM 0 HB2 TYR A 6 4.241 -5.369 7.843 1.00 63.32 H new ATOM 0 HB3 TYR A 6 3.900 -5.865 6.197 1.00 63.32 H new ATOM 0 HD1 TYR A 6 2.540 -3.999 4.782 1.00 34.51 H new ATOM 0 HD2 TYR A 6 5.005 -3.190 8.162 1.00 33.15 H new ATOM 0 HE1 TYR A 6 2.820 -1.679 4.021 1.00 3.44 H new ATOM 0 HE2 TYR A 6 5.281 -0.869 7.409 1.00 11.54 H new ATOM 0 HH TYR A 6 5.144 0.304 4.950 1.00 53.13 H new ATOM 103 N TYR A 7 1.926 -7.946 7.568 1.00 0.22 N ATOM 104 CA TYR A 7 1.889 -9.235 8.248 1.00 50.12 C ATOM 105 C TYR A 7 3.161 -10.033 7.975 1.00 73.42 C ATOM 106 O TYR A 7 4.076 -9.551 7.308 1.00 71.03 O ATOM 107 CB TYR A 7 0.666 -10.037 7.802 1.00 15.45 C ATOM 108 CG TYR A 7 -0.537 -9.857 8.700 1.00 34.11 C ATOM 109 CD1 TYR A 7 -1.068 -8.595 8.939 1.00 72.12 C ATOM 110 CD2 TYR A 7 -1.144 -10.949 9.309 1.00 15.23 C ATOM 111 CE1 TYR A 7 -2.166 -8.426 9.759 1.00 53.55 C ATOM 112 CE2 TYR A 7 -2.244 -10.789 10.130 1.00 51.34 C ATOM 113 CZ TYR A 7 -2.750 -9.526 10.353 1.00 23.41 C ATOM 114 OH TYR A 7 -3.845 -9.362 11.170 1.00 31.12 O ATOM 0 H TYR A 7 1.778 -7.996 6.560 1.00 0.22 H new ATOM 0 HA TYR A 7 1.822 -9.048 9.320 1.00 50.12 H new ATOM 0 HB2 TYR A 7 0.399 -9.742 6.787 1.00 15.45 H new ATOM 0 HB3 TYR A 7 0.928 -11.094 7.768 1.00 15.45 H new ATOM 0 HD1 TYR A 7 -0.614 -7.732 8.475 1.00 72.12 H new ATOM 0 HD2 TYR A 7 -0.749 -11.940 9.138 1.00 15.23 H new ATOM 0 HE1 TYR A 7 -2.566 -7.438 9.935 1.00 53.55 H new ATOM 0 HE2 TYR A 7 -2.705 -11.648 10.594 1.00 51.34 H new ATOM 0 HH TYR A 7 -4.665 -9.483 10.647 1.00 31.12 H new ATOM 123 N ALA A 8 3.209 -11.255 8.494 1.00 2.00 N ATOM 124 CA ALA A 8 4.366 -12.121 8.304 1.00 24.32 C ATOM 125 C ALA A 8 4.713 -12.256 6.824 1.00 54.43 C ATOM 126 O ALA A 8 5.866 -12.500 6.467 1.00 31.33 O ATOM 127 CB ALA A 8 4.106 -13.490 8.914 1.00 23.15 C ATOM 0 H ALA A 8 2.460 -11.668 9.050 1.00 2.00 H new ATOM 0 HA ALA A 8 5.217 -11.666 8.810 1.00 24.32 H new ATOM 0 HB1 ALA A 8 4.978 -14.126 8.765 1.00 23.15 H new ATOM 0 HB2 ALA A 8 3.914 -13.382 9.981 1.00 23.15 H new ATOM 0 HB3 ALA A 8 3.239 -13.944 8.433 1.00 23.15 H new ATOM 133 N THR A 9 3.709 -12.096 5.968 1.00 12.42 N ATOM 134 CA THR A 9 3.908 -12.201 4.529 1.00 24.50 C ATOM 135 C THR A 9 4.792 -11.072 4.011 1.00 24.01 C ATOM 136 O THR A 9 5.524 -11.240 3.036 1.00 24.53 O ATOM 137 CB THR A 9 2.566 -12.176 3.772 1.00 55.23 C ATOM 138 OG1 THR A 9 1.909 -13.441 3.898 1.00 5.33 O ATOM 139 CG2 THR A 9 2.781 -11.854 2.301 1.00 12.21 C ATOM 0 H THR A 9 2.749 -11.893 6.247 1.00 12.42 H new ATOM 0 HA THR A 9 4.401 -13.156 4.348 1.00 24.50 H new ATOM 0 HB THR A 9 1.941 -11.398 4.210 1.00 55.23 H new ATOM 0 HG1 THR A 9 1.917 -13.901 3.033 1.00 5.33 H new ATOM 0 HG21 THR A 9 1.820 -11.842 1.787 1.00 12.21 H new ATOM 0 HG22 THR A 9 3.255 -10.877 2.208 1.00 12.21 H new ATOM 0 HG23 THR A 9 3.423 -12.612 1.853 1.00 12.21 H new ATOM 147 N LEU A 10 4.720 -9.922 4.671 1.00 1.21 N ATOM 148 CA LEU A 10 5.515 -8.763 4.278 1.00 41.23 C ATOM 149 C LEU A 10 6.545 -8.421 5.350 1.00 62.14 C ATOM 150 O LEU A 10 7.084 -7.315 5.376 1.00 22.03 O ATOM 151 CB LEU A 10 4.607 -7.559 4.024 1.00 12.41 C ATOM 152 CG LEU A 10 3.624 -7.693 2.861 1.00 42.42 C ATOM 153 CD1 LEU A 10 2.600 -6.569 2.896 1.00 71.32 C ATOM 154 CD2 LEU A 10 4.366 -7.701 1.534 1.00 31.03 C ATOM 0 H LEU A 10 4.120 -9.766 5.481 1.00 1.21 H new ATOM 0 HA LEU A 10 6.044 -9.011 3.358 1.00 41.23 H new ATOM 0 HB2 LEU A 10 4.039 -7.360 4.933 1.00 12.41 H new ATOM 0 HB3 LEU A 10 5.236 -6.687 3.844 1.00 12.41 H new ATOM 0 HG LEU A 10 3.096 -8.641 2.964 1.00 42.42 H new ATOM 0 HD11 LEU A 10 1.909 -6.681 2.061 1.00 71.32 H new ATOM 0 HD12 LEU A 10 2.046 -6.611 3.834 1.00 71.32 H new ATOM 0 HD13 LEU A 10 3.111 -5.609 2.819 1.00 71.32 H new ATOM 0 HD21 LEU A 10 3.650 -7.797 0.718 1.00 31.03 H new ATOM 0 HD22 LEU A 10 4.921 -6.770 1.422 1.00 31.03 H new ATOM 0 HD23 LEU A 10 5.059 -8.542 1.510 1.00 31.03 H new ATOM 165 N ARG A 11 6.816 -9.379 6.231 1.00 64.30 N ATOM 166 CA ARG A 11 7.782 -9.179 7.303 1.00 50.35 C ATOM 167 C ARG A 11 9.167 -8.876 6.738 1.00 13.12 C ATOM 168 O ARG A 11 9.753 -7.824 6.998 1.00 61.51 O ATOM 169 CB ARG A 11 7.846 -10.419 8.198 1.00 53.04 C ATOM 170 CG ARG A 11 7.363 -10.170 9.618 1.00 24.24 C ATOM 171 CD ARG A 11 7.495 -11.418 10.478 1.00 32.13 C ATOM 172 NE ARG A 11 8.878 -11.877 10.567 1.00 63.33 N ATOM 173 CZ ARG A 11 9.221 -13.111 10.919 1.00 54.11 C ATOM 174 NH1 ARG A 11 8.286 -14.004 11.212 1.00 42.42 N ATOM 175 NH2 ARG A 11 10.502 -13.454 10.977 1.00 13.13 N ATOM 0 H ARG A 11 6.380 -10.301 6.223 1.00 64.30 H new ATOM 0 HA ARG A 11 7.456 -8.325 7.897 1.00 50.35 H new ATOM 0 HB2 ARG A 11 7.244 -11.210 7.752 1.00 53.04 H new ATOM 0 HB3 ARG A 11 8.874 -10.781 8.231 1.00 53.04 H new ATOM 0 HG2 ARG A 11 7.939 -9.358 10.062 1.00 24.24 H new ATOM 0 HG3 ARG A 11 6.322 -9.849 9.598 1.00 24.24 H new ATOM 0 HD2 ARG A 11 7.117 -11.210 11.479 1.00 32.13 H new ATOM 0 HD3 ARG A 11 6.875 -12.212 10.062 1.00 32.13 H new ATOM 0 HE ARG A 11 9.621 -11.214 10.347 1.00 63.33 H new ATOM 0 HH11 ARG A 11 7.301 -13.744 11.167 1.00 42.42 H new ATOM 0 HH12 ARG A 11 8.552 -14.951 11.482 1.00 42.42 H new ATOM 0 HH21 ARG A 11 11.224 -12.770 10.751 1.00 13.13 H new ATOM 0 HH22 ARG A 11 10.764 -14.402 11.247 1.00 13.13 H new ATOM 186 N PRO A 12 9.704 -9.818 5.949 1.00 32.21 N ATOM 187 CA PRO A 12 11.026 -9.673 5.331 1.00 23.02 C ATOM 188 C PRO A 12 11.042 -8.609 4.239 1.00 21.12 C ATOM 189 O PRO A 12 12.102 -8.249 3.726 1.00 13.11 O ATOM 190 CB PRO A 12 11.291 -11.057 4.733 1.00 13.24 C ATOM 191 CG PRO A 12 9.938 -11.635 4.500 1.00 11.33 C ATOM 192 CD PRO A 12 9.063 -11.095 5.597 1.00 45.32 C ATOM 0 HA PRO A 12 11.780 -9.353 6.050 1.00 23.02 H new ATOM 0 HB2 PRO A 12 11.856 -10.985 3.804 1.00 13.24 H new ATOM 0 HB3 PRO A 12 11.874 -11.677 5.414 1.00 13.24 H new ATOM 0 HG2 PRO A 12 9.555 -11.350 3.520 1.00 11.33 H new ATOM 0 HG3 PRO A 12 9.969 -12.724 4.526 1.00 11.33 H new ATOM 0 HD2 PRO A 12 8.037 -10.949 5.258 1.00 45.32 H new ATOM 0 HD3 PRO A 12 9.023 -11.773 6.450 1.00 45.32 H new ATOM 197 N ILE A 13 9.862 -8.109 3.888 1.00 44.22 N ATOM 198 CA ILE A 13 9.741 -7.086 2.857 1.00 53.11 C ATOM 199 C ILE A 13 9.666 -5.693 3.473 1.00 55.44 C ATOM 200 O ILE A 13 10.044 -4.702 2.846 1.00 62.01 O ATOM 201 CB ILE A 13 8.498 -7.314 1.979 1.00 44.20 C ATOM 202 CG1 ILE A 13 8.387 -8.789 1.587 1.00 42.24 C ATOM 203 CG2 ILE A 13 8.556 -6.434 0.740 1.00 1.04 C ATOM 204 CD1 ILE A 13 7.172 -9.100 0.743 1.00 23.13 C ATOM 0 H ILE A 13 8.976 -8.396 4.303 1.00 44.22 H new ATOM 0 HA ILE A 13 10.632 -7.159 2.234 1.00 53.11 H new ATOM 0 HB ILE A 13 7.612 -7.042 2.552 1.00 44.20 H new ATOM 0 HG12 ILE A 13 9.284 -9.079 1.039 1.00 42.24 H new ATOM 0 HG13 ILE A 13 8.356 -9.396 2.492 1.00 42.24 H new ATOM 0 HG21 ILE A 13 7.670 -6.607 0.129 1.00 1.04 H new ATOM 0 HG22 ILE A 13 8.592 -5.386 1.039 1.00 1.04 H new ATOM 0 HG23 ILE A 13 9.448 -6.677 0.162 1.00 1.04 H new ATOM 0 HD11 ILE A 13 7.158 -10.163 0.503 1.00 23.13 H new ATOM 0 HD12 ILE A 13 6.269 -8.841 1.296 1.00 23.13 H new ATOM 0 HD13 ILE A 13 7.211 -8.520 -0.179 1.00 23.13 H new ATOM 215 N THR A 14 9.177 -5.623 4.708 1.00 72.03 N ATOM 216 CA THR A 14 9.053 -4.351 5.410 1.00 62.11 C ATOM 217 C THR A 14 10.145 -4.196 6.463 1.00 11.23 C ATOM 218 O THR A 14 10.305 -3.127 7.052 1.00 71.42 O ATOM 219 CB THR A 14 7.677 -4.217 6.088 1.00 51.22 C ATOM 220 OG1 THR A 14 7.486 -2.873 6.545 1.00 45.43 O ATOM 221 CG2 THR A 14 7.555 -5.179 7.260 1.00 43.54 C ATOM 0 H THR A 14 8.861 -6.432 5.242 1.00 72.03 H new ATOM 0 HA THR A 14 9.159 -3.564 4.663 1.00 62.11 H new ATOM 0 HB THR A 14 6.909 -4.464 5.355 1.00 51.22 H new ATOM 0 HG1 THR A 14 6.527 -2.677 6.592 1.00 45.43 H new ATOM 0 HG21 THR A 14 6.575 -5.066 7.723 1.00 43.54 H new ATOM 0 HG22 THR A 14 7.672 -6.203 6.904 1.00 43.54 H new ATOM 0 HG23 THR A 14 8.330 -4.959 7.994 1.00 43.54 H new ATOM 229 N LYS A 15 10.893 -5.269 6.695 1.00 34.13 N ATOM 230 CA LYS A 15 11.971 -5.252 7.676 1.00 3.22 C ATOM 231 C LYS A 15 11.423 -5.035 9.083 1.00 55.21 C ATOM 232 O LYS A 15 12.095 -4.460 9.940 1.00 43.11 O ATOM 233 CB LYS A 15 12.981 -4.153 7.336 1.00 45.43 C ATOM 234 CG LYS A 15 14.394 -4.462 7.799 1.00 54.12 C ATOM 235 CD LYS A 15 15.107 -5.394 6.834 1.00 33.14 C ATOM 236 CE LYS A 15 15.692 -4.633 5.654 1.00 1.24 C ATOM 237 NZ LYS A 15 17.013 -4.029 5.983 1.00 22.15 N ATOM 0 H LYS A 15 10.772 -6.162 6.217 1.00 34.13 H new ATOM 0 HA LYS A 15 12.472 -6.220 7.645 1.00 3.22 H new ATOM 0 HB2 LYS A 15 12.987 -3.998 6.257 1.00 45.43 H new ATOM 0 HB3 LYS A 15 12.655 -3.218 7.791 1.00 45.43 H new ATOM 0 HG2 LYS A 15 14.958 -3.534 7.893 1.00 54.12 H new ATOM 0 HG3 LYS A 15 14.362 -4.917 8.789 1.00 54.12 H new ATOM 0 HD2 LYS A 15 15.903 -5.923 7.358 1.00 33.14 H new ATOM 0 HD3 LYS A 15 14.408 -6.148 6.472 1.00 33.14 H new ATOM 0 HE2 LYS A 15 15.803 -5.308 4.805 1.00 1.24 H new ATOM 0 HE3 LYS A 15 15.000 -3.848 5.349 1.00 1.24 H new ATOM 0 HZ1 LYS A 15 17.378 -3.519 5.153 1.00 22.15 H new ATOM 0 HZ2 LYS A 15 16.903 -3.365 6.776 1.00 22.15 H new ATOM 0 HZ3 LYS A 15 17.681 -4.780 6.250 1.00 22.15 H new ATOM 247 N LYS A 16 10.200 -5.499 9.315 1.00 72.13 N ATOM 248 CA LYS A 16 9.563 -5.358 10.619 1.00 5.03 C ATOM 249 C LYS A 16 9.549 -3.900 11.064 1.00 52.24 C ATOM 250 O LYS A 16 9.920 -3.581 12.194 1.00 3.31 O ATOM 251 CB LYS A 16 10.289 -6.214 11.659 1.00 11.32 C ATOM 252 CG LYS A 16 9.362 -6.830 12.695 1.00 31.24 C ATOM 253 CD LYS A 16 9.493 -8.343 12.730 1.00 50.12 C ATOM 254 CE LYS A 16 10.916 -8.771 13.055 1.00 42.40 C ATOM 255 NZ LYS A 16 10.976 -10.182 13.529 1.00 23.21 N ATOM 0 H LYS A 16 9.630 -5.976 8.617 1.00 72.13 H new ATOM 0 HA LYS A 16 8.532 -5.701 10.531 1.00 5.03 H new ATOM 0 HB2 LYS A 16 10.830 -7.011 11.148 1.00 11.32 H new ATOM 0 HB3 LYS A 16 11.032 -5.600 12.168 1.00 11.32 H new ATOM 0 HG2 LYS A 16 9.592 -6.421 13.679 1.00 31.24 H new ATOM 0 HG3 LYS A 16 8.331 -6.558 12.469 1.00 31.24 H new ATOM 0 HD2 LYS A 16 8.810 -8.751 13.475 1.00 50.12 H new ATOM 0 HD3 LYS A 16 9.198 -8.757 11.766 1.00 50.12 H new ATOM 0 HE2 LYS A 16 11.540 -8.659 12.169 1.00 42.40 H new ATOM 0 HE3 LYS A 16 11.327 -8.113 13.820 1.00 42.40 H new ATOM 0 HZ1 LYS A 16 11.962 -10.436 13.740 1.00 23.21 H new ATOM 0 HZ2 LYS A 16 10.401 -10.284 14.389 1.00 23.21 H new ATOM 0 HZ3 LYS A 16 10.607 -10.813 12.789 1.00 23.21 H new ATOM 265 N LYS A 17 9.120 -3.017 10.169 1.00 73.42 N ATOM 266 CA LYS A 17 9.056 -1.592 10.470 1.00 73.24 C ATOM 267 C LYS A 17 7.824 -0.956 9.834 1.00 33.51 C ATOM 268 O LYS A 17 7.595 -1.094 8.632 1.00 52.32 O ATOM 269 CB LYS A 17 10.321 -0.887 9.973 1.00 12.54 C ATOM 270 CG LYS A 17 10.342 0.603 10.267 1.00 32.23 C ATOM 271 CD LYS A 17 11.724 1.195 10.046 1.00 51.32 C ATOM 272 CE LYS A 17 11.734 2.695 10.296 1.00 35.02 C ATOM 273 NZ LYS A 17 11.356 3.463 9.077 1.00 2.51 N ATOM 0 H LYS A 17 8.811 -3.263 9.229 1.00 73.42 H new ATOM 0 HA LYS A 17 8.985 -1.478 11.552 1.00 73.24 H new ATOM 0 HB2 LYS A 17 11.192 -1.352 10.435 1.00 12.54 H new ATOM 0 HB3 LYS A 17 10.412 -1.038 8.897 1.00 12.54 H new ATOM 0 HG2 LYS A 17 9.621 1.111 9.627 1.00 32.23 H new ATOM 0 HG3 LYS A 17 10.031 0.776 11.297 1.00 32.23 H new ATOM 0 HD2 LYS A 17 12.439 0.710 10.710 1.00 51.32 H new ATOM 0 HD3 LYS A 17 12.049 0.993 9.025 1.00 51.32 H new ATOM 0 HE2 LYS A 17 11.042 2.933 11.104 1.00 35.02 H new ATOM 0 HE3 LYS A 17 12.727 3.002 10.625 1.00 35.02 H new ATOM 0 HZ1 LYS A 17 11.375 4.481 9.288 1.00 2.51 H new ATOM 0 HZ2 LYS A 17 12.030 3.256 8.313 1.00 2.51 H new ATOM 0 HZ3 LYS A 17 10.399 3.189 8.777 1.00 2.51 H new ATOM 283 N GLU A 18 7.036 -0.258 10.646 1.00 44.13 N ATOM 284 CA GLU A 18 5.828 0.399 10.160 1.00 61.35 C ATOM 285 C GLU A 18 5.802 1.866 10.578 1.00 65.11 C ATOM 286 O GLU A 18 6.238 2.218 11.673 1.00 40.14 O ATOM 287 CB GLU A 18 4.584 -0.317 10.690 1.00 33.13 C ATOM 288 CG GLU A 18 3.294 0.452 10.457 1.00 53.35 C ATOM 289 CD GLU A 18 2.995 1.440 11.568 1.00 32.12 C ATOM 290 OE1 GLU A 18 2.784 0.995 12.716 1.00 62.32 O ATOM 291 OE2 GLU A 18 2.972 2.657 11.290 1.00 12.31 O ATOM 0 H GLU A 18 7.212 -0.133 11.643 1.00 44.13 H new ATOM 0 HA GLU A 18 5.830 0.350 9.071 1.00 61.35 H new ATOM 0 HB2 GLU A 18 4.506 -1.294 10.213 1.00 33.13 H new ATOM 0 HB3 GLU A 18 4.704 -0.493 11.759 1.00 33.13 H new ATOM 0 HG2 GLU A 18 3.360 0.986 9.509 1.00 53.35 H new ATOM 0 HG3 GLU A 18 2.466 -0.252 10.369 1.00 53.35 H new ATOM 296 N GLU A 19 5.288 2.717 9.696 1.00 31.15 N ATOM 297 CA GLU A 19 5.206 4.146 9.972 1.00 14.24 C ATOM 298 C GLU A 19 4.109 4.800 9.137 1.00 12.01 C ATOM 299 O GLU A 19 3.643 4.233 8.148 1.00 71.12 O ATOM 300 CB GLU A 19 6.549 4.821 9.687 1.00 41.03 C ATOM 301 CG GLU A 19 6.775 6.091 10.490 1.00 0.41 C ATOM 302 CD GLU A 19 8.246 6.404 10.688 1.00 23.45 C ATOM 303 OE1 GLU A 19 8.933 5.614 11.367 1.00 44.50 O ATOM 304 OE2 GLU A 19 8.708 7.437 10.162 1.00 74.11 O ATOM 0 H GLU A 19 4.922 2.442 8.785 1.00 31.15 H new ATOM 0 HA GLU A 19 4.960 4.272 11.026 1.00 14.24 H new ATOM 0 HB2 GLU A 19 7.353 4.117 9.903 1.00 41.03 H new ATOM 0 HB3 GLU A 19 6.609 5.057 8.625 1.00 41.03 H new ATOM 0 HG2 GLU A 19 6.295 6.927 9.982 1.00 0.41 H new ATOM 0 HG3 GLU A 19 6.295 5.991 11.463 1.00 0.41 H new ATOM 309 N THR A 20 3.698 5.998 9.542 1.00 44.10 N ATOM 310 CA THR A 20 2.655 6.729 8.834 1.00 62.13 C ATOM 311 C THR A 20 3.251 7.819 7.951 1.00 60.40 C ATOM 312 O THR A 20 4.356 8.300 8.202 1.00 11.03 O ATOM 313 CB THR A 20 1.653 7.368 9.814 1.00 52.31 C ATOM 314 OG1 THR A 20 2.354 8.130 10.803 1.00 32.24 O ATOM 315 CG2 THR A 20 0.806 6.302 10.494 1.00 10.10 C ATOM 0 H THR A 20 4.072 6.483 10.358 1.00 44.10 H new ATOM 0 HA THR A 20 2.130 6.006 8.210 1.00 62.13 H new ATOM 0 HB THR A 20 0.994 8.026 9.248 1.00 52.31 H new ATOM 0 HG1 THR A 20 1.802 8.890 11.083 1.00 32.24 H new ATOM 0 HG21 THR A 20 0.106 6.777 11.181 1.00 10.10 H new ATOM 0 HG22 THR A 20 0.252 5.743 9.741 1.00 10.10 H new ATOM 0 HG23 THR A 20 1.453 5.622 11.048 1.00 10.10 H new ATOM 323 N PHE A 21 2.512 8.205 6.917 1.00 31.51 N ATOM 324 CA PHE A 21 2.967 9.240 5.995 1.00 72.12 C ATOM 325 C PHE A 21 1.892 10.305 5.799 1.00 71.43 C ATOM 326 O PHE A 21 0.702 10.000 5.760 1.00 14.52 O ATOM 327 CB PHE A 21 3.342 8.622 4.647 1.00 61.44 C ATOM 328 CG PHE A 21 3.708 9.639 3.603 1.00 3.04 C ATOM 329 CD1 PHE A 21 4.971 10.206 3.581 1.00 14.22 C ATOM 330 CD2 PHE A 21 2.786 10.026 2.643 1.00 71.43 C ATOM 331 CE1 PHE A 21 5.310 11.142 2.621 1.00 45.31 C ATOM 332 CE2 PHE A 21 3.120 10.961 1.681 1.00 22.31 C ATOM 333 CZ PHE A 21 4.383 11.520 1.670 1.00 41.11 C ATOM 0 H PHE A 21 1.595 7.817 6.696 1.00 31.51 H new ATOM 0 HA PHE A 21 3.848 9.715 6.427 1.00 72.12 H new ATOM 0 HB2 PHE A 21 4.181 7.941 4.789 1.00 61.44 H new ATOM 0 HB3 PHE A 21 2.505 8.025 4.284 1.00 61.44 H new ATOM 0 HD1 PHE A 21 5.700 9.914 4.322 1.00 14.22 H new ATOM 0 HD2 PHE A 21 1.797 9.593 2.647 1.00 71.43 H new ATOM 0 HE1 PHE A 21 6.299 11.577 2.615 1.00 45.31 H new ATOM 0 HE2 PHE A 21 2.393 11.254 0.938 1.00 22.31 H new ATOM 0 HZ PHE A 21 4.645 12.251 0.919 1.00 41.11 H new ATOM 342 N ASN A 22 2.324 11.556 5.674 1.00 4.43 N ATOM 343 CA ASN A 22 1.399 12.668 5.483 1.00 60.23 C ATOM 344 C ASN A 22 1.793 13.499 4.265 1.00 10.34 C ATOM 345 O ASN A 22 2.941 13.468 3.824 1.00 4.12 O ATOM 346 CB ASN A 22 1.368 13.553 6.730 1.00 5.32 C ATOM 347 CG ASN A 22 2.758 13.898 7.229 1.00 13.32 C ATOM 348 OD1 ASN A 22 3.726 13.873 6.470 1.00 42.23 O ATOM 349 ND2 ASN A 22 2.861 14.224 8.513 1.00 22.45 N ATOM 0 H ASN A 22 3.308 11.825 5.701 1.00 4.43 H new ATOM 0 HA ASN A 22 0.404 12.256 5.314 1.00 60.23 H new ATOM 0 HB2 ASN A 22 0.827 14.472 6.506 1.00 5.32 H new ATOM 0 HB3 ASN A 22 0.817 13.043 7.520 1.00 5.32 H new ATOM 0 HD21 ASN A 22 3.770 14.467 8.906 1.00 22.45 H new ATOM 0 HD22 ASN A 22 2.031 14.231 9.105 1.00 22.45 H new ATOM 355 N GLY A 23 0.831 14.243 3.727 1.00 12.30 N ATOM 356 CA GLY A 23 1.097 15.073 2.567 1.00 25.03 C ATOM 357 C GLY A 23 0.043 14.914 1.488 1.00 32.41 C ATOM 358 O GLY A 23 -0.554 15.896 1.045 1.00 61.01 O ATOM 0 H GLY A 23 -0.127 14.286 4.074 1.00 12.30 H new ATOM 0 HA2 GLY A 23 1.144 16.118 2.874 1.00 25.03 H new ATOM 0 HA3 GLY A 23 2.074 14.817 2.157 1.00 25.03 H new ATOM 362 N ILE A 24 -0.183 13.676 1.062 1.00 34.04 N ATOM 363 CA ILE A 24 -1.171 13.394 0.028 1.00 20.54 C ATOM 364 C ILE A 24 -2.335 12.583 0.586 1.00 60.12 C ATOM 365 O ILE A 24 -2.161 11.773 1.497 1.00 64.40 O ATOM 366 CB ILE A 24 -0.546 12.627 -1.153 1.00 74.14 C ATOM 367 CG1 ILE A 24 -1.544 12.522 -2.308 1.00 51.50 C ATOM 368 CG2 ILE A 24 -0.095 11.245 -0.708 1.00 43.24 C ATOM 369 CD1 ILE A 24 -0.935 12.808 -3.662 1.00 52.43 C ATOM 0 H ILE A 24 0.304 12.853 1.416 1.00 34.04 H new ATOM 0 HA ILE A 24 -1.539 14.356 -0.327 1.00 20.54 H new ATOM 0 HB ILE A 24 0.328 13.178 -1.502 1.00 74.14 H new ATOM 0 HG12 ILE A 24 -1.973 11.520 -2.316 1.00 51.50 H new ATOM 0 HG13 ILE A 24 -2.364 13.219 -2.133 1.00 51.50 H new ATOM 0 HG21 ILE A 24 0.344 10.716 -1.554 1.00 43.24 H new ATOM 0 HG22 ILE A 24 0.647 11.342 0.084 1.00 43.24 H new ATOM 0 HG23 ILE A 24 -0.953 10.685 -0.335 1.00 43.24 H new ATOM 0 HD11 ILE A 24 -1.701 12.715 -4.432 1.00 52.43 H new ATOM 0 HD12 ILE A 24 -0.531 13.820 -3.673 1.00 52.43 H new ATOM 0 HD13 ILE A 24 -0.134 12.095 -3.859 1.00 52.43 H new ATOM 380 N SER A 25 -3.523 12.805 0.033 1.00 21.32 N ATOM 381 CA SER A 25 -4.718 12.097 0.477 1.00 24.43 C ATOM 382 C SER A 25 -5.256 11.193 -0.629 1.00 62.14 C ATOM 383 O SER A 25 -6.428 11.270 -0.996 1.00 12.03 O ATOM 384 CB SER A 25 -5.797 13.092 0.906 1.00 11.33 C ATOM 385 OG SER A 25 -5.648 13.449 2.270 1.00 22.33 O ATOM 0 H SER A 25 -3.684 13.470 -0.724 1.00 21.32 H new ATOM 0 HA SER A 25 -4.446 11.477 1.331 1.00 24.43 H new ATOM 0 HB2 SER A 25 -5.740 13.986 0.285 1.00 11.33 H new ATOM 0 HB3 SER A 25 -6.783 12.655 0.747 1.00 11.33 H new ATOM 0 HG SER A 25 -6.182 12.844 2.827 1.00 22.33 H new ATOM 390 N LYS A 26 -4.389 10.334 -1.156 1.00 40.34 N ATOM 391 CA LYS A 26 -4.774 9.413 -2.218 1.00 60.31 C ATOM 392 C LYS A 26 -3.962 8.123 -2.141 1.00 31.45 C ATOM 393 O LYS A 26 -2.923 8.071 -1.482 1.00 31.14 O ATOM 394 CB LYS A 26 -4.578 10.069 -3.586 1.00 32.10 C ATOM 395 CG LYS A 26 -5.545 11.209 -3.857 1.00 34.43 C ATOM 396 CD LYS A 26 -5.397 11.742 -5.273 1.00 62.54 C ATOM 397 CE LYS A 26 -4.080 12.482 -5.455 1.00 44.12 C ATOM 398 NZ LYS A 26 -4.108 13.379 -6.642 1.00 21.55 N ATOM 0 H LYS A 26 -3.415 10.257 -0.864 1.00 40.34 H new ATOM 0 HA LYS A 26 -5.828 9.167 -2.087 1.00 60.31 H new ATOM 0 HB2 LYS A 26 -3.557 10.445 -3.657 1.00 32.10 H new ATOM 0 HB3 LYS A 26 -4.694 9.313 -4.362 1.00 32.10 H new ATOM 0 HG2 LYS A 26 -6.567 10.864 -3.702 1.00 34.43 H new ATOM 0 HG3 LYS A 26 -5.368 12.014 -3.144 1.00 34.43 H new ATOM 0 HD2 LYS A 26 -5.452 10.916 -5.982 1.00 62.54 H new ATOM 0 HD3 LYS A 26 -6.226 12.412 -5.499 1.00 62.54 H new ATOM 0 HE2 LYS A 26 -3.866 13.069 -4.561 1.00 44.12 H new ATOM 0 HE3 LYS A 26 -3.270 11.761 -5.564 1.00 44.12 H new ATOM 0 HZ1 LYS A 26 -3.193 13.865 -6.732 1.00 21.55 H new ATOM 0 HZ2 LYS A 26 -4.287 12.816 -7.498 1.00 21.55 H new ATOM 0 HZ3 LYS A 26 -4.864 14.084 -6.527 1.00 21.55 H new ATOM 408 N ILE A 27 -4.442 7.087 -2.819 1.00 3.41 N ATOM 409 CA ILE A 27 -3.759 5.799 -2.829 1.00 4.14 C ATOM 410 C ILE A 27 -2.629 5.784 -3.852 1.00 63.02 C ATOM 411 O ILE A 27 -1.659 5.038 -3.710 1.00 72.42 O ATOM 412 CB ILE A 27 -4.733 4.647 -3.140 1.00 1.42 C ATOM 413 CG1 ILE A 27 -5.750 4.489 -2.007 1.00 75.05 C ATOM 414 CG2 ILE A 27 -3.968 3.350 -3.357 1.00 61.11 C ATOM 415 CD1 ILE A 27 -5.144 3.969 -0.721 1.00 54.14 C ATOM 0 H ILE A 27 -5.301 7.114 -3.369 1.00 3.41 H new ATOM 0 HA ILE A 27 -3.345 5.654 -1.831 1.00 4.14 H new ATOM 0 HB ILE A 27 -5.273 4.885 -4.057 1.00 1.42 H new ATOM 0 HG12 ILE A 27 -6.220 5.453 -1.814 1.00 75.05 H new ATOM 0 HG13 ILE A 27 -6.538 3.809 -2.329 1.00 75.05 H new ATOM 0 HG21 ILE A 27 -4.670 2.546 -3.576 1.00 61.11 H new ATOM 0 HG22 ILE A 27 -3.280 3.469 -4.194 1.00 61.11 H new ATOM 0 HG23 ILE A 27 -3.405 3.105 -2.457 1.00 61.11 H new ATOM 0 HD11 ILE A 27 -5.921 3.882 0.038 1.00 54.14 H new ATOM 0 HD12 ILE A 27 -4.698 2.990 -0.898 1.00 54.14 H new ATOM 0 HD13 ILE A 27 -4.375 4.660 -0.375 1.00 54.14 H new ATOM 426 N SER A 28 -2.760 6.613 -4.882 1.00 31.11 N ATOM 427 CA SER A 28 -1.750 6.694 -5.931 1.00 22.30 C ATOM 428 C SER A 28 -0.377 7.003 -5.341 1.00 34.15 C ATOM 429 O SER A 28 0.591 6.284 -5.584 1.00 3.44 O ATOM 430 CB SER A 28 -2.132 7.765 -6.954 1.00 73.40 C ATOM 431 OG SER A 28 -0.979 8.388 -7.495 1.00 31.25 O ATOM 0 H SER A 28 -3.555 7.238 -5.013 1.00 31.11 H new ATOM 0 HA SER A 28 -1.701 5.726 -6.430 1.00 22.30 H new ATOM 0 HB2 SER A 28 -2.716 7.314 -7.756 1.00 73.40 H new ATOM 0 HB3 SER A 28 -2.766 8.515 -6.481 1.00 73.40 H new ATOM 0 HG SER A 28 -1.250 9.067 -8.147 1.00 31.25 H new ATOM 436 N GLU A 29 -0.303 8.081 -4.566 1.00 61.11 N ATOM 437 CA GLU A 29 0.950 8.487 -3.942 1.00 34.41 C ATOM 438 C GLU A 29 1.297 7.574 -2.770 1.00 5.33 C ATOM 439 O GLU A 29 2.454 7.195 -2.584 1.00 43.22 O ATOM 440 CB GLU A 29 0.861 9.938 -3.463 1.00 45.35 C ATOM 441 CG GLU A 29 1.543 10.929 -4.391 1.00 44.55 C ATOM 442 CD GLU A 29 2.988 10.565 -4.672 1.00 24.12 C ATOM 443 OE1 GLU A 29 3.742 10.337 -3.703 1.00 2.04 O ATOM 444 OE2 GLU A 29 3.364 10.508 -5.861 1.00 65.22 O ATOM 0 H GLU A 29 -1.095 8.688 -4.356 1.00 61.11 H new ATOM 0 HA GLU A 29 1.740 8.406 -4.689 1.00 34.41 H new ATOM 0 HB2 GLU A 29 -0.188 10.214 -3.359 1.00 45.35 H new ATOM 0 HB3 GLU A 29 1.310 10.013 -2.472 1.00 45.35 H new ATOM 0 HG2 GLU A 29 0.995 10.977 -5.332 1.00 44.55 H new ATOM 0 HG3 GLU A 29 1.502 11.924 -3.947 1.00 44.55 H new ATOM 449 N LEU A 30 0.285 7.223 -1.983 1.00 65.01 N ATOM 450 CA LEU A 30 0.481 6.353 -0.828 1.00 1.13 C ATOM 451 C LEU A 30 1.171 5.055 -1.235 1.00 4.14 C ATOM 452 O LEU A 30 2.170 4.656 -0.637 1.00 52.43 O ATOM 453 CB LEU A 30 -0.862 6.044 -0.164 1.00 73.23 C ATOM 454 CG LEU A 30 -0.899 4.805 0.731 1.00 35.13 C ATOM 455 CD1 LEU A 30 0.262 4.821 1.714 1.00 21.34 C ATOM 456 CD2 LEU A 30 -2.226 4.722 1.472 1.00 4.25 C ATOM 0 H LEU A 30 -0.678 7.527 -2.123 1.00 65.01 H new ATOM 0 HA LEU A 30 1.120 6.874 -0.115 1.00 1.13 H new ATOM 0 HB2 LEU A 30 -1.157 6.907 0.432 1.00 73.23 H new ATOM 0 HB3 LEU A 30 -1.612 5.925 -0.946 1.00 73.23 H new ATOM 0 HG LEU A 30 -0.802 3.922 0.100 1.00 35.13 H new ATOM 0 HD11 LEU A 30 0.219 3.931 2.342 1.00 21.34 H new ATOM 0 HD12 LEU A 30 1.204 4.832 1.165 1.00 21.34 H new ATOM 0 HD13 LEU A 30 0.197 5.711 2.340 1.00 21.34 H new ATOM 0 HD21 LEU A 30 -2.235 3.834 2.104 1.00 4.25 H new ATOM 0 HD22 LEU A 30 -2.353 5.610 2.091 1.00 4.25 H new ATOM 0 HD23 LEU A 30 -3.042 4.663 0.752 1.00 4.25 H new ATOM 467 N LEU A 31 0.631 4.399 -2.257 1.00 14.22 N ATOM 468 CA LEU A 31 1.195 3.146 -2.745 1.00 24.44 C ATOM 469 C LEU A 31 2.514 3.390 -3.472 1.00 44.22 C ATOM 470 O LEU A 31 3.518 2.737 -3.188 1.00 55.14 O ATOM 471 CB LEU A 31 0.206 2.450 -3.683 1.00 3.30 C ATOM 472 CG LEU A 31 -0.925 1.674 -3.007 1.00 5.21 C ATOM 473 CD1 LEU A 31 -1.849 1.062 -4.048 1.00 33.25 C ATOM 474 CD2 LEU A 31 -0.361 0.596 -2.092 1.00 24.34 C ATOM 0 H LEU A 31 -0.196 4.714 -2.763 1.00 14.22 H new ATOM 0 HA LEU A 31 1.387 2.503 -1.886 1.00 24.44 H new ATOM 0 HB2 LEU A 31 -0.236 3.202 -4.336 1.00 3.30 H new ATOM 0 HB3 LEU A 31 0.762 1.762 -4.320 1.00 3.30 H new ATOM 0 HG LEU A 31 -1.505 2.370 -2.401 1.00 5.21 H new ATOM 0 HD11 LEU A 31 -2.648 0.514 -3.548 1.00 33.25 H new ATOM 0 HD12 LEU A 31 -2.281 1.853 -4.661 1.00 33.25 H new ATOM 0 HD13 LEU A 31 -1.282 0.380 -4.682 1.00 33.25 H new ATOM 0 HD21 LEU A 31 -1.181 0.054 -1.620 1.00 24.34 H new ATOM 0 HD22 LEU A 31 0.243 -0.098 -2.676 1.00 24.34 H new ATOM 0 HD23 LEU A 31 0.259 1.058 -1.324 1.00 24.34 H new ATOM 485 N GLU A 32 2.504 4.334 -4.407 1.00 42.42 N ATOM 486 CA GLU A 32 3.701 4.664 -5.172 1.00 43.21 C ATOM 487 C GLU A 32 4.872 4.974 -4.243 1.00 52.41 C ATOM 488 O GLU A 32 6.030 4.738 -4.587 1.00 42.20 O ATOM 489 CB GLU A 32 3.434 5.859 -6.090 1.00 1.43 C ATOM 490 CG GLU A 32 4.580 6.165 -7.040 1.00 40.31 C ATOM 491 CD GLU A 32 4.190 7.149 -8.125 1.00 65.33 C ATOM 492 OE1 GLU A 32 4.000 8.341 -7.807 1.00 41.02 O ATOM 493 OE2 GLU A 32 4.075 6.725 -9.295 1.00 43.20 O ATOM 0 H GLU A 32 1.681 4.884 -4.653 1.00 42.42 H new ATOM 0 HA GLU A 32 3.962 3.798 -5.781 1.00 43.21 H new ATOM 0 HB2 GLU A 32 2.533 5.665 -6.672 1.00 1.43 H new ATOM 0 HB3 GLU A 32 3.235 6.739 -5.478 1.00 1.43 H new ATOM 0 HG2 GLU A 32 5.419 6.568 -6.473 1.00 40.31 H new ATOM 0 HG3 GLU A 32 4.923 5.238 -7.501 1.00 40.31 H new ATOM 498 N ARG A 33 4.561 5.505 -3.065 1.00 11.05 N ATOM 499 CA ARG A 33 5.586 5.850 -2.086 1.00 23.55 C ATOM 500 C ARG A 33 6.159 4.595 -1.435 1.00 21.51 C ATOM 501 O ARG A 33 7.373 4.463 -1.279 1.00 1.20 O ATOM 502 CB ARG A 33 5.007 6.775 -1.016 1.00 51.41 C ATOM 503 CG ARG A 33 6.013 7.174 0.053 1.00 22.53 C ATOM 504 CD ARG A 33 6.972 8.240 -0.456 1.00 10.51 C ATOM 505 NE ARG A 33 7.758 8.828 0.624 1.00 50.13 N ATOM 506 CZ ARG A 33 8.797 9.631 0.423 1.00 53.11 C ATOM 507 NH1 ARG A 33 9.172 9.941 -0.810 1.00 63.04 N ATOM 508 NH2 ARG A 33 9.463 10.128 1.458 1.00 60.03 N ATOM 0 H ARG A 33 3.607 5.706 -2.765 1.00 11.05 H new ATOM 0 HA ARG A 33 6.392 6.368 -2.606 1.00 23.55 H new ATOM 0 HB2 ARG A 33 4.622 7.675 -1.495 1.00 51.41 H new ATOM 0 HB3 ARG A 33 4.160 6.281 -0.540 1.00 51.41 H new ATOM 0 HG2 ARG A 33 5.485 7.547 0.930 1.00 22.53 H new ATOM 0 HG3 ARG A 33 6.577 6.297 0.369 1.00 22.53 H new ATOM 0 HD2 ARG A 33 7.642 7.802 -1.195 1.00 10.51 H new ATOM 0 HD3 ARG A 33 6.408 9.023 -0.962 1.00 10.51 H new ATOM 0 HE ARG A 33 7.495 8.611 1.585 1.00 50.13 H new ATOM 0 HH11 ARG A 33 8.662 9.563 -1.608 1.00 63.04 H new ATOM 0 HH12 ARG A 33 9.970 10.558 -0.960 1.00 63.04 H new ATOM 0 HH21 ARG A 33 9.177 9.893 2.409 1.00 60.03 H new ATOM 0 HH22 ARG A 33 10.261 10.744 1.303 1.00 60.03 H new ATOM 519 N LEU A 34 5.277 3.675 -1.057 1.00 75.13 N ATOM 520 CA LEU A 34 5.695 2.431 -0.421 1.00 24.52 C ATOM 521 C LEU A 34 6.369 1.505 -1.429 1.00 1.20 C ATOM 522 O LEU A 34 7.256 0.727 -1.076 1.00 33.53 O ATOM 523 CB LEU A 34 4.492 1.728 0.209 1.00 1.44 C ATOM 524 CG LEU A 34 4.237 2.029 1.686 1.00 15.31 C ATOM 525 CD1 LEU A 34 4.006 3.518 1.896 1.00 1.25 C ATOM 526 CD2 LEU A 34 3.049 1.226 2.197 1.00 53.34 C ATOM 0 H LEU A 34 4.269 3.768 -1.180 1.00 75.13 H new ATOM 0 HA LEU A 34 6.415 2.675 0.360 1.00 24.52 H new ATOM 0 HB2 LEU A 34 3.600 2.000 -0.356 1.00 1.44 H new ATOM 0 HB3 LEU A 34 4.625 0.652 0.096 1.00 1.44 H new ATOM 0 HG LEU A 34 5.120 1.736 2.254 1.00 15.31 H new ATOM 0 HD11 LEU A 34 3.826 3.713 2.953 1.00 1.25 H new ATOM 0 HD12 LEU A 34 4.886 4.072 1.569 1.00 1.25 H new ATOM 0 HD13 LEU A 34 3.140 3.837 1.316 1.00 1.25 H new ATOM 0 HD21 LEU A 34 2.882 1.453 3.250 1.00 53.34 H new ATOM 0 HD22 LEU A 34 2.159 1.488 1.624 1.00 53.34 H new ATOM 0 HD23 LEU A 34 3.253 0.161 2.083 1.00 53.34 H new ATOM 537 N LYS A 35 5.943 1.594 -2.684 1.00 12.20 N ATOM 538 CA LYS A 35 6.506 0.767 -3.745 1.00 10.14 C ATOM 539 C LYS A 35 8.026 0.888 -3.780 1.00 53.53 C ATOM 540 O LYS A 35 8.739 -0.116 -3.790 1.00 1.45 O ATOM 541 CB LYS A 35 5.921 1.171 -5.100 1.00 13.11 C ATOM 542 CG LYS A 35 6.698 0.626 -6.285 1.00 61.24 C ATOM 543 CD LYS A 35 5.810 0.458 -7.506 1.00 61.31 C ATOM 544 CE LYS A 35 5.239 1.791 -7.967 1.00 61.22 C ATOM 545 NZ LYS A 35 5.198 1.892 -9.452 1.00 0.15 N ATOM 0 H LYS A 35 5.209 2.231 -2.992 1.00 12.20 H new ATOM 0 HA LYS A 35 6.246 -0.271 -3.539 1.00 10.14 H new ATOM 0 HB2 LYS A 35 4.890 0.821 -5.160 1.00 13.11 H new ATOM 0 HB3 LYS A 35 5.893 2.259 -5.164 1.00 13.11 H new ATOM 0 HG2 LYS A 35 7.521 1.300 -6.523 1.00 61.24 H new ATOM 0 HG3 LYS A 35 7.140 -0.335 -6.021 1.00 61.24 H new ATOM 0 HD2 LYS A 35 6.384 0.007 -8.316 1.00 61.31 H new ATOM 0 HD3 LYS A 35 4.995 -0.227 -7.273 1.00 61.31 H new ATOM 0 HE2 LYS A 35 4.233 1.913 -7.567 1.00 61.22 H new ATOM 0 HE3 LYS A 35 5.843 2.604 -7.564 1.00 61.22 H new ATOM 0 HZ1 LYS A 35 4.803 2.814 -9.726 1.00 0.15 H new ATOM 0 HZ2 LYS A 35 6.161 1.801 -9.833 1.00 0.15 H new ATOM 0 HZ3 LYS A 35 4.601 1.132 -9.835 1.00 0.15 H new ATOM 555 N VAL A 36 8.517 2.124 -3.795 1.00 45.13 N ATOM 556 CA VAL A 36 9.953 2.375 -3.826 1.00 54.13 C ATOM 557 C VAL A 36 10.586 2.112 -2.464 1.00 53.20 C ATOM 558 O VAL A 36 11.716 1.632 -2.376 1.00 34.02 O ATOM 559 CB VAL A 36 10.260 3.823 -4.251 1.00 30.21 C ATOM 560 CG1 VAL A 36 9.618 4.811 -3.289 1.00 44.40 C ATOM 561 CG2 VAL A 36 11.762 4.047 -4.334 1.00 41.14 C ATOM 0 H VAL A 36 7.942 2.966 -3.786 1.00 45.13 H new ATOM 0 HA VAL A 36 10.379 1.691 -4.560 1.00 54.13 H new ATOM 0 HB VAL A 36 9.835 3.989 -5.241 1.00 30.21 H new ATOM 0 HG11 VAL A 36 9.846 5.828 -3.606 1.00 44.40 H new ATOM 0 HG12 VAL A 36 8.538 4.666 -3.286 1.00 44.40 H new ATOM 0 HG13 VAL A 36 10.009 4.648 -2.285 1.00 44.40 H new ATOM 0 HG21 VAL A 36 11.960 5.075 -4.636 1.00 41.14 H new ATOM 0 HG22 VAL A 36 12.212 3.862 -3.359 1.00 41.14 H new ATOM 0 HG23 VAL A 36 12.192 3.365 -5.067 1.00 41.14 H new ATOM 571 N GLU A 37 9.849 2.431 -1.404 1.00 65.24 N ATOM 572 CA GLU A 37 10.340 2.228 -0.046 1.00 12.23 C ATOM 573 C GLU A 37 10.657 0.757 0.205 1.00 50.51 C ATOM 574 O GLU A 37 11.736 0.417 0.691 1.00 13.50 O ATOM 575 CB GLU A 37 9.308 2.720 0.972 1.00 22.23 C ATOM 576 CG GLU A 37 9.790 2.651 2.411 1.00 65.13 C ATOM 577 CD GLU A 37 10.698 3.808 2.777 1.00 75.44 C ATOM 578 OE1 GLU A 37 10.192 4.943 2.904 1.00 21.34 O ATOM 579 OE2 GLU A 37 11.917 3.581 2.938 1.00 23.35 O ATOM 0 H GLU A 37 8.912 2.830 -1.459 1.00 65.24 H new ATOM 0 HA GLU A 37 11.258 2.804 0.070 1.00 12.23 H new ATOM 0 HB2 GLU A 37 9.041 3.750 0.737 1.00 22.23 H new ATOM 0 HB3 GLU A 37 8.400 2.125 0.873 1.00 22.23 H new ATOM 0 HG2 GLU A 37 8.929 2.644 3.079 1.00 65.13 H new ATOM 0 HG3 GLU A 37 10.322 1.713 2.568 1.00 65.13 H new ATOM 584 N TYR A 38 9.709 -0.112 -0.128 1.00 32.43 N ATOM 585 CA TYR A 38 9.885 -1.546 0.063 1.00 3.54 C ATOM 586 C TYR A 38 10.318 -2.220 -1.235 1.00 63.50 C ATOM 587 O TYR A 38 10.360 -3.446 -1.328 1.00 10.43 O ATOM 588 CB TYR A 38 8.587 -2.177 0.569 1.00 0.43 C ATOM 589 CG TYR A 38 8.109 -1.607 1.886 1.00 33.44 C ATOM 590 CD1 TYR A 38 8.938 -1.592 3.001 1.00 24.42 C ATOM 591 CD2 TYR A 38 6.828 -1.082 2.014 1.00 73.43 C ATOM 592 CE1 TYR A 38 8.505 -1.073 4.205 1.00 3.22 C ATOM 593 CE2 TYR A 38 6.389 -0.559 3.214 1.00 14.52 C ATOM 594 CZ TYR A 38 7.229 -0.557 4.307 1.00 72.12 C ATOM 595 OH TYR A 38 6.795 -0.037 5.505 1.00 51.02 O ATOM 0 H TYR A 38 8.810 0.152 -0.532 1.00 32.43 H new ATOM 0 HA TYR A 38 10.668 -1.694 0.807 1.00 3.54 H new ATOM 0 HB2 TYR A 38 7.809 -2.038 -0.181 1.00 0.43 H new ATOM 0 HB3 TYR A 38 8.734 -3.251 0.680 1.00 0.43 H new ATOM 0 HD1 TYR A 38 9.938 -1.993 2.925 1.00 24.42 H new ATOM 0 HD2 TYR A 38 6.166 -1.083 1.161 1.00 73.43 H new ATOM 0 HE1 TYR A 38 9.161 -1.071 5.063 1.00 3.22 H new ATOM 0 HE2 TYR A 38 5.392 -0.153 3.296 1.00 14.52 H new ATOM 0 HH TYR A 38 6.210 -0.685 5.950 1.00 51.02 H new ATOM 604 N GLY A 39 10.644 -1.407 -2.236 1.00 23.04 N ATOM 605 CA GLY A 39 11.071 -1.942 -3.516 1.00 32.05 C ATOM 606 C GLY A 39 9.928 -2.559 -4.297 1.00 64.02 C ATOM 607 O GLY A 39 8.827 -2.723 -3.773 1.00 5.42 O ATOM 0 H GLY A 39 10.620 -0.389 -2.183 1.00 23.04 H new ATOM 0 HA2 GLY A 39 11.522 -1.145 -4.107 1.00 32.05 H new ATOM 0 HA3 GLY A 39 11.843 -2.694 -3.353 1.00 32.05 H new ATOM 611 N SER A 40 10.189 -2.901 -5.555 1.00 22.14 N ATOM 612 CA SER A 40 9.172 -3.499 -6.411 1.00 3.03 C ATOM 613 C SER A 40 8.690 -4.827 -5.836 1.00 4.53 C ATOM 614 O SER A 40 7.531 -5.205 -6.007 1.00 31.44 O ATOM 615 CB SER A 40 9.724 -3.714 -7.822 1.00 74.35 C ATOM 616 OG SER A 40 10.413 -4.949 -7.918 1.00 3.21 O ATOM 0 H SER A 40 11.096 -2.774 -6.004 1.00 22.14 H new ATOM 0 HA SER A 40 8.326 -2.814 -6.459 1.00 3.03 H new ATOM 0 HB2 SER A 40 8.907 -3.693 -8.543 1.00 74.35 H new ATOM 0 HB3 SER A 40 10.398 -2.897 -8.081 1.00 74.35 H new ATOM 0 HG SER A 40 10.755 -5.063 -8.829 1.00 3.21 H new ATOM 621 N GLU A 41 9.587 -5.530 -5.151 1.00 22.04 N ATOM 622 CA GLU A 41 9.253 -6.815 -4.550 1.00 24.15 C ATOM 623 C GLU A 41 7.989 -6.707 -3.701 1.00 4.42 C ATOM 624 O GLU A 41 7.230 -7.669 -3.572 1.00 73.34 O ATOM 625 CB GLU A 41 10.415 -7.321 -3.693 1.00 33.33 C ATOM 626 CG GLU A 41 11.751 -7.318 -4.417 1.00 54.21 C ATOM 627 CD GLU A 41 11.662 -7.912 -5.809 1.00 12.52 C ATOM 628 OE1 GLU A 41 11.353 -9.116 -5.923 1.00 40.41 O ATOM 629 OE2 GLU A 41 11.901 -7.171 -6.786 1.00 54.20 O ATOM 0 H GLU A 41 10.550 -5.231 -4.999 1.00 22.04 H new ATOM 0 HA GLU A 41 9.069 -7.526 -5.355 1.00 24.15 H new ATOM 0 HB2 GLU A 41 10.494 -6.701 -2.800 1.00 33.33 H new ATOM 0 HB3 GLU A 41 10.195 -8.335 -3.359 1.00 33.33 H new ATOM 0 HG2 GLU A 41 12.120 -6.295 -4.486 1.00 54.21 H new ATOM 0 HG3 GLU A 41 12.478 -7.881 -3.832 1.00 54.21 H new ATOM 634 N PHE A 42 7.770 -5.531 -3.124 1.00 53.23 N ATOM 635 CA PHE A 42 6.601 -5.296 -2.285 1.00 43.01 C ATOM 636 C PHE A 42 5.345 -5.131 -3.137 1.00 55.01 C ATOM 637 O PHE A 42 4.343 -5.814 -2.926 1.00 25.23 O ATOM 638 CB PHE A 42 6.810 -4.053 -1.418 1.00 2.45 C ATOM 639 CG PHE A 42 5.704 -3.820 -0.428 1.00 42.13 C ATOM 640 CD1 PHE A 42 4.499 -3.268 -0.833 1.00 74.21 C ATOM 641 CD2 PHE A 42 5.869 -4.154 0.907 1.00 33.21 C ATOM 642 CE1 PHE A 42 3.480 -3.051 0.075 1.00 42.45 C ATOM 643 CE2 PHE A 42 4.854 -3.940 1.819 1.00 4.33 C ATOM 644 CZ PHE A 42 3.657 -3.388 1.403 1.00 4.11 C ATOM 0 H PHE A 42 8.387 -4.725 -3.222 1.00 53.23 H new ATOM 0 HA PHE A 42 6.469 -6.163 -1.638 1.00 43.01 H new ATOM 0 HB2 PHE A 42 7.754 -4.149 -0.881 1.00 2.45 H new ATOM 0 HB3 PHE A 42 6.898 -3.180 -2.064 1.00 2.45 H new ATOM 0 HD1 PHE A 42 4.355 -3.004 -1.870 1.00 74.21 H new ATOM 0 HD2 PHE A 42 6.802 -4.586 1.238 1.00 33.21 H new ATOM 0 HE1 PHE A 42 2.546 -2.618 -0.253 1.00 42.45 H new ATOM 0 HE2 PHE A 42 4.996 -4.204 2.857 1.00 4.33 H new ATOM 0 HZ PHE A 42 2.862 -3.221 2.115 1.00 4.11 H new ATOM 653 N THR A 43 5.407 -4.216 -4.100 1.00 44.23 N ATOM 654 CA THR A 43 4.277 -3.958 -4.982 1.00 31.55 C ATOM 655 C THR A 43 3.903 -5.205 -5.776 1.00 73.32 C ATOM 656 O THR A 43 2.727 -5.455 -6.042 1.00 63.24 O ATOM 657 CB THR A 43 4.581 -2.811 -5.965 1.00 60.23 C ATOM 658 OG1 THR A 43 5.704 -2.053 -5.500 1.00 45.41 O ATOM 659 CG2 THR A 43 3.375 -1.897 -6.119 1.00 63.43 C ATOM 0 H THR A 43 6.229 -3.642 -4.288 1.00 44.23 H new ATOM 0 HA THR A 43 3.440 -3.670 -4.346 1.00 31.55 H new ATOM 0 HB THR A 43 4.814 -3.246 -6.937 1.00 60.23 H new ATOM 0 HG1 THR A 43 5.583 -1.837 -4.552 1.00 45.41 H new ATOM 0 HG21 THR A 43 3.613 -1.095 -6.818 1.00 63.43 H new ATOM 0 HG22 THR A 43 2.530 -2.471 -6.500 1.00 63.43 H new ATOM 0 HG23 THR A 43 3.116 -1.470 -5.150 1.00 63.43 H new ATOM 667 N LYS A 44 4.910 -5.985 -6.153 1.00 63.13 N ATOM 668 CA LYS A 44 4.689 -7.209 -6.914 1.00 32.34 C ATOM 669 C LYS A 44 4.123 -8.310 -6.023 1.00 32.42 C ATOM 670 O LYS A 44 3.225 -9.046 -6.427 1.00 24.41 O ATOM 671 CB LYS A 44 5.996 -7.678 -7.557 1.00 14.32 C ATOM 672 CG LYS A 44 6.513 -6.744 -8.638 1.00 0.44 C ATOM 673 CD LYS A 44 7.912 -7.130 -9.086 1.00 40.01 C ATOM 674 CE LYS A 44 7.891 -8.360 -9.981 1.00 40.44 C ATOM 675 NZ LYS A 44 9.256 -8.919 -10.186 1.00 71.02 N ATOM 0 H LYS A 44 5.889 -5.791 -5.943 1.00 63.13 H new ATOM 0 HA LYS A 44 3.963 -6.993 -7.698 1.00 32.34 H new ATOM 0 HB2 LYS A 44 6.756 -7.779 -6.782 1.00 14.32 H new ATOM 0 HB3 LYS A 44 5.845 -8.668 -7.986 1.00 14.32 H new ATOM 0 HG2 LYS A 44 5.837 -6.766 -9.493 1.00 0.44 H new ATOM 0 HG3 LYS A 44 6.519 -5.720 -8.263 1.00 0.44 H new ATOM 0 HD2 LYS A 44 8.367 -6.297 -9.622 1.00 40.01 H new ATOM 0 HD3 LYS A 44 8.534 -7.325 -8.212 1.00 40.01 H new ATOM 0 HE2 LYS A 44 7.249 -9.121 -9.537 1.00 40.44 H new ATOM 0 HE3 LYS A 44 7.456 -8.100 -10.946 1.00 40.44 H new ATOM 0 HZ1 LYS A 44 9.200 -9.756 -10.801 1.00 71.02 H new ATOM 0 HZ2 LYS A 44 9.862 -8.201 -10.633 1.00 71.02 H new ATOM 0 HZ3 LYS A 44 9.661 -9.191 -9.268 1.00 71.02 H new ATOM 685 N GLN A 45 4.655 -8.413 -4.810 1.00 52.14 N ATOM 686 CA GLN A 45 4.202 -9.424 -3.862 1.00 5.21 C ATOM 687 C GLN A 45 2.733 -9.218 -3.507 1.00 45.53 C ATOM 688 O GLN A 45 1.969 -10.178 -3.404 1.00 55.20 O ATOM 689 CB GLN A 45 5.056 -9.384 -2.594 1.00 14.32 C ATOM 690 CG GLN A 45 4.643 -10.407 -1.548 1.00 2.55 C ATOM 691 CD GLN A 45 5.111 -11.809 -1.887 1.00 3.34 C ATOM 692 OE1 GLN A 45 5.613 -12.061 -2.982 1.00 11.32 O ATOM 693 NE2 GLN A 45 4.948 -12.731 -0.945 1.00 41.33 N ATOM 0 H GLN A 45 5.399 -7.810 -4.460 1.00 52.14 H new ATOM 0 HA GLN A 45 4.309 -10.401 -4.333 1.00 5.21 H new ATOM 0 HB2 GLN A 45 6.099 -9.553 -2.863 1.00 14.32 H new ATOM 0 HB3 GLN A 45 4.997 -8.387 -2.158 1.00 14.32 H new ATOM 0 HG2 GLN A 45 5.051 -10.116 -0.580 1.00 2.55 H new ATOM 0 HG3 GLN A 45 3.557 -10.404 -1.451 1.00 2.55 H new ATOM 0 HE21 GLN A 45 4.527 -12.478 -0.051 1.00 41.33 H new ATOM 0 HE22 GLN A 45 5.244 -13.692 -1.115 1.00 41.33 H new ATOM 700 N MET A 46 2.345 -7.961 -3.320 1.00 31.33 N ATOM 701 CA MET A 46 0.967 -7.629 -2.978 1.00 43.20 C ATOM 702 C MET A 46 0.186 -7.200 -4.216 1.00 64.25 C ATOM 703 O MET A 46 -0.970 -6.788 -4.122 1.00 44.51 O ATOM 704 CB MET A 46 0.934 -6.517 -1.929 1.00 1.41 C ATOM 705 CG MET A 46 1.487 -5.192 -2.429 1.00 2.24 C ATOM 706 SD MET A 46 0.191 -3.993 -2.794 1.00 14.42 S ATOM 707 CE MET A 46 -0.161 -3.364 -1.154 1.00 50.01 C ATOM 0 H MET A 46 2.966 -7.155 -3.400 1.00 31.33 H new ATOM 0 HA MET A 46 0.497 -8.522 -2.566 1.00 43.20 H new ATOM 0 HB2 MET A 46 -0.095 -6.371 -1.599 1.00 1.41 H new ATOM 0 HB3 MET A 46 1.506 -6.834 -1.057 1.00 1.41 H new ATOM 0 HG2 MET A 46 2.160 -4.777 -1.679 1.00 2.24 H new ATOM 0 HG3 MET A 46 2.080 -5.366 -3.327 1.00 2.24 H new ATOM 0 HE1 MET A 46 -1.196 -3.026 -1.108 1.00 50.01 H new ATOM 0 HE2 MET A 46 -0.004 -4.154 -0.420 1.00 50.01 H new ATOM 0 HE3 MET A 46 0.503 -2.528 -0.935 1.00 50.01 H new ATOM 715 N TYR A 47 0.826 -7.298 -5.376 1.00 73.41 N ATOM 716 CA TYR A 47 0.193 -6.917 -6.633 1.00 42.31 C ATOM 717 C TYR A 47 1.090 -7.257 -7.820 1.00 2.44 C ATOM 718 O TYR A 47 1.851 -6.416 -8.299 1.00 45.33 O ATOM 719 CB TYR A 47 -0.127 -5.421 -6.634 1.00 63.05 C ATOM 720 CG TYR A 47 -1.522 -5.101 -7.123 1.00 74.15 C ATOM 721 CD1 TYR A 47 -2.631 -5.747 -6.592 1.00 70.45 C ATOM 722 CD2 TYR A 47 -1.729 -4.150 -8.115 1.00 2.35 C ATOM 723 CE1 TYR A 47 -3.906 -5.458 -7.036 1.00 14.20 C ATOM 724 CE2 TYR A 47 -3.002 -3.854 -8.565 1.00 52.42 C ATOM 725 CZ TYR A 47 -4.086 -4.510 -8.022 1.00 2.13 C ATOM 726 OH TYR A 47 -5.356 -4.218 -8.467 1.00 71.12 O ATOM 0 H TYR A 47 1.783 -7.638 -5.472 1.00 73.41 H new ATOM 0 HA TYR A 47 -0.735 -7.481 -6.729 1.00 42.31 H new ATOM 0 HB2 TYR A 47 -0.007 -5.032 -5.623 1.00 63.05 H new ATOM 0 HB3 TYR A 47 0.597 -4.903 -7.263 1.00 63.05 H new ATOM 0 HD1 TYR A 47 -2.494 -6.488 -5.819 1.00 70.45 H new ATOM 0 HD2 TYR A 47 -0.881 -3.634 -8.541 1.00 2.35 H new ATOM 0 HE1 TYR A 47 -4.757 -5.971 -6.614 1.00 14.20 H new ATOM 0 HE2 TYR A 47 -3.147 -3.113 -9.337 1.00 52.42 H new ATOM 0 HH TYR A 47 -5.472 -4.566 -9.376 1.00 71.12 H new ATOM 735 N ASP A 48 0.991 -8.496 -8.290 1.00 41.22 N ATOM 736 CA ASP A 48 1.791 -8.949 -9.422 1.00 11.12 C ATOM 737 C ASP A 48 0.980 -8.902 -10.713 1.00 65.22 C ATOM 738 O ASP A 48 0.197 -9.808 -11.000 1.00 14.41 O ATOM 739 CB ASP A 48 2.302 -10.370 -9.177 1.00 41.10 C ATOM 740 CG ASP A 48 3.350 -10.790 -10.188 1.00 71.14 C ATOM 741 OD1 ASP A 48 4.414 -10.138 -10.244 1.00 62.11 O ATOM 742 OD2 ASP A 48 3.108 -11.771 -10.922 1.00 31.32 O ATOM 0 H ASP A 48 0.365 -9.204 -7.905 1.00 41.22 H new ATOM 0 HA ASP A 48 2.644 -8.278 -9.525 1.00 11.12 H new ATOM 0 HB2 ASP A 48 2.723 -10.434 -8.174 1.00 41.10 H new ATOM 0 HB3 ASP A 48 1.464 -11.066 -9.216 1.00 41.10 H new ATOM 746 N GLY A 49 1.172 -7.840 -11.489 1.00 72.42 N ATOM 747 CA GLY A 49 0.451 -7.695 -12.740 1.00 71.44 C ATOM 748 C GLY A 49 -0.862 -6.958 -12.570 1.00 2.33 C ATOM 749 O GLY A 49 -1.867 -7.317 -13.183 1.00 11.25 O ATOM 0 H GLY A 49 1.814 -7.077 -11.274 1.00 72.42 H new ATOM 0 HA2 GLY A 49 1.075 -7.159 -13.455 1.00 71.44 H new ATOM 0 HA3 GLY A 49 0.258 -8.682 -13.161 1.00 71.44 H new ATOM 753 N ASN A 50 -0.856 -5.926 -11.733 1.00 74.41 N ATOM 754 CA ASN A 50 -2.057 -5.137 -11.482 1.00 42.12 C ATOM 755 C ASN A 50 -3.129 -5.983 -10.802 1.00 13.41 C ATOM 756 O ASN A 50 -4.308 -5.629 -10.803 1.00 32.41 O ATOM 757 CB ASN A 50 -2.600 -4.564 -12.792 1.00 75.45 C ATOM 758 CG ASN A 50 -1.508 -3.961 -13.654 1.00 34.52 C ATOM 759 OD1 ASN A 50 -1.072 -4.563 -14.635 1.00 60.32 O ATOM 760 ND2 ASN A 50 -1.060 -2.764 -13.292 1.00 14.22 N ATOM 0 H ASN A 50 -0.033 -5.616 -11.217 1.00 74.41 H new ATOM 0 HA ASN A 50 -1.790 -4.315 -10.818 1.00 42.12 H new ATOM 0 HB2 ASN A 50 -3.105 -5.353 -13.349 1.00 75.45 H new ATOM 0 HB3 ASN A 50 -3.347 -3.802 -12.570 1.00 75.45 H new ATOM 0 HD21 ASN A 50 -0.326 -2.309 -13.835 1.00 14.22 H new ATOM 0 HD22 ASN A 50 -1.450 -2.300 -12.471 1.00 14.22 H new ATOM 766 N ASN A 51 -2.712 -7.103 -10.220 1.00 32.44 N ATOM 767 CA ASN A 51 -3.637 -7.999 -9.536 1.00 44.42 C ATOM 768 C ASN A 51 -2.916 -8.808 -8.462 1.00 22.10 C ATOM 769 O ASN A 51 -1.693 -8.957 -8.496 1.00 34.42 O ATOM 770 CB ASN A 51 -4.302 -8.943 -10.540 1.00 62.22 C ATOM 771 CG ASN A 51 -5.460 -9.711 -9.933 1.00 41.44 C ATOM 772 OD1 ASN A 51 -5.388 -10.927 -9.753 1.00 21.53 O ATOM 773 ND2 ASN A 51 -6.537 -9.002 -9.611 1.00 74.33 N ATOM 0 H ASN A 51 -1.740 -7.411 -10.209 1.00 32.44 H new ATOM 0 HA ASN A 51 -4.404 -7.391 -9.055 1.00 44.42 H new ATOM 0 HB2 ASN A 51 -4.659 -8.367 -11.394 1.00 62.22 H new ATOM 0 HB3 ASN A 51 -3.561 -9.647 -10.918 1.00 62.22 H new ATOM 0 HD21 ASN A 51 -7.347 -9.464 -9.197 1.00 74.33 H new ATOM 0 HD22 ASN A 51 -6.554 -7.996 -9.778 1.00 74.33 H new ATOM 779 N LEU A 52 -3.680 -9.330 -7.509 1.00 45.00 N ATOM 780 CA LEU A 52 -3.115 -10.125 -6.424 1.00 25.52 C ATOM 781 C LEU A 52 -2.377 -11.343 -6.969 1.00 63.33 C ATOM 782 O LEU A 52 -2.891 -12.064 -7.825 1.00 12.53 O ATOM 783 CB LEU A 52 -4.219 -10.572 -5.464 1.00 71.11 C ATOM 784 CG LEU A 52 -5.208 -9.491 -5.029 1.00 14.13 C ATOM 785 CD1 LEU A 52 -6.315 -10.090 -4.175 1.00 64.41 C ATOM 786 CD2 LEU A 52 -4.489 -8.384 -4.270 1.00 62.34 C ATOM 0 H LEU A 52 -4.693 -9.217 -7.465 1.00 45.00 H new ATOM 0 HA LEU A 52 -2.402 -9.502 -5.884 1.00 25.52 H new ATOM 0 HB2 LEU A 52 -4.779 -11.379 -5.936 1.00 71.11 H new ATOM 0 HB3 LEU A 52 -3.751 -10.988 -4.572 1.00 71.11 H new ATOM 0 HG LEU A 52 -5.659 -9.060 -5.923 1.00 14.13 H new ATOM 0 HD11 LEU A 52 -7.009 -9.305 -3.875 1.00 64.41 H new ATOM 0 HD12 LEU A 52 -6.849 -10.846 -4.750 1.00 64.41 H new ATOM 0 HD13 LEU A 52 -5.881 -10.549 -3.287 1.00 64.41 H new ATOM 0 HD21 LEU A 52 -5.209 -7.623 -3.968 1.00 62.34 H new ATOM 0 HD22 LEU A 52 -4.010 -8.802 -3.385 1.00 62.34 H new ATOM 0 HD23 LEU A 52 -3.733 -7.934 -4.913 1.00 62.34 H new ATOM 797 N PHE A 53 -1.166 -11.568 -6.468 1.00 72.00 N ATOM 798 CA PHE A 53 -0.357 -12.700 -6.904 1.00 70.24 C ATOM 799 C PHE A 53 -0.817 -13.989 -6.232 1.00 5.22 C ATOM 800 O PHE A 53 -1.321 -14.901 -6.890 1.00 51.54 O ATOM 801 CB PHE A 53 1.120 -12.449 -6.590 1.00 74.42 C ATOM 802 CG PHE A 53 2.037 -13.506 -7.136 1.00 33.11 C ATOM 803 CD1 PHE A 53 1.909 -13.945 -8.443 1.00 61.23 C ATOM 804 CD2 PHE A 53 3.027 -14.061 -6.340 1.00 33.14 C ATOM 805 CE1 PHE A 53 2.752 -14.917 -8.948 1.00 22.34 C ATOM 806 CE2 PHE A 53 3.873 -15.032 -6.840 1.00 2.53 C ATOM 807 CZ PHE A 53 3.734 -15.462 -8.145 1.00 42.33 C ATOM 0 H PHE A 53 -0.724 -10.981 -5.760 1.00 72.00 H new ATOM 0 HA PHE A 53 -0.481 -12.808 -7.982 1.00 70.24 H new ATOM 0 HB2 PHE A 53 1.411 -11.481 -6.998 1.00 74.42 H new ATOM 0 HB3 PHE A 53 1.249 -12.391 -5.509 1.00 74.42 H new ATOM 0 HD1 PHE A 53 1.142 -13.523 -9.075 1.00 61.23 H new ATOM 0 HD2 PHE A 53 3.138 -13.731 -5.318 1.00 33.14 H new ATOM 0 HE1 PHE A 53 2.643 -15.250 -9.970 1.00 22.34 H new ATOM 0 HE2 PHE A 53 4.642 -15.454 -6.211 1.00 2.53 H new ATOM 0 HZ PHE A 53 4.392 -16.223 -8.537 1.00 42.33 H new ATOM 816 N LYS A 54 -0.643 -14.060 -4.917 1.00 53.41 N ATOM 817 CA LYS A 54 -1.041 -15.236 -4.153 1.00 52.40 C ATOM 818 C LYS A 54 -2.494 -15.128 -3.704 1.00 12.34 C ATOM 819 O LYS A 54 -3.309 -16.005 -3.986 1.00 71.43 O ATOM 820 CB LYS A 54 -0.131 -15.411 -2.934 1.00 20.53 C ATOM 821 CG LYS A 54 -0.460 -16.638 -2.100 1.00 74.31 C ATOM 822 CD LYS A 54 -0.036 -17.917 -2.802 1.00 3.45 C ATOM 823 CE LYS A 54 -1.231 -18.646 -3.400 1.00 15.05 C ATOM 824 NZ LYS A 54 -1.086 -20.124 -3.301 1.00 50.01 N ATOM 0 H LYS A 54 -0.228 -13.315 -4.357 1.00 53.41 H new ATOM 0 HA LYS A 54 -0.943 -16.108 -4.800 1.00 52.40 H new ATOM 0 HB2 LYS A 54 0.904 -15.477 -3.270 1.00 20.53 H new ATOM 0 HB3 LYS A 54 -0.206 -14.524 -2.305 1.00 20.53 H new ATOM 0 HG2 LYS A 54 0.041 -16.568 -1.134 1.00 74.31 H new ATOM 0 HG3 LYS A 54 -1.531 -16.668 -1.902 1.00 74.31 H new ATOM 0 HD2 LYS A 54 0.679 -17.681 -3.590 1.00 3.45 H new ATOM 0 HD3 LYS A 54 0.473 -18.571 -2.094 1.00 3.45 H new ATOM 0 HE2 LYS A 54 -2.140 -18.335 -2.886 1.00 15.05 H new ATOM 0 HE3 LYS A 54 -1.343 -18.362 -4.446 1.00 15.05 H new ATOM 0 HZ1 LYS A 54 -2.018 -20.572 -3.411 1.00 50.01 H new ATOM 0 HZ2 LYS A 54 -0.449 -20.461 -4.051 1.00 50.01 H new ATOM 0 HZ3 LYS A 54 -0.690 -20.372 -2.372 1.00 50.01 H new ATOM 834 N ASN A 55 -2.814 -14.043 -3.004 1.00 61.54 N ATOM 835 CA ASN A 55 -4.169 -13.819 -2.517 1.00 0.32 C ATOM 836 C ASN A 55 -4.187 -12.747 -1.431 1.00 21.44 C ATOM 837 O ASN A 55 -4.939 -12.843 -0.461 1.00 30.05 O ATOM 838 CB ASN A 55 -4.759 -15.122 -1.973 1.00 24.23 C ATOM 839 CG ASN A 55 -5.817 -15.705 -2.891 1.00 62.32 C ATOM 840 OD1 ASN A 55 -6.548 -14.973 -3.558 1.00 11.13 O ATOM 841 ND2 ASN A 55 -5.901 -17.030 -2.929 1.00 71.40 N ATOM 0 H ASN A 55 -2.152 -13.306 -2.762 1.00 61.54 H new ATOM 0 HA ASN A 55 -4.777 -13.474 -3.353 1.00 0.32 H new ATOM 0 HB2 ASN A 55 -3.960 -15.850 -1.836 1.00 24.23 H new ATOM 0 HB3 ASN A 55 -5.195 -14.938 -0.991 1.00 24.23 H new ATOM 0 HD21 ASN A 55 -6.592 -17.480 -3.529 1.00 71.40 H new ATOM 0 HD22 ASN A 55 -5.274 -17.597 -2.359 1.00 71.40 H new ATOM 847 N VAL A 56 -3.354 -11.726 -1.602 1.00 53.11 N ATOM 848 CA VAL A 56 -3.275 -10.635 -0.639 1.00 50.45 C ATOM 849 C VAL A 56 -4.559 -9.814 -0.631 1.00 33.25 C ATOM 850 O VAL A 56 -5.101 -9.481 -1.685 1.00 31.22 O ATOM 851 CB VAL A 56 -2.085 -9.704 -0.940 1.00 23.44 C ATOM 852 CG1 VAL A 56 -1.816 -8.780 0.238 1.00 3.24 C ATOM 853 CG2 VAL A 56 -0.847 -10.517 -1.285 1.00 0.43 C ATOM 0 H VAL A 56 -2.724 -11.632 -2.399 1.00 53.11 H new ATOM 0 HA VAL A 56 -3.132 -11.089 0.341 1.00 50.45 H new ATOM 0 HB VAL A 56 -2.339 -9.087 -1.802 1.00 23.44 H new ATOM 0 HG11 VAL A 56 -0.972 -8.131 0.006 1.00 3.24 H new ATOM 0 HG12 VAL A 56 -2.699 -8.172 0.432 1.00 3.24 H new ATOM 0 HG13 VAL A 56 -1.584 -9.375 1.121 1.00 3.24 H new ATOM 0 HG21 VAL A 56 -0.016 -9.843 -1.495 1.00 0.43 H new ATOM 0 HG22 VAL A 56 -0.589 -11.161 -0.444 1.00 0.43 H new ATOM 0 HG23 VAL A 56 -1.048 -11.130 -2.164 1.00 0.43 H new ATOM 863 N ILE A 57 -5.042 -9.490 0.564 1.00 2.01 N ATOM 864 CA ILE A 57 -6.262 -8.706 0.708 1.00 1.11 C ATOM 865 C ILE A 57 -6.031 -7.486 1.592 1.00 73.13 C ATOM 866 O ILE A 57 -5.867 -7.607 2.807 1.00 22.23 O ATOM 867 CB ILE A 57 -7.405 -9.549 1.306 1.00 35.02 C ATOM 868 CG1 ILE A 57 -7.712 -10.745 0.402 1.00 14.54 C ATOM 869 CG2 ILE A 57 -8.648 -8.693 1.501 1.00 50.15 C ATOM 870 CD1 ILE A 57 -8.054 -12.006 1.165 1.00 32.41 C ATOM 0 H ILE A 57 -4.607 -9.759 1.446 1.00 2.01 H new ATOM 0 HA ILE A 57 -6.546 -8.379 -0.292 1.00 1.11 H new ATOM 0 HB ILE A 57 -7.089 -9.924 2.279 1.00 35.02 H new ATOM 0 HG12 ILE A 57 -8.544 -10.490 -0.254 1.00 14.54 H new ATOM 0 HG13 ILE A 57 -6.850 -10.939 -0.236 1.00 14.54 H new ATOM 0 HG21 ILE A 57 -9.447 -9.302 1.924 1.00 50.15 H new ATOM 0 HG22 ILE A 57 -8.421 -7.871 2.179 1.00 50.15 H new ATOM 0 HG23 ILE A 57 -8.968 -8.292 0.539 1.00 50.15 H new ATOM 0 HD11 ILE A 57 -8.260 -12.812 0.461 1.00 32.41 H new ATOM 0 HD12 ILE A 57 -7.214 -12.285 1.801 1.00 32.41 H new ATOM 0 HD13 ILE A 57 -8.935 -11.830 1.783 1.00 32.41 H new ATOM 881 N ILE A 58 -6.019 -6.308 0.975 1.00 64.02 N ATOM 882 CA ILE A 58 -5.810 -5.065 1.705 1.00 11.12 C ATOM 883 C ILE A 58 -6.959 -4.091 1.472 1.00 1.35 C ATOM 884 O ILE A 58 -7.331 -3.814 0.331 1.00 12.32 O ATOM 885 CB ILE A 58 -4.488 -4.389 1.299 1.00 32.35 C ATOM 886 CG1 ILE A 58 -4.606 -2.868 1.433 1.00 61.33 C ATOM 887 CG2 ILE A 58 -4.112 -4.773 -0.124 1.00 62.31 C ATOM 888 CD1 ILE A 58 -3.274 -2.152 1.373 1.00 41.50 C ATOM 0 H ILE A 58 -6.152 -6.190 -0.029 1.00 64.02 H new ATOM 0 HA ILE A 58 -5.766 -5.324 2.763 1.00 11.12 H new ATOM 0 HB ILE A 58 -3.700 -4.734 1.968 1.00 32.35 H new ATOM 0 HG12 ILE A 58 -5.249 -2.490 0.638 1.00 61.33 H new ATOM 0 HG13 ILE A 58 -5.095 -2.631 2.378 1.00 61.33 H new ATOM 0 HG21 ILE A 58 -3.175 -4.287 -0.396 1.00 62.31 H new ATOM 0 HG22 ILE A 58 -3.992 -5.854 -0.190 1.00 62.31 H new ATOM 0 HG23 ILE A 58 -4.899 -4.453 -0.807 1.00 62.31 H new ATOM 0 HD11 ILE A 58 -3.433 -1.078 1.474 1.00 41.50 H new ATOM 0 HD12 ILE A 58 -2.636 -2.502 2.184 1.00 41.50 H new ATOM 0 HD13 ILE A 58 -2.792 -2.359 0.417 1.00 41.50 H new ATOM 899 N LEU A 59 -7.519 -3.572 2.560 1.00 45.02 N ATOM 900 CA LEU A 59 -8.625 -2.627 2.475 1.00 11.35 C ATOM 901 C LEU A 59 -8.237 -1.278 3.072 1.00 73.31 C ATOM 902 O LEU A 59 -7.645 -1.211 4.148 1.00 50.52 O ATOM 903 CB LEU A 59 -9.854 -3.182 3.199 1.00 41.21 C ATOM 904 CG LEU A 59 -10.631 -4.272 2.462 1.00 3.12 C ATOM 905 CD1 LEU A 59 -11.567 -4.999 3.416 1.00 41.35 C ATOM 906 CD2 LEU A 59 -11.411 -3.678 1.298 1.00 54.53 C ATOM 0 H LEU A 59 -7.224 -3.791 3.512 1.00 45.02 H new ATOM 0 HA LEU A 59 -8.865 -2.482 1.422 1.00 11.35 H new ATOM 0 HB2 LEU A 59 -9.535 -3.580 4.162 1.00 41.21 H new ATOM 0 HB3 LEU A 59 -10.534 -2.355 3.405 1.00 41.21 H new ATOM 0 HG LEU A 59 -9.917 -4.994 2.065 1.00 3.12 H new ATOM 0 HD11 LEU A 59 -12.112 -5.771 2.873 1.00 41.35 H new ATOM 0 HD12 LEU A 59 -10.986 -5.459 4.216 1.00 41.35 H new ATOM 0 HD13 LEU A 59 -12.275 -4.289 3.843 1.00 41.35 H new ATOM 0 HD21 LEU A 59 -11.958 -4.469 0.785 1.00 54.53 H new ATOM 0 HD22 LEU A 59 -12.115 -2.935 1.673 1.00 54.53 H new ATOM 0 HD23 LEU A 59 -10.720 -3.204 0.601 1.00 54.53 H new ATOM 917 N VAL A 60 -8.574 -0.204 2.365 1.00 24.34 N ATOM 918 CA VAL A 60 -8.264 1.143 2.825 1.00 15.11 C ATOM 919 C VAL A 60 -9.437 1.747 3.589 1.00 74.13 C ATOM 920 O VAL A 60 -10.584 1.654 3.158 1.00 3.15 O ATOM 921 CB VAL A 60 -7.900 2.069 1.649 1.00 64.21 C ATOM 922 CG1 VAL A 60 -9.111 2.299 0.757 1.00 33.50 C ATOM 923 CG2 VAL A 60 -7.346 3.390 2.162 1.00 21.32 C ATOM 0 H VAL A 60 -9.062 -0.242 1.470 1.00 24.34 H new ATOM 0 HA VAL A 60 -7.405 1.059 3.491 1.00 15.11 H new ATOM 0 HB VAL A 60 -7.126 1.585 1.053 1.00 64.21 H new ATOM 0 HG11 VAL A 60 -8.835 2.955 -0.068 1.00 33.50 H new ATOM 0 HG12 VAL A 60 -9.458 1.344 0.361 1.00 33.50 H new ATOM 0 HG13 VAL A 60 -9.908 2.762 1.338 1.00 33.50 H new ATOM 0 HG21 VAL A 60 -7.094 4.031 1.317 1.00 21.32 H new ATOM 0 HG22 VAL A 60 -8.095 3.883 2.781 1.00 21.32 H new ATOM 0 HG23 VAL A 60 -6.451 3.203 2.755 1.00 21.32 H new ATOM 933 N ASN A 61 -9.139 2.369 4.726 1.00 61.53 N ATOM 934 CA ASN A 61 -10.168 2.989 5.551 1.00 1.24 C ATOM 935 C ASN A 61 -11.409 2.104 5.629 1.00 31.13 C ATOM 936 O ASN A 61 -12.537 2.594 5.597 1.00 71.33 O ATOM 937 CB ASN A 61 -10.543 4.362 4.990 1.00 22.34 C ATOM 938 CG ASN A 61 -11.061 4.283 3.566 1.00 51.53 C ATOM 939 OD1 ASN A 61 -10.296 4.826 2.627 1.00 22.53 O flip ATOM 940 ND2 ASN A 61 -12.137 3.741 3.315 1.00 62.54 N flip ATOM 0 H ASN A 61 -8.193 2.456 5.096 1.00 61.53 H new ATOM 0 HA ASN A 61 -9.766 3.112 6.557 1.00 1.24 H new ATOM 0 HB2 ASN A 61 -11.303 4.816 5.626 1.00 22.34 H new ATOM 0 HB3 ASN A 61 -9.671 5.015 5.021 1.00 22.34 H new ATOM 0 HD21 ASN A 61 -12.692 3.337 4.069 1.00 62.54 H new ATOM 0 HD22 ASN A 61 -12.473 3.696 2.353 1.00 62.54 H new ATOM 946 N GLY A 62 -11.191 0.796 5.731 1.00 13.33 N ATOM 947 CA GLY A 62 -12.300 -0.137 5.812 1.00 52.20 C ATOM 948 C GLY A 62 -13.234 -0.031 4.624 1.00 1.44 C ATOM 949 O GLY A 62 -14.440 0.155 4.788 1.00 54.25 O ATOM 0 H GLY A 62 -10.266 0.366 5.759 1.00 13.33 H new ATOM 0 HA2 GLY A 62 -11.912 -1.154 5.875 1.00 52.20 H new ATOM 0 HA3 GLY A 62 -12.860 0.048 6.728 1.00 52.20 H new ATOM 953 N ASN A 63 -12.678 -0.149 3.423 1.00 14.45 N ATOM 954 CA ASN A 63 -13.471 -0.063 2.201 1.00 40.41 C ATOM 955 C ASN A 63 -12.590 -0.237 0.968 1.00 1.31 C ATOM 956 O ASN A 63 -11.658 0.534 0.745 1.00 34.13 O ATOM 957 CB ASN A 63 -14.201 1.281 2.136 1.00 24.52 C ATOM 958 CG ASN A 63 -15.708 1.123 2.191 1.00 22.23 C ATOM 959 OD1 ASN A 63 -16.384 1.781 2.982 1.00 34.22 O ATOM 960 ND2 ASN A 63 -16.242 0.246 1.349 1.00 71.11 N ATOM 0 H ASN A 63 -11.682 -0.304 3.269 1.00 14.45 H new ATOM 0 HA ASN A 63 -14.206 -0.868 2.216 1.00 40.41 H new ATOM 0 HB2 ASN A 63 -13.874 1.910 2.964 1.00 24.52 H new ATOM 0 HB3 ASN A 63 -13.926 1.797 1.216 1.00 24.52 H new ATOM 0 HD21 ASN A 63 -17.251 0.096 1.341 1.00 71.11 H new ATOM 0 HD22 ASN A 63 -15.643 -0.278 0.710 1.00 71.11 H new ATOM 966 N ASN A 64 -12.894 -1.255 0.170 1.00 51.02 N ATOM 967 CA ASN A 64 -12.129 -1.532 -1.041 1.00 34.14 C ATOM 968 C ASN A 64 -12.183 -0.345 -1.999 1.00 60.13 C ATOM 969 O ASN A 64 -13.231 0.274 -2.180 1.00 4.31 O ATOM 970 CB ASN A 64 -12.667 -2.784 -1.734 1.00 44.44 C ATOM 971 CG ASN A 64 -14.098 -2.615 -2.209 1.00 62.04 C ATOM 972 OD1 ASN A 64 -14.962 -2.164 -1.458 1.00 3.13 O ATOM 973 ND2 ASN A 64 -14.352 -2.978 -3.460 1.00 22.30 N ATOM 0 H ASN A 64 -13.664 -1.902 0.340 1.00 51.02 H new ATOM 0 HA ASN A 64 -11.091 -1.701 -0.755 1.00 34.14 H new ATOM 0 HB2 ASN A 64 -12.031 -3.026 -2.586 1.00 44.44 H new ATOM 0 HB3 ASN A 64 -12.613 -3.628 -1.046 1.00 44.44 H new ATOM 0 HD21 ASN A 64 -15.296 -2.888 -3.835 1.00 22.30 H new ATOM 0 HD22 ASN A 64 -13.603 -3.347 -4.046 1.00 22.30 H new ATOM 979 N ILE A 65 -11.045 -0.034 -2.611 1.00 53.43 N ATOM 980 CA ILE A 65 -10.962 1.077 -3.551 1.00 64.44 C ATOM 981 C ILE A 65 -11.612 0.718 -4.883 1.00 1.44 C ATOM 982 O ILE A 65 -12.165 1.579 -5.570 1.00 54.45 O ATOM 983 CB ILE A 65 -9.501 1.493 -3.803 1.00 74.50 C ATOM 984 CG1 ILE A 65 -8.740 0.368 -4.506 1.00 72.30 C ATOM 985 CG2 ILE A 65 -8.822 1.861 -2.492 1.00 30.24 C ATOM 986 CD1 ILE A 65 -7.280 0.684 -4.748 1.00 22.25 C ATOM 0 H ILE A 65 -10.168 -0.536 -2.473 1.00 53.43 H new ATOM 0 HA ILE A 65 -11.497 1.913 -3.100 1.00 64.44 H new ATOM 0 HB ILE A 65 -9.495 2.369 -4.452 1.00 74.50 H new ATOM 0 HG12 ILE A 65 -8.812 -0.539 -3.906 1.00 72.30 H new ATOM 0 HG13 ILE A 65 -9.221 0.157 -5.461 1.00 72.30 H new ATOM 0 HG21 ILE A 65 -7.790 2.153 -2.686 1.00 30.24 H new ATOM 0 HG22 ILE A 65 -9.353 2.692 -2.028 1.00 30.24 H new ATOM 0 HG23 ILE A 65 -8.836 1.002 -1.821 1.00 30.24 H new ATOM 0 HD11 ILE A 65 -6.804 -0.158 -5.250 1.00 22.25 H new ATOM 0 HD12 ILE A 65 -7.199 1.572 -5.374 1.00 22.25 H new ATOM 0 HD13 ILE A 65 -6.784 0.866 -3.794 1.00 22.25 H new ATOM 997 N THR A 66 -11.546 -0.560 -5.244 1.00 44.31 N ATOM 998 CA THR A 66 -12.129 -1.034 -6.492 1.00 14.14 C ATOM 999 C THR A 66 -13.625 -0.744 -6.546 1.00 64.25 C ATOM 1000 O THR A 66 -14.200 -0.594 -7.624 1.00 14.43 O ATOM 1001 CB THR A 66 -11.904 -2.546 -6.680 1.00 74.22 C ATOM 1002 OG1 THR A 66 -12.293 -3.250 -5.497 1.00 53.42 O ATOM 1003 CG2 THR A 66 -10.445 -2.840 -6.994 1.00 63.43 C ATOM 0 H THR A 66 -11.094 -1.286 -4.688 1.00 44.31 H new ATOM 0 HA THR A 66 -11.628 -0.497 -7.298 1.00 14.14 H new ATOM 0 HB THR A 66 -12.515 -2.881 -7.518 1.00 74.22 H new ATOM 0 HG1 THR A 66 -12.951 -3.939 -5.728 1.00 53.42 H new ATOM 0 HG21 THR A 66 -10.310 -3.914 -7.123 1.00 63.43 H new ATOM 0 HG22 THR A 66 -10.160 -2.326 -7.912 1.00 63.43 H new ATOM 0 HG23 THR A 66 -9.819 -2.491 -6.173 1.00 63.43 H new ATOM 1011 N SER A 67 -14.250 -0.667 -5.375 1.00 75.23 N ATOM 1012 CA SER A 67 -15.680 -0.397 -5.288 1.00 21.13 C ATOM 1013 C SER A 67 -16.055 0.824 -6.121 1.00 34.42 C ATOM 1014 O SER A 67 -17.034 0.804 -6.867 1.00 74.41 O ATOM 1015 CB SER A 67 -16.094 -0.181 -3.832 1.00 43.15 C ATOM 1016 OG SER A 67 -17.399 -0.678 -3.593 1.00 41.42 O ATOM 0 H SER A 67 -13.788 -0.788 -4.474 1.00 75.23 H new ATOM 0 HA SER A 67 -16.211 -1.263 -5.684 1.00 21.13 H new ATOM 0 HB2 SER A 67 -15.385 -0.680 -3.171 1.00 43.15 H new ATOM 0 HB3 SER A 67 -16.057 0.882 -3.594 1.00 43.15 H new ATOM 0 HG SER A 67 -17.639 -0.529 -2.655 1.00 41.42 H new ATOM 1021 N MET A 68 -15.268 1.888 -5.988 1.00 23.32 N ATOM 1022 CA MET A 68 -15.516 3.118 -6.730 1.00 55.44 C ATOM 1023 C MET A 68 -14.337 3.451 -7.640 1.00 14.25 C ATOM 1024 O MET A 68 -14.408 3.268 -8.855 1.00 40.33 O ATOM 1025 CB MET A 68 -15.773 4.277 -5.764 1.00 73.15 C ATOM 1026 CG MET A 68 -15.235 4.031 -4.363 1.00 54.10 C ATOM 1027 SD MET A 68 -15.574 5.400 -3.239 1.00 0.45 S ATOM 1028 CE MET A 68 -14.762 6.749 -4.092 1.00 5.33 C ATOM 0 H MET A 68 -14.454 1.922 -5.374 1.00 23.32 H new ATOM 0 HA MET A 68 -16.400 2.968 -7.350 1.00 55.44 H new ATOM 0 HB2 MET A 68 -15.317 5.182 -6.166 1.00 73.15 H new ATOM 0 HB3 MET A 68 -16.846 4.459 -5.706 1.00 73.15 H new ATOM 0 HG2 MET A 68 -15.678 3.119 -3.963 1.00 54.10 H new ATOM 0 HG3 MET A 68 -14.159 3.866 -4.415 1.00 54.10 H new ATOM 0 HE1 MET A 68 -14.569 7.560 -3.390 1.00 5.33 H new ATOM 0 HE2 MET A 68 -13.818 6.399 -4.511 1.00 5.33 H new ATOM 0 HE3 MET A 68 -15.404 7.110 -4.896 1.00 5.33 H new ATOM 1036 N LYS A 69 -13.256 3.942 -7.044 1.00 71.32 N ATOM 1037 CA LYS A 69 -12.062 4.301 -7.801 1.00 42.24 C ATOM 1038 C LYS A 69 -10.845 3.533 -7.292 1.00 3.14 C ATOM 1039 O LYS A 69 -10.556 3.532 -6.097 1.00 60.24 O ATOM 1040 CB LYS A 69 -11.805 5.806 -7.706 1.00 41.34 C ATOM 1041 CG LYS A 69 -12.650 6.629 -8.662 1.00 20.13 C ATOM 1042 CD LYS A 69 -12.257 6.382 -10.109 1.00 41.33 C ATOM 1043 CE LYS A 69 -13.073 7.239 -11.063 1.00 64.40 C ATOM 1044 NZ LYS A 69 -12.784 8.690 -10.891 1.00 2.10 N ATOM 0 H LYS A 69 -13.182 4.101 -6.039 1.00 71.32 H new ATOM 0 HA LYS A 69 -12.229 4.033 -8.844 1.00 42.24 H new ATOM 0 HB2 LYS A 69 -12.001 6.136 -6.686 1.00 41.34 H new ATOM 0 HB3 LYS A 69 -10.751 6.000 -7.907 1.00 41.34 H new ATOM 0 HG2 LYS A 69 -13.703 6.382 -8.523 1.00 20.13 H new ATOM 0 HG3 LYS A 69 -12.537 7.688 -8.429 1.00 20.13 H new ATOM 0 HD2 LYS A 69 -11.197 6.598 -10.241 1.00 41.33 H new ATOM 0 HD3 LYS A 69 -12.400 5.329 -10.351 1.00 41.33 H new ATOM 0 HE2 LYS A 69 -12.857 6.945 -12.090 1.00 64.40 H new ATOM 0 HE3 LYS A 69 -14.135 7.058 -10.896 1.00 64.40 H new ATOM 0 HZ1 LYS A 69 -13.183 9.221 -11.692 1.00 2.10 H new ATOM 0 HZ2 LYS A 69 -13.212 9.027 -10.005 1.00 2.10 H new ATOM 0 HZ3 LYS A 69 -11.755 8.837 -10.856 1.00 2.10 H new ATOM 1054 N GLY A 70 -10.136 2.882 -8.209 1.00 60.31 N ATOM 1055 CA GLY A 70 -8.958 2.122 -7.834 1.00 45.13 C ATOM 1056 C GLY A 70 -7.915 2.973 -7.138 1.00 34.22 C ATOM 1057 O GLY A 70 -8.010 3.227 -5.936 1.00 25.52 O ATOM 0 H GLY A 70 -10.356 2.867 -9.205 1.00 60.31 H new ATOM 0 HA2 GLY A 70 -9.252 1.304 -7.177 1.00 45.13 H new ATOM 0 HA3 GLY A 70 -8.520 1.673 -8.726 1.00 45.13 H new ATOM 1061 N LEU A 71 -6.917 3.417 -7.894 1.00 72.15 N ATOM 1062 CA LEU A 71 -5.849 4.245 -7.343 1.00 50.34 C ATOM 1063 C LEU A 71 -6.323 5.680 -7.139 1.00 34.23 C ATOM 1064 O LEU A 71 -5.694 6.457 -6.421 1.00 71.44 O ATOM 1065 CB LEU A 71 -4.631 4.224 -8.267 1.00 23.33 C ATOM 1066 CG LEU A 71 -3.294 3.884 -7.609 1.00 74.01 C ATOM 1067 CD1 LEU A 71 -3.229 2.404 -7.266 1.00 50.45 C ATOM 1068 CD2 LEU A 71 -2.138 4.274 -8.518 1.00 52.14 C ATOM 0 H LEU A 71 -6.825 3.218 -8.890 1.00 72.15 H new ATOM 0 HA LEU A 71 -5.568 3.834 -6.374 1.00 50.34 H new ATOM 0 HB2 LEU A 71 -4.816 3.501 -9.062 1.00 23.33 H new ATOM 0 HB3 LEU A 71 -4.542 5.202 -8.740 1.00 23.33 H new ATOM 0 HG LEU A 71 -3.211 4.454 -6.684 1.00 74.01 H new ATOM 0 HD11 LEU A 71 -2.270 2.181 -6.798 1.00 50.45 H new ATOM 0 HD12 LEU A 71 -4.036 2.154 -6.577 1.00 50.45 H new ATOM 0 HD13 LEU A 71 -3.335 1.814 -8.177 1.00 50.45 H new ATOM 0 HD21 LEU A 71 -1.194 4.025 -8.033 1.00 52.14 H new ATOM 0 HD22 LEU A 71 -2.217 3.731 -9.460 1.00 52.14 H new ATOM 0 HD23 LEU A 71 -2.174 5.346 -8.713 1.00 52.14 H new ATOM 1079 N ASP A 72 -7.438 6.025 -7.774 1.00 12.52 N ATOM 1080 CA ASP A 72 -7.999 7.366 -7.661 1.00 11.55 C ATOM 1081 C ASP A 72 -8.705 7.549 -6.320 1.00 24.02 C ATOM 1082 O ASP A 72 -9.150 8.647 -5.984 1.00 65.43 O ATOM 1083 CB ASP A 72 -8.977 7.631 -8.807 1.00 13.42 C ATOM 1084 CG ASP A 72 -8.330 8.373 -9.959 1.00 32.33 C ATOM 1085 OD1 ASP A 72 -7.133 8.131 -10.223 1.00 15.25 O ATOM 1086 OD2 ASP A 72 -9.019 9.196 -10.598 1.00 53.23 O ATOM 0 H ASP A 72 -7.971 5.394 -8.372 1.00 12.52 H new ATOM 0 HA ASP A 72 -7.179 8.082 -7.720 1.00 11.55 H new ATOM 0 HB2 ASP A 72 -9.376 6.683 -9.167 1.00 13.42 H new ATOM 0 HB3 ASP A 72 -9.821 8.210 -8.434 1.00 13.42 H new ATOM 1090 N THR A 73 -8.806 6.464 -5.559 1.00 53.45 N ATOM 1091 CA THR A 73 -9.460 6.503 -4.256 1.00 53.31 C ATOM 1092 C THR A 73 -8.747 7.464 -3.312 1.00 31.11 C ATOM 1093 O THR A 73 -7.529 7.399 -3.150 1.00 14.41 O ATOM 1094 CB THR A 73 -9.507 5.106 -3.609 1.00 23.40 C ATOM 1095 OG1 THR A 73 -10.799 4.520 -3.801 1.00 15.42 O ATOM 1096 CG2 THR A 73 -9.196 5.188 -2.122 1.00 2.35 C ATOM 0 H THR A 73 -8.444 5.548 -5.822 1.00 53.45 H new ATOM 0 HA THR A 73 -10.479 6.852 -4.424 1.00 53.31 H new ATOM 0 HB THR A 73 -8.752 4.482 -4.088 1.00 23.40 H new ATOM 0 HG1 THR A 73 -10.963 4.395 -4.759 1.00 15.42 H new ATOM 0 HG21 THR A 73 -9.235 4.190 -1.687 1.00 2.35 H new ATOM 0 HG22 THR A 73 -8.199 5.607 -1.981 1.00 2.35 H new ATOM 0 HG23 THR A 73 -9.930 5.827 -1.631 1.00 2.35 H new ATOM 1104 N GLU A 74 -9.514 8.354 -2.691 1.00 13.32 N ATOM 1105 CA GLU A 74 -8.954 9.329 -1.762 1.00 11.53 C ATOM 1106 C GLU A 74 -8.866 8.750 -0.353 1.00 70.43 C ATOM 1107 O GLU A 74 -9.447 7.703 -0.063 1.00 51.11 O ATOM 1108 CB GLU A 74 -9.803 10.602 -1.750 1.00 42.41 C ATOM 1109 CG GLU A 74 -11.151 10.427 -1.070 1.00 54.34 C ATOM 1110 CD GLU A 74 -12.135 11.522 -1.435 1.00 63.21 C ATOM 1111 OE1 GLU A 74 -11.690 12.664 -1.678 1.00 62.13 O ATOM 1112 OE2 GLU A 74 -13.350 11.236 -1.479 1.00 75.42 O ATOM 0 H GLU A 74 -10.524 8.420 -2.814 1.00 13.32 H new ATOM 0 HA GLU A 74 -7.947 9.576 -2.098 1.00 11.53 H new ATOM 0 HB2 GLU A 74 -9.250 11.393 -1.244 1.00 42.41 H new ATOM 0 HB3 GLU A 74 -9.963 10.932 -2.776 1.00 42.41 H new ATOM 0 HG2 GLU A 74 -11.570 9.460 -1.347 1.00 54.34 H new ATOM 0 HG3 GLU A 74 -11.010 10.416 0.011 1.00 54.34 H new ATOM 1117 N ILE A 75 -8.135 9.438 0.519 1.00 25.54 N ATOM 1118 CA ILE A 75 -7.971 8.992 1.897 1.00 33.54 C ATOM 1119 C ILE A 75 -7.870 10.179 2.849 1.00 44.40 C ATOM 1120 O ILE A 75 -7.451 11.269 2.459 1.00 2.31 O ATOM 1121 CB ILE A 75 -6.719 8.110 2.058 1.00 73.21 C ATOM 1122 CG1 ILE A 75 -5.587 8.626 1.167 1.00 53.03 C ATOM 1123 CG2 ILE A 75 -7.044 6.661 1.725 1.00 14.25 C ATOM 1124 CD1 ILE A 75 -4.290 7.865 1.335 1.00 5.44 C ATOM 0 H ILE A 75 -7.648 10.306 0.295 1.00 25.54 H new ATOM 0 HA ILE A 75 -8.854 8.403 2.146 1.00 33.54 H new ATOM 0 HB ILE A 75 -6.390 8.158 3.096 1.00 73.21 H new ATOM 0 HG12 ILE A 75 -5.901 8.567 0.125 1.00 53.03 H new ATOM 0 HG13 ILE A 75 -5.412 9.679 1.389 1.00 53.03 H new ATOM 0 HG21 ILE A 75 -6.149 6.051 1.844 1.00 14.25 H new ATOM 0 HG22 ILE A 75 -7.822 6.299 2.397 1.00 14.25 H new ATOM 0 HG23 ILE A 75 -7.395 6.594 0.695 1.00 14.25 H new ATOM 0 HD11 ILE A 75 -3.533 8.285 0.673 1.00 5.44 H new ATOM 0 HD12 ILE A 75 -3.953 7.945 2.368 1.00 5.44 H new ATOM 0 HD13 ILE A 75 -4.449 6.816 1.085 1.00 5.44 H new ATOM 1135 N LYS A 76 -8.256 9.958 4.102 1.00 12.11 N ATOM 1136 CA LYS A 76 -8.206 11.008 5.114 1.00 30.40 C ATOM 1137 C LYS A 76 -7.101 10.734 6.127 1.00 73.53 C ATOM 1138 O LYS A 76 -6.458 9.685 6.092 1.00 70.42 O ATOM 1139 CB LYS A 76 -9.554 11.117 5.830 1.00 53.31 C ATOM 1140 CG LYS A 76 -10.663 11.678 4.957 1.00 35.10 C ATOM 1141 CD LYS A 76 -11.817 12.207 5.793 1.00 50.22 C ATOM 1142 CE LYS A 76 -11.530 13.606 6.317 1.00 13.32 C ATOM 1143 NZ LYS A 76 -12.759 14.263 6.843 1.00 34.52 N ATOM 0 H LYS A 76 -8.607 9.062 4.441 1.00 12.11 H new ATOM 0 HA LYS A 76 -7.989 11.952 4.614 1.00 30.40 H new ATOM 0 HB2 LYS A 76 -9.848 10.130 6.186 1.00 53.31 H new ATOM 0 HB3 LYS A 76 -9.439 11.751 6.709 1.00 53.31 H new ATOM 0 HG2 LYS A 76 -10.267 12.480 4.334 1.00 35.10 H new ATOM 0 HG3 LYS A 76 -11.026 10.901 4.284 1.00 35.10 H new ATOM 0 HD2 LYS A 76 -12.726 12.222 5.192 1.00 50.22 H new ATOM 0 HD3 LYS A 76 -11.999 11.534 6.631 1.00 50.22 H new ATOM 0 HE2 LYS A 76 -10.781 13.552 7.107 1.00 13.32 H new ATOM 0 HE3 LYS A 76 -11.107 14.214 5.517 1.00 13.32 H new ATOM 0 HZ1 LYS A 76 -12.522 15.214 7.191 1.00 34.52 H new ATOM 0 HZ2 LYS A 76 -13.465 14.338 6.083 1.00 34.52 H new ATOM 0 HZ3 LYS A 76 -13.149 13.696 7.623 1.00 34.52 H new ATOM 1153 N ASP A 77 -6.884 11.684 7.031 1.00 60.34 N ATOM 1154 CA ASP A 77 -5.857 11.545 8.056 1.00 3.11 C ATOM 1155 C ASP A 77 -6.239 10.464 9.064 1.00 71.30 C ATOM 1156 O ASP A 77 -5.385 9.717 9.541 1.00 60.24 O ATOM 1157 CB ASP A 77 -5.640 12.876 8.775 1.00 54.11 C ATOM 1158 CG ASP A 77 -6.895 13.374 9.465 1.00 71.54 C ATOM 1159 OD1 ASP A 77 -7.890 13.646 8.763 1.00 31.45 O ATOM 1160 OD2 ASP A 77 -6.882 13.488 10.709 1.00 34.23 O ATOM 0 H ASP A 77 -7.406 12.559 7.074 1.00 60.34 H new ATOM 0 HA ASP A 77 -4.928 11.250 7.567 1.00 3.11 H new ATOM 0 HB2 ASP A 77 -4.845 12.762 9.512 1.00 54.11 H new ATOM 0 HB3 ASP A 77 -5.304 13.623 8.056 1.00 54.11 H new ATOM 1164 N ASP A 78 -7.526 10.390 9.384 1.00 21.22 N ATOM 1165 CA ASP A 78 -8.021 9.401 10.335 1.00 70.21 C ATOM 1166 C ASP A 78 -8.087 8.018 9.696 1.00 60.23 C ATOM 1167 O ASP A 78 -7.977 7.001 10.381 1.00 44.21 O ATOM 1168 CB ASP A 78 -9.403 9.805 10.849 1.00 11.31 C ATOM 1169 CG ASP A 78 -9.729 9.176 12.189 1.00 41.44 C ATOM 1170 OD1 ASP A 78 -10.157 8.002 12.206 1.00 74.01 O ATOM 1171 OD2 ASP A 78 -9.556 9.856 13.222 1.00 30.54 O ATOM 0 H ASP A 78 -8.245 11.002 8.999 1.00 21.22 H new ATOM 0 HA ASP A 78 -7.327 9.361 11.174 1.00 70.21 H new ATOM 0 HB2 ASP A 78 -9.451 10.890 10.939 1.00 11.31 H new ATOM 0 HB3 ASP A 78 -10.158 9.512 10.120 1.00 11.31 H new ATOM 1175 N ASP A 79 -8.267 7.987 8.380 1.00 31.03 N ATOM 1176 CA ASP A 79 -8.348 6.728 7.648 1.00 53.43 C ATOM 1177 C ASP A 79 -7.158 5.833 7.976 1.00 4.22 C ATOM 1178 O ASP A 79 -6.093 6.313 8.362 1.00 73.54 O ATOM 1179 CB ASP A 79 -8.405 6.992 6.143 1.00 74.51 C ATOM 1180 CG ASP A 79 -9.788 7.403 5.678 1.00 44.32 C ATOM 1181 OD1 ASP A 79 -10.651 7.662 6.543 1.00 11.15 O ATOM 1182 OD2 ASP A 79 -10.007 7.467 4.451 1.00 43.23 O ATOM 0 H ASP A 79 -8.360 8.820 7.798 1.00 31.03 H new ATOM 0 HA ASP A 79 -9.260 6.215 7.953 1.00 53.43 H new ATOM 0 HB2 ASP A 79 -7.692 7.775 5.887 1.00 74.51 H new ATOM 0 HB3 ASP A 79 -8.097 6.094 5.608 1.00 74.51 H new ATOM 1186 N LYS A 80 -7.347 4.526 7.821 1.00 73.22 N ATOM 1187 CA LYS A 80 -6.291 3.561 8.100 1.00 63.52 C ATOM 1188 C LYS A 80 -6.350 2.391 7.123 1.00 23.04 C ATOM 1189 O LYS A 80 -7.429 1.887 6.810 1.00 1.12 O ATOM 1190 CB LYS A 80 -6.407 3.046 9.537 1.00 34.41 C ATOM 1191 CG LYS A 80 -7.603 2.138 9.761 1.00 45.32 C ATOM 1192 CD LYS A 80 -7.613 1.568 11.170 1.00 0.13 C ATOM 1193 CE LYS A 80 -8.758 0.587 11.366 1.00 42.44 C ATOM 1194 NZ LYS A 80 -9.180 0.503 12.793 1.00 75.51 N ATOM 0 H LYS A 80 -8.223 4.111 7.503 1.00 73.22 H new ATOM 0 HA LYS A 80 -5.332 4.065 7.978 1.00 63.52 H new ATOM 0 HB2 LYS A 80 -5.497 2.505 9.795 1.00 34.41 H new ATOM 0 HB3 LYS A 80 -6.475 3.897 10.215 1.00 34.41 H new ATOM 0 HG2 LYS A 80 -8.523 2.696 9.587 1.00 45.32 H new ATOM 0 HG3 LYS A 80 -7.583 1.323 9.038 1.00 45.32 H new ATOM 0 HD2 LYS A 80 -6.665 1.067 11.368 1.00 0.13 H new ATOM 0 HD3 LYS A 80 -7.701 2.380 11.892 1.00 0.13 H new ATOM 0 HE2 LYS A 80 -9.607 0.893 10.754 1.00 42.44 H new ATOM 0 HE3 LYS A 80 -8.454 -0.400 11.019 1.00 42.44 H new ATOM 0 HZ1 LYS A 80 -9.962 -0.176 12.884 1.00 75.51 H new ATOM 0 HZ2 LYS A 80 -8.378 0.187 13.374 1.00 75.51 H new ATOM 0 HZ3 LYS A 80 -9.495 1.440 13.118 1.00 75.51 H new ATOM 1204 N ILE A 81 -5.186 1.963 6.647 1.00 61.21 N ATOM 1205 CA ILE A 81 -5.107 0.850 5.709 1.00 34.03 C ATOM 1206 C ILE A 81 -4.631 -0.421 6.402 1.00 41.10 C ATOM 1207 O ILE A 81 -3.740 -0.381 7.250 1.00 42.23 O ATOM 1208 CB ILE A 81 -4.160 1.169 4.537 1.00 43.05 C ATOM 1209 CG1 ILE A 81 -4.580 2.470 3.851 1.00 31.12 C ATOM 1210 CG2 ILE A 81 -4.145 0.018 3.541 1.00 35.53 C ATOM 1211 CD1 ILE A 81 -3.883 3.695 4.401 1.00 24.44 C ATOM 0 H ILE A 81 -4.284 2.370 6.895 1.00 61.21 H new ATOM 0 HA ILE A 81 -6.113 0.693 5.320 1.00 34.03 H new ATOM 0 HB ILE A 81 -3.151 1.298 4.929 1.00 43.05 H new ATOM 0 HG12 ILE A 81 -4.372 2.392 2.784 1.00 31.12 H new ATOM 0 HG13 ILE A 81 -5.657 2.596 3.958 1.00 31.12 H new ATOM 0 HG21 ILE A 81 -3.471 0.258 2.718 1.00 35.53 H new ATOM 0 HG22 ILE A 81 -3.802 -0.889 4.038 1.00 35.53 H new ATOM 0 HG23 ILE A 81 -5.151 -0.140 3.152 1.00 35.53 H new ATOM 0 HD11 ILE A 81 -4.229 4.581 3.868 1.00 24.44 H new ATOM 0 HD12 ILE A 81 -4.111 3.798 5.462 1.00 24.44 H new ATOM 0 HD13 ILE A 81 -2.806 3.590 4.270 1.00 24.44 H new ATOM 1222 N ASP A 82 -5.230 -1.548 6.035 1.00 22.25 N ATOM 1223 CA ASP A 82 -4.867 -2.834 6.619 1.00 75.54 C ATOM 1224 C ASP A 82 -4.344 -3.790 5.549 1.00 15.44 C ATOM 1225 O ASP A 82 -4.718 -3.692 4.380 1.00 5.52 O ATOM 1226 CB ASP A 82 -6.069 -3.454 7.331 1.00 52.31 C ATOM 1227 CG ASP A 82 -6.662 -2.529 8.377 1.00 4.15 C ATOM 1228 OD1 ASP A 82 -6.005 -2.309 9.416 1.00 31.41 O ATOM 1229 OD2 ASP A 82 -7.783 -2.026 8.156 1.00 61.52 O ATOM 0 H ASP A 82 -5.970 -1.597 5.335 1.00 22.25 H new ATOM 0 HA ASP A 82 -4.074 -2.663 7.346 1.00 75.54 H new ATOM 0 HB2 ASP A 82 -6.834 -3.704 6.596 1.00 52.31 H new ATOM 0 HB3 ASP A 82 -5.765 -4.387 7.805 1.00 52.31 H new ATOM 1233 N LEU A 83 -3.480 -4.710 5.958 1.00 61.52 N ATOM 1234 CA LEU A 83 -2.905 -5.683 5.035 1.00 25.32 C ATOM 1235 C LEU A 83 -3.052 -7.101 5.577 1.00 54.43 C ATOM 1236 O LEU A 83 -2.581 -7.409 6.673 1.00 14.42 O ATOM 1237 CB LEU A 83 -1.429 -5.370 4.785 1.00 54.13 C ATOM 1238 CG LEU A 83 -0.685 -6.334 3.861 1.00 42.20 C ATOM 1239 CD1 LEU A 83 -0.194 -7.547 4.638 1.00 54.42 C ATOM 1240 CD2 LEU A 83 -1.579 -6.766 2.708 1.00 33.12 C ATOM 0 H LEU A 83 -3.161 -4.804 6.922 1.00 61.52 H new ATOM 0 HA LEU A 83 -3.448 -5.616 4.092 1.00 25.32 H new ATOM 0 HB2 LEU A 83 -1.357 -4.367 4.364 1.00 54.13 H new ATOM 0 HB3 LEU A 83 -0.915 -5.350 5.746 1.00 54.13 H new ATOM 0 HG LEU A 83 0.181 -5.815 3.449 1.00 42.20 H new ATOM 0 HD11 LEU A 83 0.333 -8.222 3.964 1.00 54.42 H new ATOM 0 HD12 LEU A 83 0.482 -7.223 5.429 1.00 54.42 H new ATOM 0 HD13 LEU A 83 -1.045 -8.066 5.078 1.00 54.42 H new ATOM 0 HD21 LEU A 83 -1.032 -7.452 2.061 1.00 33.12 H new ATOM 0 HD22 LEU A 83 -2.464 -7.266 3.101 1.00 33.12 H new ATOM 0 HD23 LEU A 83 -1.882 -5.890 2.135 1.00 33.12 H new ATOM 1251 N PHE A 84 -3.704 -7.961 4.803 1.00 71.22 N ATOM 1252 CA PHE A 84 -3.911 -9.348 5.206 1.00 21.32 C ATOM 1253 C PHE A 84 -3.233 -10.304 4.230 1.00 31.20 C ATOM 1254 O PHE A 84 -3.287 -10.131 3.012 1.00 71.42 O ATOM 1255 CB PHE A 84 -5.407 -9.659 5.286 1.00 42.12 C ATOM 1256 CG PHE A 84 -6.018 -9.325 6.617 1.00 74.02 C ATOM 1257 CD1 PHE A 84 -6.039 -10.260 7.639 1.00 5.05 C ATOM 1258 CD2 PHE A 84 -6.569 -8.075 6.846 1.00 11.44 C ATOM 1259 CE1 PHE A 84 -6.602 -9.956 8.864 1.00 35.22 C ATOM 1260 CE2 PHE A 84 -7.133 -7.764 8.070 1.00 32.42 C ATOM 1261 CZ PHE A 84 -7.149 -8.706 9.080 1.00 73.11 C ATOM 0 H PHE A 84 -4.098 -7.723 3.893 1.00 71.22 H new ATOM 0 HA PHE A 84 -3.465 -9.485 6.191 1.00 21.32 H new ATOM 0 HB2 PHE A 84 -5.928 -9.103 4.506 1.00 42.12 H new ATOM 0 HB3 PHE A 84 -5.561 -10.718 5.080 1.00 42.12 H new ATOM 0 HD1 PHE A 84 -5.610 -11.238 7.477 1.00 5.05 H new ATOM 0 HD2 PHE A 84 -6.558 -7.335 6.060 1.00 11.44 H new ATOM 0 HE1 PHE A 84 -6.614 -10.695 9.652 1.00 35.22 H new ATOM 0 HE2 PHE A 84 -7.560 -6.786 8.236 1.00 32.42 H new ATOM 0 HZ PHE A 84 -7.588 -8.466 10.037 1.00 73.11 H new ATOM 1270 N PRO A 85 -2.577 -11.339 4.775 1.00 11.31 N ATOM 1271 CA PRO A 85 -1.875 -12.344 3.972 1.00 63.35 C ATOM 1272 C PRO A 85 -2.835 -13.237 3.192 1.00 51.02 C ATOM 1273 O PRO A 85 -4.031 -13.301 3.477 1.00 74.24 O ATOM 1274 CB PRO A 85 -1.111 -13.163 5.016 1.00 0.33 C ATOM 1275 CG PRO A 85 -1.892 -12.995 6.274 1.00 34.51 C ATOM 1276 CD PRO A 85 -2.471 -11.608 6.219 1.00 2.25 C ATOM 0 HA PRO A 85 -1.235 -11.888 3.217 1.00 63.35 H new ATOM 0 HB2 PRO A 85 -1.047 -14.212 4.727 1.00 0.33 H new ATOM 0 HB3 PRO A 85 -0.089 -12.801 5.133 1.00 0.33 H new ATOM 0 HG2 PRO A 85 -2.680 -13.744 6.347 1.00 34.51 H new ATOM 0 HG3 PRO A 85 -1.254 -13.117 7.149 1.00 34.51 H new ATOM 0 HD2 PRO A 85 -3.443 -11.559 6.709 1.00 2.25 H new ATOM 0 HD3 PRO A 85 -1.826 -10.883 6.716 1.00 2.25 H new ATOM 1281 N PRO A 86 -2.301 -13.944 2.185 1.00 74.35 N ATOM 1282 CA PRO A 86 -3.093 -14.846 1.345 1.00 44.32 C ATOM 1283 C PRO A 86 -3.553 -16.088 2.102 1.00 11.13 C ATOM 1284 O PRO A 86 -2.875 -16.560 3.013 1.00 55.13 O ATOM 1285 CB PRO A 86 -2.121 -15.233 0.226 1.00 14.43 C ATOM 1286 CG PRO A 86 -0.768 -15.063 0.824 1.00 24.02 C ATOM 1287 CD PRO A 86 -0.883 -13.917 1.790 1.00 53.23 C ATOM 0 HA PRO A 86 -4.009 -14.373 0.990 1.00 44.32 H new ATOM 0 HB2 PRO A 86 -2.283 -16.260 -0.101 1.00 14.43 H new ATOM 0 HB3 PRO A 86 -2.250 -14.596 -0.649 1.00 14.43 H new ATOM 0 HG2 PRO A 86 -0.450 -15.972 1.334 1.00 24.02 H new ATOM 0 HG3 PRO A 86 -0.025 -14.852 0.055 1.00 24.02 H new ATOM 0 HD2 PRO A 86 -0.224 -14.048 2.649 1.00 53.23 H new ATOM 0 HD3 PRO A 86 -0.614 -12.969 1.323 1.00 53.23 H new ATOM 1292 N VAL A 87 -4.713 -16.614 1.717 1.00 72.23 N ATOM 1293 CA VAL A 87 -5.264 -17.801 2.358 1.00 43.21 C ATOM 1294 C VAL A 87 -4.269 -18.956 2.323 1.00 2.10 C ATOM 1295 O VAL A 87 -4.292 -19.834 3.185 1.00 11.12 O ATOM 1296 CB VAL A 87 -6.575 -18.247 1.683 1.00 14.00 C ATOM 1297 CG1 VAL A 87 -7.706 -17.293 2.034 1.00 3.24 C ATOM 1298 CG2 VAL A 87 -6.393 -18.338 0.175 1.00 60.34 C ATOM 0 H VAL A 87 -5.288 -16.236 0.964 1.00 72.23 H new ATOM 0 HA VAL A 87 -5.471 -17.534 3.394 1.00 43.21 H new ATOM 0 HB VAL A 87 -6.837 -19.237 2.055 1.00 14.00 H new ATOM 0 HG11 VAL A 87 -8.624 -17.623 1.549 1.00 3.24 H new ATOM 0 HG12 VAL A 87 -7.850 -17.282 3.114 1.00 3.24 H new ATOM 0 HG13 VAL A 87 -7.455 -16.289 1.691 1.00 3.24 H new ATOM 0 HG21 VAL A 87 -7.329 -18.654 -0.286 1.00 60.34 H new ATOM 0 HG22 VAL A 87 -6.107 -17.362 -0.217 1.00 60.34 H new ATOM 0 HG23 VAL A 87 -5.612 -19.063 -0.054 1.00 60.34 H new ATOM 1308 N ALA A 88 -3.397 -18.949 1.321 1.00 34.51 N ATOM 1309 CA ALA A 88 -2.391 -19.994 1.175 1.00 20.34 C ATOM 1310 C ALA A 88 -1.000 -19.468 1.512 1.00 45.04 C ATOM 1311 O ALA A 88 -0.028 -19.768 0.819 1.00 12.24 O ATOM 1312 CB ALA A 88 -2.417 -20.557 -0.238 1.00 32.13 C ATOM 0 H ALA A 88 -3.367 -18.231 0.597 1.00 34.51 H new ATOM 0 HA ALA A 88 -2.628 -20.793 1.877 1.00 20.34 H new ATOM 0 HB1 ALA A 88 -1.661 -21.336 -0.333 1.00 32.13 H new ATOM 0 HB2 ALA A 88 -3.401 -20.979 -0.444 1.00 32.13 H new ATOM 0 HB3 ALA A 88 -2.208 -19.760 -0.951 1.00 32.13 H new