USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=24 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= -1.43 K(o=-2,f=-13!) USER MOD Set 1.2: A 66 THR OG1 : rot 170:sc= -0.592 USER MOD Set 2.1: A 63 ASN : amide:sc= -0.0616 X(o=-0.062,f=0) USER MOD Set 2.2: A 67 SER OG : rot -160:sc= 0 USER MOD Set 3.1: A 14 THR OG1 : rot 50:sc= 1.26 USER MOD Set 3.2: A 38 TYR OH : rot 171:sc= 2.36 USER MOD Single : A 1 MET CE :methyl 162:sc= -0.0303 (180deg=-0.418) USER MOD Single : A 1 MET N :NH3+ -118:sc= 0.0159 (180deg=-1.52!) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.0157 USER MOD Single : A 6 TYR OH : rot 180:sc= -0.876 USER MOD Single : A 7 TYR OH : rot 90:sc= 0.214 USER MOD Single : A 9 THR OG1 : rot 120:sc= -0.0498 USER MOD Single : A 15 LYS NZ :NH3+ -155:sc= -0.117 (180deg=-0.572) 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 158:sc= 0.759 USER MOD Single : A 22 ASN : amide:sc= -0.996 K(o=-1,f=-10!) USER MOD Single : A 25 SER OG : rot -84:sc= 0.125 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= -0.833 USER MOD Single : A 35 LYS NZ :NH3+ -179:sc= -0.252 (180deg=-0.255) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 170:sc= -0.8 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN :FLIP amide:sc= -2 F(o=-3.2,f=-2) USER MOD Single : A 46 MET CE :methyl 175:sc= -0.766 (180deg=-0.845) USER MOD Single : A 47 TYR OH : rot -74:sc= 1.22 USER MOD Single : A 50 ASN : amide:sc= -0.478 X(o=-0.48,f=-0.014) USER MOD Single : A 51 ASN : amide:sc= -0.344 X(o=-0.34,f=-0.01) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -1.4 X(o=-1.4,f=-1.6) USER MOD Single : A 61 ASN :FLIP amide:sc= -0.489 F(o=-1.4,f=-0.49) USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 107:sc= 1.23 USER MOD Single : A 76 LYS NZ :NH3+ 163:sc= -0.0143 (180deg=-0.154) USER MOD Single : A 80 LYS NZ :NH3+ -153:sc= -0.099 (180deg=-0.554) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.566 11.999 6.536 1.00 2.43 N ATOM 2 CA MET A 1 -1.643 10.940 6.927 1.00 30.22 C ATOM 3 C MET A 1 -2.190 9.570 6.539 1.00 42.33 C ATOM 4 O MET A 1 -3.403 9.355 6.529 1.00 61.52 O ATOM 5 CB MET A 1 -1.383 10.991 8.434 1.00 30.51 C ATOM 6 CG MET A 1 -0.596 9.800 8.955 1.00 71.01 C ATOM 7 SD MET A 1 -0.142 9.974 10.692 1.00 62.13 S ATOM 8 CE MET A 1 -1.460 9.054 11.480 1.00 2.43 C ATOM 0 H1 MET A 1 -2.103 12.626 5.847 1.00 2.43 H new ATOM 0 H2 MET A 1 -3.415 11.579 6.106 1.00 2.43 H new ATOM 0 H3 MET A 1 -2.839 12.549 7.375 1.00 2.43 H new ATOM 0 HA MET A 1 -0.703 11.099 6.398 1.00 30.22 H new ATOM 0 HB2 MET A 1 -0.840 11.906 8.670 1.00 30.51 H new ATOM 0 HB3 MET A 1 -2.338 11.043 8.958 1.00 30.51 H new ATOM 0 HG2 MET A 1 -1.188 8.894 8.827 1.00 71.01 H new ATOM 0 HG3 MET A 1 0.308 9.677 8.358 1.00 71.01 H new ATOM 0 HE1 MET A 1 -1.165 8.795 12.497 1.00 2.43 H new ATOM 0 HE2 MET A 1 -2.363 9.664 11.508 1.00 2.43 H new ATOM 0 HE3 MET A 1 -1.656 8.142 10.915 1.00 2.43 H new ATOM 16 N VAL A 2 -1.289 8.646 6.221 1.00 12.13 N ATOM 17 CA VAL A 2 -1.682 7.297 5.833 1.00 21.04 C ATOM 18 C VAL A 2 -0.927 6.250 6.645 1.00 33.13 C ATOM 19 O VAL A 2 0.294 6.322 6.791 1.00 22.23 O ATOM 20 CB VAL A 2 -1.430 7.047 4.334 1.00 54.13 C ATOM 21 CG1 VAL A 2 -2.253 8.007 3.488 1.00 71.04 C ATOM 22 CG2 VAL A 2 0.051 7.177 4.014 1.00 54.34 C ATOM 0 H VAL A 2 -0.282 8.807 6.225 1.00 12.13 H new ATOM 0 HA VAL A 2 -2.750 7.209 6.034 1.00 21.04 H new ATOM 0 HB VAL A 2 -1.742 6.030 4.095 1.00 54.13 H new ATOM 0 HG11 VAL A 2 -2.063 7.816 2.432 1.00 71.04 H new ATOM 0 HG12 VAL A 2 -3.312 7.860 3.698 1.00 71.04 H new ATOM 0 HG13 VAL A 2 -1.974 9.033 3.727 1.00 71.04 H new ATOM 0 HG21 VAL A 2 0.211 6.997 2.951 1.00 54.34 H new ATOM 0 HG22 VAL A 2 0.391 8.181 4.267 1.00 54.34 H new ATOM 0 HG23 VAL A 2 0.614 6.446 4.594 1.00 54.34 H new ATOM 32 N THR A 3 -1.661 5.276 7.173 1.00 1.41 N ATOM 33 CA THR A 3 -1.063 4.214 7.972 1.00 62.32 C ATOM 34 C THR A 3 -1.221 2.859 7.292 1.00 65.22 C ATOM 35 O THR A 3 -2.307 2.508 6.831 1.00 4.24 O ATOM 36 CB THR A 3 -1.688 4.147 9.377 1.00 2.41 C ATOM 37 OG1 THR A 3 -2.057 5.460 9.813 1.00 61.24 O ATOM 38 CG2 THR A 3 -0.717 3.530 10.374 1.00 30.43 C ATOM 0 H THR A 3 -2.672 5.201 7.061 1.00 1.41 H new ATOM 0 HA THR A 3 -0.003 4.449 8.066 1.00 62.32 H new ATOM 0 HB THR A 3 -2.577 3.519 9.324 1.00 2.41 H new ATOM 0 HG1 THR A 3 -2.455 5.408 10.707 1.00 61.24 H new ATOM 0 HG21 THR A 3 -1.181 3.494 11.359 1.00 30.43 H new ATOM 0 HG22 THR A 3 -0.462 2.519 10.056 1.00 30.43 H new ATOM 0 HG23 THR A 3 0.189 4.135 10.422 1.00 30.43 H new ATOM 46 N VAL A 4 -0.131 2.100 7.232 1.00 51.53 N ATOM 47 CA VAL A 4 -0.150 0.782 6.611 1.00 0.20 C ATOM 48 C VAL A 4 0.385 -0.283 7.562 1.00 71.43 C ATOM 49 O VAL A 4 1.362 -0.057 8.275 1.00 74.24 O ATOM 50 CB VAL A 4 0.681 0.760 5.314 1.00 34.14 C ATOM 51 CG1 VAL A 4 0.516 -0.569 4.595 1.00 32.10 C ATOM 52 CG2 VAL A 4 0.285 1.919 4.410 1.00 64.12 C ATOM 0 H VAL A 4 0.777 2.376 7.606 1.00 51.53 H new ATOM 0 HA VAL A 4 -1.190 0.561 6.372 1.00 0.20 H new ATOM 0 HB VAL A 4 1.733 0.874 5.575 1.00 34.14 H new ATOM 0 HG11 VAL A 4 1.111 -0.565 3.681 1.00 32.10 H new ATOM 0 HG12 VAL A 4 0.853 -1.378 5.243 1.00 32.10 H new ATOM 0 HG13 VAL A 4 -0.534 -0.719 4.344 1.00 32.10 H new ATOM 0 HG21 VAL A 4 0.881 1.889 3.498 1.00 64.12 H new ATOM 0 HG22 VAL A 4 -0.772 1.837 4.156 1.00 64.12 H new ATOM 0 HG23 VAL A 4 0.462 2.861 4.928 1.00 64.12 H new ATOM 62 N ARG A 5 -0.260 -1.444 7.566 1.00 25.02 N ATOM 63 CA ARG A 5 0.151 -2.544 8.430 1.00 22.22 C ATOM 64 C ARG A 5 0.663 -3.721 7.604 1.00 53.43 C ATOM 65 O ARG A 5 0.323 -3.864 6.430 1.00 72.41 O ATOM 66 CB ARG A 5 -1.018 -2.995 9.309 1.00 55.21 C ATOM 67 CG ARG A 5 -1.137 -2.216 10.609 1.00 60.30 C ATOM 68 CD ARG A 5 -0.250 -2.804 11.695 1.00 62.23 C ATOM 69 NE ARG A 5 -0.838 -4.000 12.293 1.00 12.40 N ATOM 70 CZ ARG A 5 -0.440 -4.514 13.452 1.00 13.03 C ATOM 71 NH1 ARG A 5 0.542 -3.939 14.132 1.00 53.44 N ATOM 72 NH2 ARG A 5 -1.025 -5.604 13.932 1.00 74.00 N ATOM 0 H ARG A 5 -1.070 -1.648 6.980 1.00 25.02 H new ATOM 0 HA ARG A 5 0.961 -2.189 9.068 1.00 22.22 H new ATOM 0 HB2 ARG A 5 -1.946 -2.891 8.747 1.00 55.21 H new ATOM 0 HB3 ARG A 5 -0.901 -4.054 9.539 1.00 55.21 H new ATOM 0 HG2 ARG A 5 -0.862 -1.175 10.437 1.00 60.30 H new ATOM 0 HG3 ARG A 5 -2.174 -2.220 10.943 1.00 60.30 H new ATOM 0 HD2 ARG A 5 0.724 -3.051 11.273 1.00 62.23 H new ATOM 0 HD3 ARG A 5 -0.082 -2.056 12.470 1.00 62.23 H new ATOM 0 HE ARG A 5 -1.595 -4.466 11.794 1.00 12.40 H new ATOM 0 HH11 ARG A 5 0.993 -3.101 13.766 1.00 53.44 H new ATOM 0 HH12 ARG A 5 0.846 -4.335 15.021 1.00 53.44 H new ATOM 0 HH21 ARG A 5 -1.781 -6.048 13.411 1.00 74.00 H new ATOM 0 HH22 ARG A 5 -0.719 -5.998 14.822 1.00 74.00 H new ATOM 83 N TYR A 6 1.482 -4.560 8.228 1.00 64.32 N ATOM 84 CA TYR A 6 2.044 -5.723 7.551 1.00 50.33 C ATOM 85 C TYR A 6 2.157 -6.908 8.506 1.00 1.33 C ATOM 86 O TYR A 6 2.697 -6.785 9.605 1.00 54.32 O ATOM 87 CB TYR A 6 3.421 -5.388 6.973 1.00 12.45 C ATOM 88 CG TYR A 6 3.466 -4.061 6.250 1.00 35.24 C ATOM 89 CD1 TYR A 6 2.859 -3.901 5.010 1.00 50.54 C ATOM 90 CD2 TYR A 6 4.115 -2.966 6.807 1.00 14.30 C ATOM 91 CE1 TYR A 6 2.899 -2.690 4.345 1.00 43.24 C ATOM 92 CE2 TYR A 6 4.158 -1.751 6.150 1.00 52.41 C ATOM 93 CZ TYR A 6 3.549 -1.618 4.920 1.00 43.34 C ATOM 94 OH TYR A 6 3.590 -0.411 4.262 1.00 71.32 O ATOM 0 H TYR A 6 1.771 -4.457 9.201 1.00 64.32 H new ATOM 0 HA TYR A 6 1.372 -5.997 6.738 1.00 50.33 H new ATOM 0 HB2 TYR A 6 4.152 -5.377 7.781 1.00 12.45 H new ATOM 0 HB3 TYR A 6 3.719 -6.178 6.284 1.00 12.45 H new ATOM 0 HD1 TYR A 6 2.347 -4.738 4.558 1.00 50.54 H new ATOM 0 HD2 TYR A 6 4.594 -3.066 7.770 1.00 14.30 H new ATOM 0 HE1 TYR A 6 2.424 -2.584 3.381 1.00 43.24 H new ATOM 0 HE2 TYR A 6 4.666 -0.910 6.598 1.00 52.41 H new ATOM 0 HH TYR A 6 4.085 0.240 4.803 1.00 71.32 H new ATOM 103 N TYR A 7 1.644 -8.056 8.077 1.00 32.10 N ATOM 104 CA TYR A 7 1.684 -9.264 8.892 1.00 55.03 C ATOM 105 C TYR A 7 3.024 -9.977 8.743 1.00 20.11 C ATOM 106 O TYR A 7 3.900 -9.529 8.004 1.00 24.41 O ATOM 107 CB TYR A 7 0.545 -10.207 8.502 1.00 32.00 C ATOM 108 CG TYR A 7 -0.718 -9.997 9.307 1.00 32.10 C ATOM 109 CD1 TYR A 7 -1.317 -8.746 9.384 1.00 41.20 C ATOM 110 CD2 TYR A 7 -1.311 -11.050 9.990 1.00 5.51 C ATOM 111 CE1 TYR A 7 -2.470 -8.550 10.119 1.00 41.10 C ATOM 112 CE2 TYR A 7 -2.465 -10.865 10.728 1.00 33.30 C ATOM 113 CZ TYR A 7 -3.040 -9.612 10.789 1.00 4.22 C ATOM 114 OH TYR A 7 -4.190 -9.421 11.521 1.00 42.42 O ATOM 0 H TYR A 7 1.195 -8.175 7.169 1.00 32.10 H new ATOM 0 HA TYR A 7 1.562 -8.972 9.935 1.00 55.03 H new ATOM 0 HB2 TYR A 7 0.318 -10.072 7.444 1.00 32.00 H new ATOM 0 HB3 TYR A 7 0.878 -11.237 8.627 1.00 32.00 H new ATOM 0 HD1 TYR A 7 -0.874 -7.912 8.860 1.00 41.20 H new ATOM 0 HD2 TYR A 7 -0.863 -12.031 9.944 1.00 5.51 H new ATOM 0 HE1 TYR A 7 -2.922 -7.571 10.169 1.00 41.10 H new ATOM 0 HE2 TYR A 7 -2.914 -11.695 11.253 1.00 33.30 H new ATOM 0 HH TYR A 7 -4.971 -9.579 10.950 1.00 42.42 H new ATOM 123 N ALA A 8 3.176 -11.092 9.451 1.00 55.43 N ATOM 124 CA ALA A 8 4.407 -11.870 9.397 1.00 0.23 C ATOM 125 C ALA A 8 4.796 -12.180 7.956 1.00 44.03 C ATOM 126 O ALA A 8 5.979 -12.284 7.629 1.00 73.05 O ATOM 127 CB ALA A 8 4.253 -13.157 10.194 1.00 70.53 C ATOM 0 H ALA A 8 2.461 -11.476 10.069 1.00 55.43 H new ATOM 0 HA ALA A 8 5.205 -11.275 9.841 1.00 0.23 H new ATOM 0 HB1 ALA A 8 5.180 -13.728 10.145 1.00 70.53 H new ATOM 0 HB2 ALA A 8 4.029 -12.917 11.233 1.00 70.53 H new ATOM 0 HB3 ALA A 8 3.439 -13.749 9.775 1.00 70.53 H new ATOM 133 N THR A 9 3.793 -12.330 7.096 1.00 40.03 N ATOM 134 CA THR A 9 4.031 -12.632 5.689 1.00 53.42 C ATOM 135 C THR A 9 4.898 -11.561 5.037 1.00 20.21 C ATOM 136 O THR A 9 5.672 -11.847 4.122 1.00 53.20 O ATOM 137 CB THR A 9 2.708 -12.751 4.910 1.00 21.12 C ATOM 138 OG1 THR A 9 1.664 -12.064 5.608 1.00 0.25 O ATOM 139 CG2 THR A 9 2.322 -14.209 4.717 1.00 63.24 C ATOM 0 H THR A 9 2.808 -12.247 7.349 1.00 40.03 H new ATOM 0 HA THR A 9 4.552 -13.589 5.653 1.00 53.42 H new ATOM 0 HB THR A 9 2.848 -12.296 3.929 1.00 21.12 H new ATOM 0 HG1 THR A 9 1.302 -11.354 5.038 1.00 0.25 H new ATOM 0 HG21 THR A 9 1.384 -14.267 4.164 1.00 63.24 H new ATOM 0 HG22 THR A 9 3.105 -14.722 4.158 1.00 63.24 H new ATOM 0 HG23 THR A 9 2.200 -14.685 5.690 1.00 63.24 H new ATOM 147 N LEU A 10 4.765 -10.327 5.513 1.00 63.51 N ATOM 148 CA LEU A 10 5.537 -9.213 4.975 1.00 42.05 C ATOM 149 C LEU A 10 6.621 -8.778 5.957 1.00 43.20 C ATOM 150 O LEU A 10 7.092 -7.642 5.913 1.00 14.02 O ATOM 151 CB LEU A 10 4.617 -8.034 4.659 1.00 33.35 C ATOM 152 CG LEU A 10 3.920 -8.072 3.298 1.00 52.22 C ATOM 153 CD1 LEU A 10 3.118 -9.356 3.145 1.00 35.33 C ATOM 154 CD2 LEU A 10 3.023 -6.856 3.124 1.00 12.43 C ATOM 0 H LEU A 10 4.130 -10.074 6.270 1.00 63.51 H new ATOM 0 HA LEU A 10 6.017 -9.547 4.055 1.00 42.05 H new ATOM 0 HB2 LEU A 10 3.853 -7.977 5.434 1.00 33.35 H new ATOM 0 HB3 LEU A 10 5.202 -7.116 4.720 1.00 33.35 H new ATOM 0 HG LEU A 10 4.683 -8.049 2.520 1.00 52.22 H new ATOM 0 HD11 LEU A 10 2.629 -9.366 2.171 1.00 35.33 H new ATOM 0 HD12 LEU A 10 3.786 -10.214 3.224 1.00 35.33 H new ATOM 0 HD13 LEU A 10 2.364 -9.410 3.930 1.00 35.33 H new ATOM 0 HD21 LEU A 10 2.535 -6.900 2.150 1.00 12.43 H new ATOM 0 HD22 LEU A 10 2.266 -6.847 3.909 1.00 12.43 H new ATOM 0 HD23 LEU A 10 3.624 -5.949 3.188 1.00 12.43 H new ATOM 165 N ARG A 11 7.013 -9.690 6.841 1.00 20.23 N ATOM 166 CA ARG A 11 8.041 -9.401 7.833 1.00 23.31 C ATOM 167 C ARG A 11 9.377 -9.098 7.159 1.00 2.42 C ATOM 168 O ARG A 11 9.994 -8.058 7.390 1.00 22.52 O ATOM 169 CB ARG A 11 8.199 -10.581 8.794 1.00 22.13 C ATOM 170 CG ARG A 11 9.513 -10.572 9.558 1.00 20.44 C ATOM 171 CD ARG A 11 10.449 -11.665 9.068 1.00 62.14 C ATOM 172 NE ARG A 11 9.836 -12.989 9.150 1.00 73.35 N ATOM 173 CZ ARG A 11 9.723 -13.677 10.280 1.00 1.15 C ATOM 174 NH1 ARG A 11 10.177 -13.169 11.418 1.00 42.31 N ATOM 175 NH2 ARG A 11 9.152 -14.875 10.274 1.00 1.24 N ATOM 0 H ARG A 11 6.634 -10.636 6.890 1.00 20.23 H new ATOM 0 HA ARG A 11 7.730 -8.521 8.396 1.00 23.31 H new ATOM 0 HB2 ARG A 11 7.374 -10.572 9.506 1.00 22.13 H new ATOM 0 HB3 ARG A 11 8.123 -11.511 8.230 1.00 22.13 H new ATOM 0 HG2 ARG A 11 9.995 -9.601 9.444 1.00 20.44 H new ATOM 0 HG3 ARG A 11 9.318 -10.708 10.622 1.00 20.44 H new ATOM 0 HD2 ARG A 11 10.735 -11.461 8.036 1.00 62.14 H new ATOM 0 HD3 ARG A 11 11.364 -11.652 9.661 1.00 62.14 H new ATOM 0 HE ARG A 11 9.475 -13.407 8.293 1.00 73.35 H new ATOM 0 HH11 ARG A 11 10.614 -12.248 11.427 1.00 42.31 H new ATOM 0 HH12 ARG A 11 10.089 -13.700 12.285 1.00 42.31 H new ATOM 0 HH21 ARG A 11 8.800 -15.268 9.401 1.00 1.24 H new ATOM 0 HH22 ARG A 11 9.065 -15.403 11.142 1.00 1.24 H new ATOM 186 N PRO A 12 9.834 -10.027 6.307 1.00 31.34 N ATOM 187 CA PRO A 12 11.100 -9.882 5.582 1.00 11.23 C ATOM 188 C PRO A 12 11.036 -8.793 4.516 1.00 61.01 C ATOM 189 O PRO A 12 12.053 -8.429 3.925 1.00 44.34 O ATOM 190 CB PRO A 12 11.297 -11.254 4.933 1.00 53.23 C ATOM 191 CG PRO A 12 9.922 -11.813 4.804 1.00 73.01 C ATOM 192 CD PRO A 12 9.150 -11.290 5.983 1.00 12.23 C ATOM 0 HA PRO A 12 11.916 -9.587 6.242 1.00 11.23 H new ATOM 0 HB2 PRO A 12 11.781 -11.166 3.961 1.00 53.23 H new ATOM 0 HB3 PRO A 12 11.929 -11.895 5.547 1.00 53.23 H new ATOM 0 HG2 PRO A 12 9.461 -11.502 3.867 1.00 73.01 H new ATOM 0 HG3 PRO A 12 9.942 -12.903 4.803 1.00 73.01 H new ATOM 0 HD2 PRO A 12 8.101 -11.127 5.736 1.00 12.23 H new ATOM 0 HD3 PRO A 12 9.175 -11.987 6.821 1.00 12.23 H new ATOM 197 N ILE A 13 9.835 -8.277 4.275 1.00 65.41 N ATOM 198 CA ILE A 13 9.641 -7.230 3.280 1.00 33.22 C ATOM 199 C ILE A 13 9.565 -5.855 3.937 1.00 1.41 C ATOM 200 O ILE A 13 9.966 -4.850 3.350 1.00 71.21 O ATOM 201 CB ILE A 13 8.360 -7.464 2.457 1.00 42.30 C ATOM 202 CG1 ILE A 13 8.272 -8.927 2.018 1.00 2.40 C ATOM 203 CG2 ILE A 13 8.329 -6.541 1.249 1.00 15.31 C ATOM 204 CD1 ILE A 13 7.032 -9.242 1.210 1.00 12.04 C ATOM 0 H ILE A 13 8.983 -8.567 4.755 1.00 65.41 H new ATOM 0 HA ILE A 13 10.503 -7.266 2.613 1.00 33.22 H new ATOM 0 HB ILE A 13 7.497 -7.238 3.083 1.00 42.30 H new ATOM 0 HG12 ILE A 13 9.154 -9.174 1.427 1.00 2.40 H new ATOM 0 HG13 ILE A 13 8.292 -9.565 2.902 1.00 2.40 H new ATOM 0 HG21 ILE A 13 7.418 -6.719 0.678 1.00 15.31 H new ATOM 0 HG22 ILE A 13 8.351 -5.504 1.583 1.00 15.31 H new ATOM 0 HG23 ILE A 13 9.196 -6.738 0.619 1.00 15.31 H new ATOM 0 HD11 ILE A 13 7.036 -10.296 0.933 1.00 12.04 H new ATOM 0 HD12 ILE A 13 6.145 -9.027 1.806 1.00 12.04 H new ATOM 0 HD13 ILE A 13 7.020 -8.630 0.308 1.00 12.04 H new ATOM 215 N THR A 14 9.047 -5.819 5.162 1.00 41.11 N ATOM 216 CA THR A 14 8.919 -4.569 5.900 1.00 22.22 C ATOM 217 C THR A 14 10.089 -4.372 6.857 1.00 62.33 C ATOM 218 O THR A 14 10.297 -3.280 7.383 1.00 33.21 O ATOM 219 CB THR A 14 7.603 -4.523 6.700 1.00 14.24 C ATOM 220 OG1 THR A 14 7.398 -3.208 7.230 1.00 3.03 O ATOM 221 CG2 THR A 14 7.624 -5.535 7.836 1.00 33.55 C ATOM 0 H THR A 14 8.710 -6.641 5.663 1.00 41.11 H new ATOM 0 HA THR A 14 8.918 -3.766 5.163 1.00 22.22 H new ATOM 0 HB THR A 14 6.785 -4.775 6.026 1.00 14.24 H new ATOM 0 HG1 THR A 14 7.510 -2.546 6.516 1.00 3.03 H new ATOM 0 HG21 THR A 14 6.685 -5.484 8.386 1.00 33.55 H new ATOM 0 HG22 THR A 14 7.751 -6.538 7.428 1.00 33.55 H new ATOM 0 HG23 THR A 14 8.451 -5.310 8.509 1.00 33.55 H new ATOM 229 N LYS A 15 10.852 -5.438 7.077 1.00 53.21 N ATOM 230 CA LYS A 15 12.005 -5.383 7.969 1.00 12.05 C ATOM 231 C LYS A 15 11.570 -5.082 9.400 1.00 62.32 C ATOM 232 O LYS A 15 12.310 -4.465 10.167 1.00 3.11 O ATOM 233 CB LYS A 15 12.994 -4.319 7.491 1.00 63.52 C ATOM 234 CG LYS A 15 14.428 -4.590 7.913 1.00 71.43 C ATOM 235 CD LYS A 15 15.337 -3.416 7.585 1.00 22.12 C ATOM 236 CE LYS A 15 16.578 -3.409 8.465 1.00 12.12 C ATOM 237 NZ LYS A 15 16.239 -3.193 9.899 1.00 4.21 N ATOM 0 H LYS A 15 10.693 -6.350 6.650 1.00 53.21 H new ATOM 0 HA LYS A 15 12.493 -6.357 7.953 1.00 12.05 H new ATOM 0 HB2 LYS A 15 12.950 -4.256 6.404 1.00 63.52 H new ATOM 0 HB3 LYS A 15 12.687 -3.348 7.880 1.00 63.52 H new ATOM 0 HG2 LYS A 15 14.462 -4.789 8.984 1.00 71.43 H new ATOM 0 HG3 LYS A 15 14.793 -5.486 7.410 1.00 71.43 H new ATOM 0 HD2 LYS A 15 15.633 -3.465 6.537 1.00 22.12 H new ATOM 0 HD3 LYS A 15 14.790 -2.483 7.718 1.00 22.12 H new ATOM 0 HE2 LYS A 15 17.107 -4.356 8.355 1.00 12.12 H new ATOM 0 HE3 LYS A 15 17.257 -2.625 8.130 1.00 12.12 H new ATOM 0 HZ1 LYS A 15 17.057 -2.780 10.391 1.00 4.21 H new ATOM 0 HZ2 LYS A 15 15.429 -2.545 9.970 1.00 4.21 H new ATOM 0 HZ3 LYS A 15 15.994 -4.103 10.339 1.00 4.21 H new ATOM 247 N LYS A 16 10.368 -5.524 9.754 1.00 51.15 N ATOM 248 CA LYS A 16 9.837 -5.305 11.094 1.00 31.13 C ATOM 249 C LYS A 16 9.869 -3.824 11.457 1.00 52.54 C ATOM 250 O LYS A 16 10.534 -3.423 12.413 1.00 12.32 O ATOM 251 CB LYS A 16 10.636 -6.110 12.121 1.00 63.32 C ATOM 252 CG LYS A 16 10.924 -7.536 11.685 1.00 62.32 C ATOM 253 CD LYS A 16 11.806 -8.259 12.688 1.00 60.34 C ATOM 254 CE LYS A 16 11.691 -9.769 12.546 1.00 52.15 C ATOM 255 NZ LYS A 16 12.953 -10.461 12.932 1.00 13.52 N ATOM 0 H LYS A 16 9.743 -6.036 9.131 1.00 51.15 H new ATOM 0 HA LYS A 16 8.800 -5.642 11.105 1.00 31.13 H new ATOM 0 HB2 LYS A 16 11.580 -5.601 12.315 1.00 63.32 H new ATOM 0 HB3 LYS A 16 10.086 -6.131 13.062 1.00 63.32 H new ATOM 0 HG2 LYS A 16 9.986 -8.078 11.568 1.00 62.32 H new ATOM 0 HG3 LYS A 16 11.412 -7.528 10.710 1.00 62.32 H new ATOM 0 HD2 LYS A 16 12.844 -7.957 12.545 1.00 60.34 H new ATOM 0 HD3 LYS A 16 11.525 -7.965 13.699 1.00 60.34 H new ATOM 0 HE2 LYS A 16 10.873 -10.131 13.169 1.00 52.15 H new ATOM 0 HE3 LYS A 16 11.441 -10.019 11.515 1.00 52.15 H new ATOM 0 HZ1 LYS A 16 12.834 -11.488 12.821 1.00 13.52 H new ATOM 0 HZ2 LYS A 16 13.729 -10.135 12.321 1.00 13.52 H new ATOM 0 HZ3 LYS A 16 13.179 -10.244 13.924 1.00 13.52 H new ATOM 265 N LYS A 17 9.145 -3.016 10.690 1.00 74.23 N ATOM 266 CA LYS A 17 9.089 -1.579 10.932 1.00 23.14 C ATOM 267 C LYS A 17 7.924 -0.946 10.176 1.00 53.41 C ATOM 268 O LYS A 17 7.882 -0.975 8.947 1.00 45.13 O ATOM 269 CB LYS A 17 10.403 -0.918 10.511 1.00 73.13 C ATOM 270 CG LYS A 17 10.659 0.414 11.194 1.00 35.43 C ATOM 271 CD LYS A 17 10.039 1.566 10.420 1.00 13.11 C ATOM 272 CE LYS A 17 10.809 1.855 9.139 1.00 52.50 C ATOM 273 NZ LYS A 17 10.230 3.006 8.392 1.00 11.04 N ATOM 0 H LYS A 17 8.589 -3.332 9.895 1.00 74.23 H new ATOM 0 HA LYS A 17 8.936 -1.421 12.000 1.00 23.14 H new ATOM 0 HB2 LYS A 17 11.228 -1.595 10.733 1.00 73.13 H new ATOM 0 HB3 LYS A 17 10.395 -0.768 9.431 1.00 73.13 H new ATOM 0 HG2 LYS A 17 10.249 0.391 12.204 1.00 35.43 H new ATOM 0 HG3 LYS A 17 11.733 0.575 11.289 1.00 35.43 H new ATOM 0 HD2 LYS A 17 9.003 1.327 10.177 1.00 13.11 H new ATOM 0 HD3 LYS A 17 10.022 2.459 11.045 1.00 13.11 H new ATOM 0 HE2 LYS A 17 11.851 2.066 9.381 1.00 52.50 H new ATOM 0 HE3 LYS A 17 10.803 0.969 8.504 1.00 52.50 H new ATOM 0 HZ1 LYS A 17 10.782 3.171 7.526 1.00 11.04 H new ATOM 0 HZ2 LYS A 17 9.244 2.795 8.139 1.00 11.04 H new ATOM 0 HZ3 LYS A 17 10.259 3.857 8.989 1.00 11.04 H new ATOM 283 N GLU A 18 6.983 -0.373 10.921 1.00 73.43 N ATOM 284 CA GLU A 18 5.820 0.268 10.319 1.00 33.03 C ATOM 285 C GLU A 18 5.808 1.764 10.618 1.00 21.33 C ATOM 286 O GLU A 18 6.203 2.195 11.700 1.00 42.42 O ATOM 287 CB GLU A 18 4.532 -0.377 10.835 1.00 11.22 C ATOM 288 CG GLU A 18 3.272 0.363 10.419 1.00 12.22 C ATOM 289 CD GLU A 18 2.883 1.452 11.400 1.00 45.44 C ATOM 290 OE1 GLU A 18 3.630 1.665 12.378 1.00 65.44 O ATOM 291 OE2 GLU A 18 1.831 2.090 11.191 1.00 14.44 O ATOM 0 H GLU A 18 7.004 -0.340 11.940 1.00 73.43 H new ATOM 0 HA GLU A 18 5.879 0.132 9.239 1.00 33.03 H new ATOM 0 HB2 GLU A 18 4.478 -1.403 10.470 1.00 11.22 H new ATOM 0 HB3 GLU A 18 4.571 -0.427 11.923 1.00 11.22 H new ATOM 0 HG2 GLU A 18 3.423 0.804 9.434 1.00 12.22 H new ATOM 0 HG3 GLU A 18 2.451 -0.348 10.327 1.00 12.22 H new ATOM 296 N GLU A 19 5.351 2.551 9.649 1.00 32.12 N ATOM 297 CA GLU A 19 5.288 4.000 9.808 1.00 74.44 C ATOM 298 C GLU A 19 4.233 4.603 8.885 1.00 51.13 C ATOM 299 O GLU A 19 3.789 3.967 7.929 1.00 70.11 O ATOM 300 CB GLU A 19 6.654 4.626 9.517 1.00 1.11 C ATOM 301 CG GLU A 19 6.877 5.954 10.221 1.00 13.41 C ATOM 302 CD GLU A 19 8.290 6.476 10.049 1.00 31.12 C ATOM 303 OE1 GLU A 19 8.884 6.239 8.977 1.00 64.31 O ATOM 304 OE2 GLU A 19 8.801 7.123 10.987 1.00 30.34 O ATOM 0 H GLU A 19 5.019 2.210 8.747 1.00 32.12 H new ATOM 0 HA GLU A 19 5.009 4.216 10.839 1.00 74.44 H new ATOM 0 HB2 GLU A 19 7.436 3.929 9.819 1.00 1.11 H new ATOM 0 HB3 GLU A 19 6.755 4.773 8.442 1.00 1.11 H new ATOM 0 HG2 GLU A 19 6.172 6.689 9.833 1.00 13.41 H new ATOM 0 HG3 GLU A 19 6.664 5.838 11.284 1.00 13.41 H new ATOM 309 N THR A 20 3.835 5.838 9.179 1.00 5.12 N ATOM 310 CA THR A 20 2.831 6.527 8.379 1.00 3.01 C ATOM 311 C THR A 20 3.479 7.524 7.425 1.00 14.34 C ATOM 312 O THR A 20 4.653 7.864 7.569 1.00 41.11 O ATOM 313 CB THR A 20 1.817 7.269 9.268 1.00 53.50 C ATOM 314 OG1 THR A 20 2.505 8.119 10.193 1.00 30.43 O ATOM 315 CG2 THR A 20 0.943 6.286 10.031 1.00 64.25 C ATOM 0 H THR A 20 4.193 6.380 9.965 1.00 5.12 H new ATOM 0 HA THR A 20 2.307 5.764 7.803 1.00 3.01 H new ATOM 0 HB THR A 20 1.179 7.874 8.624 1.00 53.50 H new ATOM 0 HG1 THR A 20 1.898 8.823 10.504 1.00 30.43 H new ATOM 0 HG21 THR A 20 0.235 6.835 10.652 1.00 64.25 H new ATOM 0 HG22 THR A 20 0.397 5.660 9.325 1.00 64.25 H new ATOM 0 HG23 THR A 20 1.569 5.657 10.664 1.00 64.25 H new ATOM 323 N PHE A 21 2.706 7.991 6.450 1.00 14.44 N ATOM 324 CA PHE A 21 3.205 8.950 5.472 1.00 33.24 C ATOM 325 C PHE A 21 2.250 10.132 5.332 1.00 10.31 C ATOM 326 O PHE A 21 1.032 9.972 5.407 1.00 12.43 O ATOM 327 CB PHE A 21 3.397 8.272 4.114 1.00 20.42 C ATOM 328 CG PHE A 21 4.767 7.688 3.924 1.00 72.41 C ATOM 329 CD1 PHE A 21 5.866 8.512 3.739 1.00 40.20 C ATOM 330 CD2 PHE A 21 4.957 6.316 3.928 1.00 42.51 C ATOM 331 CE1 PHE A 21 7.129 7.977 3.564 1.00 74.10 C ATOM 332 CE2 PHE A 21 6.217 5.776 3.754 1.00 13.52 C ATOM 333 CZ PHE A 21 7.304 6.608 3.571 1.00 61.24 C ATOM 0 H PHE A 21 1.732 7.721 6.316 1.00 14.44 H new ATOM 0 HA PHE A 21 4.167 9.323 5.824 1.00 33.24 H new ATOM 0 HB2 PHE A 21 2.655 7.481 4.004 1.00 20.42 H new ATOM 0 HB3 PHE A 21 3.208 8.999 3.324 1.00 20.42 H new ATOM 0 HD1 PHE A 21 5.734 9.584 3.731 1.00 40.20 H new ATOM 0 HD2 PHE A 21 4.110 5.660 4.069 1.00 42.51 H new ATOM 0 HE1 PHE A 21 7.978 8.630 3.422 1.00 74.10 H new ATOM 0 HE2 PHE A 21 6.352 4.704 3.761 1.00 13.52 H new ATOM 0 HZ PHE A 21 8.289 6.188 3.434 1.00 61.24 H new ATOM 342 N ASN A 22 2.812 11.320 5.130 1.00 64.11 N ATOM 343 CA ASN A 22 2.011 12.529 4.982 1.00 61.33 C ATOM 344 C ASN A 22 2.383 13.274 3.702 1.00 51.11 C ATOM 345 O ASN A 22 3.523 13.210 3.244 1.00 60.12 O ATOM 346 CB ASN A 22 2.203 13.445 6.192 1.00 61.41 C ATOM 347 CG ASN A 22 1.574 12.879 7.450 1.00 42.34 C ATOM 348 OD1 ASN A 22 1.459 11.663 7.607 1.00 2.24 O ATOM 349 ND2 ASN A 22 1.164 13.760 8.355 1.00 34.41 N ATOM 0 H ASN A 22 3.819 11.471 5.065 1.00 64.11 H new ATOM 0 HA ASN A 22 0.963 12.235 4.920 1.00 61.33 H new ATOM 0 HB2 ASN A 22 3.268 13.602 6.360 1.00 61.41 H new ATOM 0 HB3 ASN A 22 1.767 14.421 5.978 1.00 61.41 H new ATOM 0 HD21 ASN A 22 0.734 13.438 9.222 1.00 34.41 H new ATOM 0 HD22 ASN A 22 1.279 14.759 8.183 1.00 34.41 H new ATOM 355 N GLY A 23 1.413 13.981 3.132 1.00 4.42 N ATOM 356 CA GLY A 23 1.657 14.728 1.913 1.00 22.53 C ATOM 357 C GLY A 23 0.464 14.720 0.978 1.00 24.13 C ATOM 358 O GLY A 23 -0.185 15.746 0.780 1.00 34.44 O ATOM 0 H GLY A 23 0.462 14.050 3.493 1.00 4.42 H new ATOM 0 HA2 GLY A 23 1.909 15.758 2.166 1.00 22.53 H new ATOM 0 HA3 GLY A 23 2.520 14.306 1.399 1.00 22.53 H new ATOM 362 N ILE A 24 0.175 13.558 0.401 1.00 52.41 N ATOM 363 CA ILE A 24 -0.948 13.420 -0.518 1.00 35.22 C ATOM 364 C ILE A 24 -2.031 12.520 0.067 1.00 51.01 C ATOM 365 O ILE A 24 -1.741 11.442 0.585 1.00 5.43 O ATOM 366 CB ILE A 24 -0.497 12.848 -1.875 1.00 21.14 C ATOM 367 CG1 ILE A 24 0.548 13.762 -2.517 1.00 22.52 C ATOM 368 CG2 ILE A 24 -1.694 12.672 -2.799 1.00 62.44 C ATOM 369 CD1 ILE A 24 0.015 15.132 -2.876 1.00 2.22 C ATOM 0 H ILE A 24 0.703 12.699 0.554 1.00 52.41 H new ATOM 0 HA ILE A 24 -1.355 14.419 -0.671 1.00 35.22 H new ATOM 0 HB ILE A 24 -0.044 11.871 -1.708 1.00 21.14 H new ATOM 0 HG12 ILE A 24 1.389 13.876 -1.832 1.00 22.52 H new ATOM 0 HG13 ILE A 24 0.933 13.284 -3.418 1.00 22.52 H new ATOM 0 HG21 ILE A 24 -1.360 12.267 -3.754 1.00 62.44 H new ATOM 0 HG22 ILE A 24 -2.407 11.985 -2.343 1.00 62.44 H new ATOM 0 HG23 ILE A 24 -2.173 13.637 -2.962 1.00 62.44 H new ATOM 0 HD11 ILE A 24 0.811 15.725 -3.326 1.00 2.22 H new ATOM 0 HD12 ILE A 24 -0.806 15.029 -3.585 1.00 2.22 H new ATOM 0 HD13 ILE A 24 -0.344 15.630 -1.975 1.00 2.22 H new ATOM 380 N SER A 25 -3.278 12.969 -0.022 1.00 25.20 N ATOM 381 CA SER A 25 -4.405 12.205 0.500 1.00 62.34 C ATOM 382 C SER A 25 -5.042 11.358 -0.597 1.00 25.51 C ATOM 383 O SER A 25 -6.225 11.506 -0.904 1.00 22.24 O ATOM 384 CB SER A 25 -5.449 13.144 1.107 1.00 34.23 C ATOM 385 OG SER A 25 -5.108 13.496 2.436 1.00 40.31 O ATOM 0 H SER A 25 -3.534 13.858 -0.451 1.00 25.20 H new ATOM 0 HA SER A 25 -4.031 11.539 1.278 1.00 62.34 H new ATOM 0 HB2 SER A 25 -5.530 14.045 0.498 1.00 34.23 H new ATOM 0 HB3 SER A 25 -6.427 12.662 1.095 1.00 34.23 H new ATOM 0 HG SER A 25 -5.417 12.797 3.049 1.00 40.31 H new ATOM 390 N LYS A 26 -4.250 10.469 -1.186 1.00 44.04 N ATOM 391 CA LYS A 26 -4.734 9.596 -2.248 1.00 62.32 C ATOM 392 C LYS A 26 -3.981 8.269 -2.249 1.00 10.12 C ATOM 393 O LYS A 26 -2.832 8.197 -1.811 1.00 1.53 O ATOM 394 CB LYS A 26 -4.581 10.281 -3.608 1.00 35.43 C ATOM 395 CG LYS A 26 -5.547 9.766 -4.661 1.00 23.34 C ATOM 396 CD LYS A 26 -5.808 10.808 -5.736 1.00 63.21 C ATOM 397 CE LYS A 26 -6.837 11.831 -5.282 1.00 63.40 C ATOM 398 NZ LYS A 26 -7.502 12.498 -6.437 1.00 43.41 N ATOM 0 H LYS A 26 -3.268 10.334 -0.945 1.00 44.04 H new ATOM 0 HA LYS A 26 -5.789 9.394 -2.065 1.00 62.32 H new ATOM 0 HB2 LYS A 26 -4.730 11.354 -3.484 1.00 35.43 H new ATOM 0 HB3 LYS A 26 -3.560 10.140 -3.964 1.00 35.43 H new ATOM 0 HG2 LYS A 26 -5.141 8.864 -5.118 1.00 23.34 H new ATOM 0 HG3 LYS A 26 -6.488 9.487 -4.187 1.00 23.34 H new ATOM 0 HD2 LYS A 26 -4.876 11.315 -5.987 1.00 63.21 H new ATOM 0 HD3 LYS A 26 -6.158 10.316 -6.644 1.00 63.21 H new ATOM 0 HE2 LYS A 26 -7.589 11.340 -4.664 1.00 63.40 H new ATOM 0 HE3 LYS A 26 -6.352 12.582 -4.659 1.00 63.40 H new ATOM 0 HZ1 LYS A 26 -8.196 13.188 -6.086 1.00 43.41 H new ATOM 0 HZ2 LYS A 26 -6.788 12.987 -7.013 1.00 43.41 H new ATOM 0 HZ3 LYS A 26 -7.986 11.784 -7.018 1.00 43.41 H new ATOM 408 N ILE A 27 -4.635 7.223 -2.743 1.00 51.02 N ATOM 409 CA ILE A 27 -4.025 5.900 -2.802 1.00 53.11 C ATOM 410 C ILE A 27 -2.910 5.855 -3.841 1.00 44.11 C ATOM 411 O ILE A 27 -1.979 5.058 -3.733 1.00 43.15 O ATOM 412 CB ILE A 27 -5.066 4.815 -3.134 1.00 13.34 C ATOM 413 CG1 ILE A 27 -6.084 4.690 -1.998 1.00 23.41 C ATOM 414 CG2 ILE A 27 -4.379 3.482 -3.388 1.00 44.21 C ATOM 415 CD1 ILE A 27 -5.483 4.192 -0.702 1.00 32.25 C ATOM 0 H ILE A 27 -5.587 7.266 -3.108 1.00 51.02 H new ATOM 0 HA ILE A 27 -3.607 5.700 -1.815 1.00 53.11 H new ATOM 0 HB ILE A 27 -5.596 5.106 -4.041 1.00 13.34 H new ATOM 0 HG12 ILE A 27 -6.545 5.662 -1.825 1.00 23.41 H new ATOM 0 HG13 ILE A 27 -6.879 4.010 -2.306 1.00 23.41 H new ATOM 0 HG21 ILE A 27 -5.128 2.725 -3.621 1.00 44.21 H new ATOM 0 HG22 ILE A 27 -3.690 3.582 -4.227 1.00 44.21 H new ATOM 0 HG23 ILE A 27 -3.826 3.182 -2.498 1.00 44.21 H new ATOM 0 HD11 ILE A 27 -6.261 4.128 0.059 1.00 32.25 H new ATOM 0 HD12 ILE A 27 -5.046 3.206 -0.859 1.00 32.25 H new ATOM 0 HD13 ILE A 27 -4.708 4.883 -0.371 1.00 32.25 H new ATOM 426 N SER A 28 -3.012 6.716 -4.849 1.00 51.43 N ATOM 427 CA SER A 28 -2.013 6.774 -5.909 1.00 43.14 C ATOM 428 C SER A 28 -0.630 7.075 -5.339 1.00 14.34 C ATOM 429 O SER A 28 0.326 6.340 -5.580 1.00 34.25 O ATOM 430 CB SER A 28 -2.394 7.837 -6.941 1.00 24.43 C ATOM 431 OG SER A 28 -1.857 7.526 -8.216 1.00 53.42 O ATOM 0 H SER A 28 -3.777 7.383 -4.953 1.00 51.43 H new ATOM 0 HA SER A 28 -1.981 5.799 -6.396 1.00 43.14 H new ATOM 0 HB2 SER A 28 -3.479 7.911 -7.008 1.00 24.43 H new ATOM 0 HB3 SER A 28 -2.028 8.811 -6.617 1.00 24.43 H new ATOM 0 HG SER A 28 -2.116 8.220 -8.858 1.00 53.42 H new ATOM 436 N GLU A 29 -0.535 8.163 -4.580 1.00 42.44 N ATOM 437 CA GLU A 29 0.730 8.563 -3.974 1.00 33.44 C ATOM 438 C GLU A 29 1.076 7.664 -2.792 1.00 64.21 C ATOM 439 O GLU A 29 2.240 7.325 -2.574 1.00 73.02 O ATOM 440 CB GLU A 29 0.663 10.022 -3.517 1.00 20.51 C ATOM 441 CG GLU A 29 0.789 11.022 -4.654 1.00 25.03 C ATOM 442 CD GLU A 29 2.184 11.608 -4.763 1.00 1.14 C ATOM 443 OE1 GLU A 29 2.802 11.869 -3.711 1.00 11.53 O ATOM 444 OE2 GLU A 29 2.656 11.807 -5.903 1.00 4.24 O ATOM 0 H GLU A 29 -1.318 8.782 -4.370 1.00 42.44 H new ATOM 0 HA GLU A 29 1.512 8.461 -4.726 1.00 33.44 H new ATOM 0 HB2 GLU A 29 -0.282 10.189 -3.000 1.00 20.51 H new ATOM 0 HB3 GLU A 29 1.458 10.204 -2.794 1.00 20.51 H new ATOM 0 HG2 GLU A 29 0.530 10.533 -5.593 1.00 25.03 H new ATOM 0 HG3 GLU A 29 0.071 11.828 -4.505 1.00 25.03 H new ATOM 449 N LEU A 30 0.057 7.280 -2.030 1.00 64.12 N ATOM 450 CA LEU A 30 0.253 6.419 -0.868 1.00 20.00 C ATOM 451 C LEU A 30 0.925 5.110 -1.268 1.00 40.13 C ATOM 452 O LEU A 30 1.923 4.704 -0.668 1.00 2.23 O ATOM 453 CB LEU A 30 -1.089 6.131 -0.191 1.00 64.41 C ATOM 454 CG LEU A 30 -1.133 4.898 0.713 1.00 53.10 C ATOM 455 CD1 LEU A 30 0.038 4.905 1.683 1.00 11.01 C ATOM 456 CD2 LEU A 30 -2.452 4.838 1.468 1.00 31.25 C ATOM 0 H LEU A 30 -0.912 7.551 -2.196 1.00 64.12 H new ATOM 0 HA LEU A 30 0.904 6.940 -0.165 1.00 20.00 H new ATOM 0 HB2 LEU A 30 -1.369 7.002 0.402 1.00 64.41 H new ATOM 0 HB3 LEU A 30 -1.847 6.016 -0.966 1.00 64.41 H new ATOM 0 HG LEU A 30 -1.054 4.009 0.087 1.00 53.10 H new ATOM 0 HD11 LEU A 30 -0.010 4.020 2.318 1.00 11.01 H new ATOM 0 HD12 LEU A 30 0.974 4.900 1.124 1.00 11.01 H new ATOM 0 HD13 LEU A 30 -0.009 5.800 2.304 1.00 11.01 H new ATOM 0 HD21 LEU A 30 -2.466 3.955 2.106 1.00 31.25 H new ATOM 0 HD22 LEU A 30 -2.560 5.732 2.083 1.00 31.25 H new ATOM 0 HD23 LEU A 30 -3.276 4.785 0.757 1.00 31.25 H new ATOM 467 N LEU A 31 0.376 4.454 -2.283 1.00 62.55 N ATOM 468 CA LEU A 31 0.925 3.191 -2.765 1.00 44.21 C ATOM 469 C LEU A 31 2.257 3.411 -3.474 1.00 20.31 C ATOM 470 O LEU A 31 3.227 2.694 -3.229 1.00 52.23 O ATOM 471 CB LEU A 31 -0.064 2.511 -3.713 1.00 33.44 C ATOM 472 CG LEU A 31 -1.275 1.846 -3.058 1.00 53.30 C ATOM 473 CD1 LEU A 31 -2.168 1.206 -4.109 1.00 55.10 C ATOM 474 CD2 LEU A 31 -0.825 0.811 -2.035 1.00 23.42 C ATOM 0 H LEU A 31 -0.449 4.775 -2.789 1.00 62.55 H new ATOM 0 HA LEU A 31 1.096 2.545 -1.903 1.00 44.21 H new ATOM 0 HB2 LEU A 31 -0.424 3.254 -4.424 1.00 33.44 H new ATOM 0 HB3 LEU A 31 0.474 1.756 -4.286 1.00 33.44 H new ATOM 0 HG LEU A 31 -1.852 2.613 -2.541 1.00 53.30 H new ATOM 0 HD11 LEU A 31 -3.024 0.738 -3.623 1.00 55.10 H new ATOM 0 HD12 LEU A 31 -2.518 1.970 -4.803 1.00 55.10 H new ATOM 0 HD13 LEU A 31 -1.603 0.450 -4.655 1.00 55.10 H new ATOM 0 HD21 LEU A 31 -1.699 0.347 -1.578 1.00 23.42 H new ATOM 0 HD22 LEU A 31 -0.226 0.047 -2.530 1.00 23.42 H new ATOM 0 HD23 LEU A 31 -0.228 1.297 -1.264 1.00 23.42 H new ATOM 485 N GLU A 32 2.297 4.408 -4.352 1.00 60.30 N ATOM 486 CA GLU A 32 3.512 4.722 -5.095 1.00 33.24 C ATOM 487 C GLU A 32 4.694 4.913 -4.150 1.00 64.44 C ATOM 488 O GLU A 32 5.832 4.590 -4.490 1.00 54.24 O ATOM 489 CB GLU A 32 3.309 5.985 -5.937 1.00 45.14 C ATOM 490 CG GLU A 32 2.812 5.705 -7.345 1.00 62.02 C ATOM 491 CD GLU A 32 2.168 6.917 -7.988 1.00 71.21 C ATOM 492 OE1 GLU A 32 1.856 7.881 -7.259 1.00 44.51 O ATOM 493 OE2 GLU A 32 1.978 6.902 -9.223 1.00 1.41 O ATOM 0 H GLU A 32 1.503 5.012 -4.566 1.00 60.30 H new ATOM 0 HA GLU A 32 3.730 3.883 -5.756 1.00 33.24 H new ATOM 0 HB2 GLU A 32 2.596 6.637 -5.432 1.00 45.14 H new ATOM 0 HB3 GLU A 32 4.252 6.528 -5.995 1.00 45.14 H new ATOM 0 HG2 GLU A 32 3.647 5.372 -7.961 1.00 62.02 H new ATOM 0 HG3 GLU A 32 2.091 4.888 -7.316 1.00 62.02 H new ATOM 498 N ARG A 33 4.415 5.439 -2.962 1.00 62.25 N ATOM 499 CA ARG A 33 5.456 5.673 -1.967 1.00 11.33 C ATOM 500 C ARG A 33 5.821 4.379 -1.247 1.00 72.53 C ATOM 501 O ARG A 33 6.973 4.175 -0.861 1.00 75.45 O ATOM 502 CB ARG A 33 4.992 6.721 -0.952 1.00 62.52 C ATOM 503 CG ARG A 33 6.136 7.430 -0.245 1.00 71.23 C ATOM 504 CD ARG A 33 5.716 8.803 0.254 1.00 14.32 C ATOM 505 NE ARG A 33 5.564 9.760 -0.840 1.00 13.21 N ATOM 506 CZ ARG A 33 5.046 10.973 -0.688 1.00 13.34 C ATOM 507 NH1 ARG A 33 4.631 11.377 0.506 1.00 64.45 N ATOM 508 NH2 ARG A 33 4.941 11.787 -1.731 1.00 15.40 N ATOM 0 H ARG A 33 3.478 5.711 -2.665 1.00 62.25 H new ATOM 0 HA ARG A 33 6.342 6.043 -2.483 1.00 11.33 H new ATOM 0 HB2 ARG A 33 4.376 7.462 -1.462 1.00 62.52 H new ATOM 0 HB3 ARG A 33 4.359 6.239 -0.207 1.00 62.52 H new ATOM 0 HG2 ARG A 33 6.477 6.825 0.595 1.00 71.23 H new ATOM 0 HG3 ARG A 33 6.980 7.532 -0.928 1.00 71.23 H new ATOM 0 HD2 ARG A 33 4.774 8.719 0.796 1.00 14.32 H new ATOM 0 HD3 ARG A 33 6.458 9.175 0.960 1.00 14.32 H new ATOM 0 HE ARG A 33 5.873 9.481 -1.771 1.00 13.21 H new ATOM 0 HH11 ARG A 33 4.709 10.755 1.311 1.00 64.45 H new ATOM 0 HH12 ARG A 33 4.234 12.310 0.619 1.00 64.45 H new ATOM 0 HH21 ARG A 33 5.258 11.481 -2.651 1.00 15.40 H new ATOM 0 HH22 ARG A 33 4.543 12.719 -1.613 1.00 15.40 H new ATOM 519 N LEU A 34 4.836 3.507 -1.070 1.00 13.54 N ATOM 520 CA LEU A 34 5.053 2.232 -0.396 1.00 14.44 C ATOM 521 C LEU A 34 5.832 1.271 -1.287 1.00 22.51 C ATOM 522 O LEU A 34 6.851 0.714 -0.879 1.00 50.22 O ATOM 523 CB LEU A 34 3.714 1.607 0.000 1.00 55.41 C ATOM 524 CG LEU A 34 2.978 2.277 1.161 1.00 5.21 C ATOM 525 CD1 LEU A 34 1.615 1.636 1.370 1.00 5.03 C ATOM 526 CD2 LEU A 34 3.807 2.199 2.434 1.00 1.40 C ATOM 0 H LEU A 34 3.878 3.659 -1.384 1.00 13.54 H new ATOM 0 HA LEU A 34 5.639 2.420 0.504 1.00 14.44 H new ATOM 0 HB2 LEU A 34 3.060 1.615 -0.872 1.00 55.41 H new ATOM 0 HB3 LEU A 34 3.886 0.562 0.259 1.00 55.41 H new ATOM 0 HG LEU A 34 2.828 3.328 0.913 1.00 5.21 H new ATOM 0 HD11 LEU A 34 1.106 2.126 2.200 1.00 5.03 H new ATOM 0 HD12 LEU A 34 1.019 1.745 0.464 1.00 5.03 H new ATOM 0 HD13 LEU A 34 1.742 0.577 1.596 1.00 5.03 H new ATOM 0 HD21 LEU A 34 3.268 2.681 3.250 1.00 1.40 H new ATOM 0 HD22 LEU A 34 3.989 1.154 2.686 1.00 1.40 H new ATOM 0 HD23 LEU A 34 4.759 2.706 2.280 1.00 1.40 H new ATOM 537 N LYS A 35 5.347 1.082 -2.511 1.00 41.14 N ATOM 538 CA LYS A 35 5.998 0.191 -3.464 1.00 55.02 C ATOM 539 C LYS A 35 7.480 0.529 -3.599 1.00 51.20 C ATOM 540 O LYS A 35 8.332 -0.359 -3.600 1.00 51.02 O ATOM 541 CB LYS A 35 5.316 0.285 -4.830 1.00 1.31 C ATOM 542 CG LYS A 35 5.019 1.709 -5.264 1.00 15.34 C ATOM 543 CD LYS A 35 5.773 2.076 -6.531 1.00 60.13 C ATOM 544 CE LYS A 35 5.033 1.611 -7.775 1.00 51.12 C ATOM 545 NZ LYS A 35 3.855 2.471 -8.073 1.00 23.23 N ATOM 0 H LYS A 35 4.505 1.535 -2.866 1.00 41.14 H new ATOM 0 HA LYS A 35 5.908 -0.829 -3.090 1.00 55.02 H new ATOM 0 HB2 LYS A 35 5.952 -0.189 -5.578 1.00 1.31 H new ATOM 0 HB3 LYS A 35 4.384 -0.279 -4.801 1.00 1.31 H new ATOM 0 HG2 LYS A 35 3.948 1.823 -5.431 1.00 15.34 H new ATOM 0 HG3 LYS A 35 5.292 2.398 -4.465 1.00 15.34 H new ATOM 0 HD2 LYS A 35 5.913 3.156 -6.572 1.00 60.13 H new ATOM 0 HD3 LYS A 35 6.766 1.627 -6.508 1.00 60.13 H new ATOM 0 HE2 LYS A 35 5.713 1.619 -8.627 1.00 51.12 H new ATOM 0 HE3 LYS A 35 4.705 0.580 -7.639 1.00 51.12 H new ATOM 0 HZ1 LYS A 35 3.367 2.111 -8.918 1.00 23.23 H new ATOM 0 HZ2 LYS A 35 3.201 2.457 -7.264 1.00 23.23 H new ATOM 0 HZ3 LYS A 35 4.172 3.446 -8.245 1.00 23.23 H new ATOM 555 N VAL A 36 7.780 1.819 -3.712 1.00 53.11 N ATOM 556 CA VAL A 36 9.159 2.274 -3.846 1.00 51.01 C ATOM 557 C VAL A 36 9.891 2.208 -2.510 1.00 21.42 C ATOM 558 O VAL A 36 11.081 1.900 -2.458 1.00 61.32 O ATOM 559 CB VAL A 36 9.224 3.716 -4.384 1.00 70.34 C ATOM 560 CG1 VAL A 36 10.616 4.298 -4.186 1.00 2.41 C ATOM 561 CG2 VAL A 36 8.825 3.755 -5.851 1.00 33.01 C ATOM 0 H VAL A 36 7.087 2.567 -3.713 1.00 53.11 H new ATOM 0 HA VAL A 36 9.646 1.607 -4.557 1.00 51.01 H new ATOM 0 HB VAL A 36 8.518 4.327 -3.822 1.00 70.34 H new ATOM 0 HG11 VAL A 36 10.643 5.317 -4.572 1.00 2.41 H new ATOM 0 HG12 VAL A 36 10.859 4.306 -3.124 1.00 2.41 H new ATOM 0 HG13 VAL A 36 11.345 3.688 -4.720 1.00 2.41 H new ATOM 0 HG21 VAL A 36 8.876 4.781 -6.215 1.00 33.01 H new ATOM 0 HG22 VAL A 36 9.505 3.130 -6.430 1.00 33.01 H new ATOM 0 HG23 VAL A 36 7.807 3.382 -5.961 1.00 33.01 H new ATOM 571 N GLU A 37 9.171 2.500 -1.431 1.00 22.42 N ATOM 572 CA GLU A 37 9.753 2.474 -0.094 1.00 71.41 C ATOM 573 C GLU A 37 10.473 1.153 0.159 1.00 70.24 C ATOM 574 O GLU A 37 11.628 1.135 0.587 1.00 13.24 O ATOM 575 CB GLU A 37 8.668 2.687 0.963 1.00 44.03 C ATOM 576 CG GLU A 37 9.136 2.404 2.381 1.00 22.31 C ATOM 577 CD GLU A 37 8.050 2.644 3.411 1.00 54.41 C ATOM 578 OE1 GLU A 37 6.872 2.358 3.112 1.00 43.35 O ATOM 579 OE2 GLU A 37 8.379 3.119 4.519 1.00 61.53 O ATOM 0 H GLU A 37 8.184 2.757 -1.457 1.00 22.42 H new ATOM 0 HA GLU A 37 10.480 3.283 -0.026 1.00 71.41 H new ATOM 0 HB2 GLU A 37 8.313 3.716 0.905 1.00 44.03 H new ATOM 0 HB3 GLU A 37 7.818 2.043 0.734 1.00 44.03 H new ATOM 0 HG2 GLU A 37 9.474 1.370 2.449 1.00 22.31 H new ATOM 0 HG3 GLU A 37 9.995 3.036 2.609 1.00 22.31 H new ATOM 584 N TYR A 38 9.785 0.049 -0.108 1.00 33.00 N ATOM 585 CA TYR A 38 10.357 -1.276 0.094 1.00 2.12 C ATOM 586 C TYR A 38 11.054 -1.768 -1.171 1.00 34.34 C ATOM 587 O TYR A 38 12.101 -2.410 -1.108 1.00 65.13 O ATOM 588 CB TYR A 38 9.268 -2.268 0.507 1.00 21.40 C ATOM 589 CG TYR A 38 8.665 -1.975 1.862 1.00 31.25 C ATOM 590 CD1 TYR A 38 9.468 -1.628 2.941 1.00 34.41 C ATOM 591 CD2 TYR A 38 7.291 -2.046 2.064 1.00 71.05 C ATOM 592 CE1 TYR A 38 8.922 -1.360 4.182 1.00 21.24 C ATOM 593 CE2 TYR A 38 6.737 -1.779 3.300 1.00 2.21 C ATOM 594 CZ TYR A 38 7.556 -1.436 4.356 1.00 21.44 C ATOM 595 OH TYR A 38 7.007 -1.170 5.590 1.00 22.12 O ATOM 0 H TYR A 38 8.830 0.046 -0.465 1.00 33.00 H new ATOM 0 HA TYR A 38 11.097 -1.206 0.891 1.00 2.12 H new ATOM 0 HB2 TYR A 38 8.477 -2.259 -0.243 1.00 21.40 H new ATOM 0 HB3 TYR A 38 9.688 -3.274 0.515 1.00 21.40 H new ATOM 0 HD1 TYR A 38 10.538 -1.567 2.808 1.00 34.41 H new ATOM 0 HD2 TYR A 38 6.646 -2.315 1.240 1.00 71.05 H new ATOM 0 HE1 TYR A 38 9.561 -1.093 5.010 1.00 21.24 H new ATOM 0 HE2 TYR A 38 5.668 -1.838 3.440 1.00 2.21 H new ATOM 0 HH TYR A 38 6.031 -1.127 5.512 1.00 22.12 H new ATOM 604 N GLY A 39 10.464 -1.458 -2.322 1.00 25.21 N ATOM 605 CA GLY A 39 11.041 -1.875 -3.587 1.00 32.41 C ATOM 606 C GLY A 39 10.085 -2.714 -4.412 1.00 72.44 C ATOM 607 O GLY A 39 8.921 -2.879 -4.048 1.00 20.50 O ATOM 0 H GLY A 39 9.597 -0.926 -2.401 1.00 25.21 H new ATOM 0 HA2 GLY A 39 11.332 -0.993 -4.158 1.00 32.41 H new ATOM 0 HA3 GLY A 39 11.950 -2.446 -3.398 1.00 32.41 H new ATOM 611 N SER A 40 10.577 -3.243 -5.528 1.00 53.11 N ATOM 612 CA SER A 40 9.757 -4.065 -6.410 1.00 14.14 C ATOM 613 C SER A 40 9.277 -5.322 -5.691 1.00 35.32 C ATOM 614 O SER A 40 8.188 -5.828 -5.963 1.00 75.13 O ATOM 615 CB SER A 40 10.546 -4.450 -7.663 1.00 53.21 C ATOM 616 OG SER A 40 10.753 -3.326 -8.500 1.00 32.42 O ATOM 0 H SER A 40 11.539 -3.117 -5.843 1.00 53.11 H new ATOM 0 HA SER A 40 8.885 -3.480 -6.704 1.00 14.14 H new ATOM 0 HB2 SER A 40 11.508 -4.875 -7.375 1.00 53.21 H new ATOM 0 HB3 SER A 40 10.008 -5.222 -8.212 1.00 53.21 H new ATOM 0 HG SER A 40 11.261 -3.598 -9.293 1.00 32.42 H new ATOM 621 N GLU A 41 10.099 -5.821 -4.773 1.00 54.30 N ATOM 622 CA GLU A 41 9.758 -7.019 -4.015 1.00 65.43 C ATOM 623 C GLU A 41 8.372 -6.893 -3.390 1.00 30.34 C ATOM 624 O GLU A 41 7.557 -7.813 -3.469 1.00 32.30 O ATOM 625 CB GLU A 41 10.801 -7.272 -2.924 1.00 45.53 C ATOM 626 CG GLU A 41 11.912 -8.216 -3.349 1.00 64.32 C ATOM 627 CD GLU A 41 12.683 -8.779 -2.171 1.00 61.31 C ATOM 628 OE1 GLU A 41 12.680 -8.137 -1.100 1.00 41.30 O ATOM 629 OE2 GLU A 41 13.291 -9.859 -2.321 1.00 41.54 O ATOM 0 H GLU A 41 11.004 -5.415 -4.537 1.00 54.30 H new ATOM 0 HA GLU A 41 9.750 -7.864 -4.704 1.00 65.43 H new ATOM 0 HB2 GLU A 41 11.240 -6.320 -2.625 1.00 45.53 H new ATOM 0 HB3 GLU A 41 10.303 -7.683 -2.046 1.00 45.53 H new ATOM 0 HG2 GLU A 41 11.485 -9.037 -3.925 1.00 64.32 H new ATOM 0 HG3 GLU A 41 12.600 -7.688 -4.009 1.00 64.32 H new ATOM 634 N PHE A 42 8.111 -5.748 -2.770 1.00 12.21 N ATOM 635 CA PHE A 42 6.825 -5.500 -2.130 1.00 4.33 C ATOM 636 C PHE A 42 5.746 -5.210 -3.170 1.00 72.02 C ATOM 637 O PHE A 42 4.646 -5.758 -3.111 1.00 2.31 O ATOM 638 CB PHE A 42 6.933 -4.329 -1.151 1.00 61.34 C ATOM 639 CG PHE A 42 5.610 -3.887 -0.595 1.00 63.41 C ATOM 640 CD1 PHE A 42 4.847 -4.747 0.178 1.00 55.41 C ATOM 641 CD2 PHE A 42 5.130 -2.612 -0.847 1.00 20.15 C ATOM 642 CE1 PHE A 42 3.629 -4.342 0.691 1.00 31.14 C ATOM 643 CE2 PHE A 42 3.913 -2.202 -0.335 1.00 21.53 C ATOM 644 CZ PHE A 42 3.161 -3.069 0.433 1.00 53.13 C ATOM 0 H PHE A 42 8.774 -4.976 -2.697 1.00 12.21 H new ATOM 0 HA PHE A 42 6.544 -6.398 -1.580 1.00 4.33 H new ATOM 0 HB2 PHE A 42 7.587 -4.614 -0.327 1.00 61.34 H new ATOM 0 HB3 PHE A 42 7.405 -3.486 -1.656 1.00 61.34 H new ATOM 0 HD1 PHE A 42 5.208 -5.744 0.382 1.00 55.41 H new ATOM 0 HD2 PHE A 42 5.713 -1.931 -1.450 1.00 20.15 H new ATOM 0 HE1 PHE A 42 3.044 -5.021 1.293 1.00 31.14 H new ATOM 0 HE2 PHE A 42 3.551 -1.205 -0.535 1.00 21.53 H new ATOM 0 HZ PHE A 42 2.208 -2.752 0.831 1.00 53.13 H new ATOM 653 N THR A 43 6.072 -4.343 -4.123 1.00 10.14 N ATOM 654 CA THR A 43 5.133 -3.977 -5.176 1.00 2.23 C ATOM 655 C THR A 43 4.575 -5.214 -5.870 1.00 4.52 C ATOM 656 O THR A 43 3.371 -5.319 -6.102 1.00 24.03 O ATOM 657 CB THR A 43 5.794 -3.067 -6.228 1.00 31.22 C ATOM 658 OG1 THR A 43 6.842 -2.300 -5.623 1.00 63.44 O ATOM 659 CG2 THR A 43 4.771 -2.130 -6.853 1.00 30.34 C ATOM 0 H THR A 43 6.979 -3.881 -4.187 1.00 10.14 H new ATOM 0 HA THR A 43 4.318 -3.434 -4.697 1.00 2.23 H new ATOM 0 HB THR A 43 6.212 -3.699 -7.012 1.00 31.22 H new ATOM 0 HG1 THR A 43 7.361 -1.847 -6.321 1.00 63.44 H new ATOM 0 HG21 THR A 43 5.261 -1.497 -7.593 1.00 30.34 H new ATOM 0 HG22 THR A 43 3.989 -2.715 -7.337 1.00 30.34 H new ATOM 0 HG23 THR A 43 4.328 -1.505 -6.077 1.00 30.34 H new ATOM 667 N LYS A 44 5.458 -6.150 -6.200 1.00 43.15 N ATOM 668 CA LYS A 44 5.055 -7.383 -6.866 1.00 41.31 C ATOM 669 C LYS A 44 4.356 -8.325 -5.891 1.00 14.11 C ATOM 670 O LYS A 44 3.536 -9.150 -6.292 1.00 51.21 O ATOM 671 CB LYS A 44 6.273 -8.078 -7.478 1.00 31.33 C ATOM 672 CG LYS A 44 7.050 -7.203 -8.447 1.00 51.32 C ATOM 673 CD LYS A 44 6.582 -7.406 -9.879 1.00 15.12 C ATOM 674 CE LYS A 44 7.017 -6.257 -10.775 1.00 73.53 C ATOM 675 NZ LYS A 44 6.133 -5.068 -10.622 1.00 21.02 N ATOM 0 H LYS A 44 6.459 -6.078 -6.017 1.00 43.15 H new ATOM 0 HA LYS A 44 4.354 -7.125 -7.660 1.00 41.31 H new ATOM 0 HB2 LYS A 44 6.939 -8.398 -6.677 1.00 31.33 H new ATOM 0 HB3 LYS A 44 5.944 -8.978 -7.998 1.00 31.33 H new ATOM 0 HG2 LYS A 44 6.931 -6.156 -8.169 1.00 51.32 H new ATOM 0 HG3 LYS A 44 8.113 -7.433 -8.374 1.00 51.32 H new ATOM 0 HD2 LYS A 44 6.984 -8.343 -10.265 1.00 15.12 H new ATOM 0 HD3 LYS A 44 5.496 -7.493 -9.899 1.00 15.12 H new ATOM 0 HE2 LYS A 44 8.044 -5.979 -10.536 1.00 73.53 H new ATOM 0 HE3 LYS A 44 7.009 -6.584 -11.815 1.00 73.53 H new ATOM 0 HZ1 LYS A 44 6.463 -4.307 -11.249 1.00 21.02 H new ATOM 0 HZ2 LYS A 44 5.158 -5.326 -10.874 1.00 21.02 H new ATOM 0 HZ3 LYS A 44 6.160 -4.740 -9.636 1.00 21.02 H new ATOM 685 N GLN A 45 4.685 -8.194 -4.610 1.00 70.01 N ATOM 686 CA GLN A 45 4.087 -9.033 -3.578 1.00 23.11 C ATOM 687 C GLN A 45 2.643 -8.622 -3.312 1.00 43.33 C ATOM 688 O GLN A 45 1.770 -9.470 -3.130 1.00 22.25 O ATOM 689 CB GLN A 45 4.901 -8.948 -2.286 1.00 22.33 C ATOM 690 CG GLN A 45 4.451 -9.930 -1.217 1.00 24.03 C ATOM 691 CD GLN A 45 3.201 -9.471 -0.492 1.00 63.42 C ATOM 692 OE1 GLN A 45 3.236 -8.253 0.035 1.00 23.33 O flip ATOM 693 NE2 GLN A 45 2.215 -10.203 -0.405 1.00 63.33 N flip ATOM 0 H GLN A 45 5.362 -7.515 -4.262 1.00 70.01 H new ATOM 0 HA GLN A 45 4.092 -10.063 -3.934 1.00 23.11 H new ATOM 0 HB2 GLN A 45 5.951 -9.130 -2.515 1.00 22.33 H new ATOM 0 HB3 GLN A 45 4.832 -7.935 -1.889 1.00 22.33 H new ATOM 0 HG2 GLN A 45 4.264 -10.901 -1.676 1.00 24.03 H new ATOM 0 HG3 GLN A 45 5.255 -10.069 -0.495 1.00 24.03 H new ATOM 0 HE21 GLN A 45 2.231 -11.132 -0.825 1.00 63.33 H new ATOM 0 HE22 GLN A 45 1.382 -9.880 0.087 1.00 63.33 H new ATOM 700 N MET A 46 2.400 -7.316 -3.287 1.00 22.23 N ATOM 701 CA MET A 46 1.060 -6.792 -3.043 1.00 63.04 C ATOM 702 C MET A 46 0.388 -6.386 -4.351 1.00 64.10 C ATOM 703 O MET A 46 -0.713 -5.835 -4.349 1.00 74.33 O ATOM 704 CB MET A 46 1.123 -5.593 -2.095 1.00 62.42 C ATOM 705 CG MET A 46 1.902 -4.415 -2.656 1.00 4.10 C ATOM 706 SD MET A 46 1.129 -2.830 -2.280 1.00 70.54 S ATOM 707 CE MET A 46 0.093 -2.608 -3.724 1.00 43.54 C ATOM 0 H MET A 46 3.113 -6.601 -3.433 1.00 22.23 H new ATOM 0 HA MET A 46 0.467 -7.581 -2.580 1.00 63.04 H new ATOM 0 HB2 MET A 46 0.108 -5.270 -1.863 1.00 62.42 H new ATOM 0 HB3 MET A 46 1.580 -5.906 -1.156 1.00 62.42 H new ATOM 0 HG2 MET A 46 2.914 -4.427 -2.250 1.00 4.10 H new ATOM 0 HG3 MET A 46 1.991 -4.524 -3.737 1.00 4.10 H new ATOM 0 HE1 MET A 46 -0.517 -1.714 -3.600 1.00 43.54 H new ATOM 0 HE2 MET A 46 0.720 -2.499 -4.609 1.00 43.54 H new ATOM 0 HE3 MET A 46 -0.555 -3.476 -3.844 1.00 43.54 H new ATOM 715 N TYR A 47 1.057 -6.663 -5.465 1.00 12.12 N ATOM 716 CA TYR A 47 0.525 -6.323 -6.780 1.00 42.22 C ATOM 717 C TYR A 47 1.434 -6.849 -7.887 1.00 12.05 C ATOM 718 O TYR A 47 2.347 -6.156 -8.336 1.00 34.21 O ATOM 719 CB TYR A 47 0.364 -4.808 -6.912 1.00 21.32 C ATOM 720 CG TYR A 47 -0.805 -4.397 -7.779 1.00 21.12 C ATOM 721 CD1 TYR A 47 -2.092 -4.838 -7.499 1.00 2.35 C ATOM 722 CD2 TYR A 47 -0.622 -3.566 -8.878 1.00 42.03 C ATOM 723 CE1 TYR A 47 -3.163 -4.465 -8.288 1.00 31.01 C ATOM 724 CE2 TYR A 47 -1.687 -3.187 -9.672 1.00 64.42 C ATOM 725 CZ TYR A 47 -2.955 -3.641 -9.373 1.00 34.14 C ATOM 726 OH TYR A 47 -4.019 -3.266 -10.162 1.00 12.13 O ATOM 0 H TYR A 47 1.968 -7.122 -5.484 1.00 12.12 H new ATOM 0 HA TYR A 47 -0.452 -6.795 -6.882 1.00 42.22 H new ATOM 0 HB2 TYR A 47 0.239 -4.376 -5.919 1.00 21.32 H new ATOM 0 HB3 TYR A 47 1.280 -4.389 -7.329 1.00 21.32 H new ATOM 0 HD1 TYR A 47 -2.258 -5.484 -6.650 1.00 2.35 H new ATOM 0 HD2 TYR A 47 0.370 -3.210 -9.115 1.00 42.03 H new ATOM 0 HE1 TYR A 47 -4.157 -4.817 -8.056 1.00 31.01 H new ATOM 0 HE2 TYR A 47 -1.528 -2.539 -10.522 1.00 64.42 H new ATOM 0 HH TYR A 47 -4.293 -4.022 -10.722 1.00 12.13 H new ATOM 735 N ASP A 48 1.175 -8.076 -8.323 1.00 42.12 N ATOM 736 CA ASP A 48 1.968 -8.695 -9.379 1.00 42.42 C ATOM 737 C ASP A 48 1.410 -8.344 -10.755 1.00 55.43 C ATOM 738 O ASP A 48 0.556 -9.050 -11.288 1.00 13.01 O ATOM 739 CB ASP A 48 1.997 -10.214 -9.200 1.00 3.12 C ATOM 740 CG ASP A 48 2.515 -10.933 -10.430 1.00 74.22 C ATOM 741 OD1 ASP A 48 3.729 -10.833 -10.707 1.00 31.14 O ATOM 742 OD2 ASP A 48 1.708 -11.593 -11.116 1.00 21.14 O ATOM 0 H ASP A 48 0.422 -8.662 -7.962 1.00 42.12 H new ATOM 0 HA ASP A 48 2.985 -8.308 -9.310 1.00 42.42 H new ATOM 0 HB2 ASP A 48 2.625 -10.464 -8.345 1.00 3.12 H new ATOM 0 HB3 ASP A 48 0.992 -10.569 -8.972 1.00 3.12 H new ATOM 746 N GLY A 49 1.898 -7.245 -11.322 1.00 60.20 N ATOM 747 CA GLY A 49 1.436 -6.816 -12.629 1.00 65.23 C ATOM 748 C GLY A 49 0.208 -5.932 -12.550 1.00 42.23 C ATOM 749 O GLY A 49 0.318 -4.719 -12.385 1.00 73.54 O ATOM 0 H GLY A 49 2.605 -6.644 -10.899 1.00 60.20 H new ATOM 0 HA2 GLY A 49 2.237 -6.276 -13.134 1.00 65.23 H new ATOM 0 HA3 GLY A 49 1.210 -7.692 -13.236 1.00 65.23 H new ATOM 753 N ASN A 50 -0.967 -6.542 -12.666 1.00 70.42 N ATOM 754 CA ASN A 50 -2.222 -5.801 -12.609 1.00 63.33 C ATOM 755 C ASN A 50 -3.101 -6.308 -11.470 1.00 41.22 C ATOM 756 O ASN A 50 -4.141 -5.724 -11.166 1.00 74.43 O ATOM 757 CB ASN A 50 -2.971 -5.922 -13.938 1.00 74.42 C ATOM 758 CG ASN A 50 -2.185 -5.342 -15.099 1.00 10.32 C ATOM 759 OD1 ASN A 50 -2.508 -4.266 -15.605 1.00 43.21 O ATOM 760 ND2 ASN A 50 -1.149 -6.053 -15.525 1.00 22.55 N ATOM 0 H ASN A 50 -1.076 -7.547 -12.800 1.00 70.42 H new ATOM 0 HA ASN A 50 -1.988 -4.752 -12.426 1.00 63.33 H new ATOM 0 HB2 ASN A 50 -3.186 -6.972 -14.137 1.00 74.42 H new ATOM 0 HB3 ASN A 50 -3.930 -5.410 -13.860 1.00 74.42 H new ATOM 0 HD21 ASN A 50 -0.583 -5.714 -16.302 1.00 22.55 H new ATOM 0 HD22 ASN A 50 -0.919 -6.939 -15.075 1.00 22.55 H new ATOM 766 N ASN A 51 -2.675 -7.399 -10.842 1.00 3.31 N ATOM 767 CA ASN A 51 -3.424 -7.986 -9.735 1.00 72.35 C ATOM 768 C ASN A 51 -2.498 -8.764 -8.805 1.00 0.54 C ATOM 769 O ASN A 51 -1.370 -9.098 -9.170 1.00 10.30 O ATOM 770 CB ASN A 51 -4.523 -8.906 -10.267 1.00 4.42 C ATOM 771 CG ASN A 51 -4.000 -10.283 -10.632 1.00 54.43 C ATOM 772 OD1 ASN A 51 -3.272 -10.443 -11.611 1.00 32.33 O ATOM 773 ND2 ASN A 51 -4.369 -11.284 -9.841 1.00 21.33 N ATOM 0 H ASN A 51 -1.816 -7.895 -11.080 1.00 3.31 H new ATOM 0 HA ASN A 51 -3.882 -7.176 -9.168 1.00 72.35 H new ATOM 0 HB2 ASN A 51 -5.305 -9.005 -9.515 1.00 4.42 H new ATOM 0 HB3 ASN A 51 -4.981 -8.450 -11.145 1.00 4.42 H new ATOM 0 HD21 ASN A 51 -4.047 -12.232 -10.035 1.00 21.33 H new ATOM 0 HD22 ASN A 51 -4.974 -11.104 -9.040 1.00 21.33 H new ATOM 779 N LEU A 52 -2.983 -9.051 -7.602 1.00 42.31 N ATOM 780 CA LEU A 52 -2.200 -9.791 -6.619 1.00 42.42 C ATOM 781 C LEU A 52 -1.622 -11.064 -7.229 1.00 32.20 C ATOM 782 O LEU A 52 -2.167 -11.608 -8.190 1.00 12.23 O ATOM 783 CB LEU A 52 -3.067 -10.142 -5.407 1.00 34.22 C ATOM 784 CG LEU A 52 -3.752 -8.966 -4.709 1.00 71.31 C ATOM 785 CD1 LEU A 52 -2.949 -7.689 -4.902 1.00 60.52 C ATOM 786 CD2 LEU A 52 -5.170 -8.790 -5.231 1.00 0.14 C ATOM 0 H LEU A 52 -3.914 -8.783 -7.284 1.00 42.31 H new ATOM 0 HA LEU A 52 -1.374 -9.157 -6.297 1.00 42.42 H new ATOM 0 HB2 LEU A 52 -3.835 -10.846 -5.727 1.00 34.22 H new ATOM 0 HB3 LEU A 52 -2.444 -10.659 -4.677 1.00 34.22 H new ATOM 0 HG LEU A 52 -3.802 -9.181 -3.642 1.00 71.31 H new ATOM 0 HD11 LEU A 52 -3.452 -6.863 -4.398 1.00 60.52 H new ATOM 0 HD12 LEU A 52 -1.952 -7.819 -4.480 1.00 60.52 H new ATOM 0 HD13 LEU A 52 -2.866 -7.469 -5.966 1.00 60.52 H new ATOM 0 HD21 LEU A 52 -5.643 -7.949 -4.724 1.00 0.14 H new ATOM 0 HD22 LEU A 52 -5.142 -8.597 -6.303 1.00 0.14 H new ATOM 0 HD23 LEU A 52 -5.743 -9.697 -5.040 1.00 0.14 H new ATOM 797 N PHE A 53 -0.516 -11.535 -6.664 1.00 55.25 N ATOM 798 CA PHE A 53 0.137 -12.745 -7.152 1.00 53.35 C ATOM 799 C PHE A 53 -0.597 -13.991 -6.667 1.00 71.14 C ATOM 800 O PHE A 53 -1.154 -14.747 -7.462 1.00 24.34 O ATOM 801 CB PHE A 53 1.595 -12.785 -6.689 1.00 33.20 C ATOM 802 CG PHE A 53 2.298 -14.067 -7.034 1.00 33.11 C ATOM 803 CD1 PHE A 53 2.310 -14.536 -8.338 1.00 62.35 C ATOM 804 CD2 PHE A 53 2.947 -14.802 -6.056 1.00 10.12 C ATOM 805 CE1 PHE A 53 2.955 -15.715 -8.658 1.00 65.42 C ATOM 806 CE2 PHE A 53 3.595 -15.982 -6.370 1.00 4.52 C ATOM 807 CZ PHE A 53 3.599 -16.439 -7.673 1.00 23.52 C ATOM 0 H PHE A 53 -0.052 -11.098 -5.868 1.00 55.25 H new ATOM 0 HA PHE A 53 0.110 -12.729 -8.242 1.00 53.35 H new ATOM 0 HB2 PHE A 53 2.134 -11.952 -7.140 1.00 33.20 H new ATOM 0 HB3 PHE A 53 1.629 -12.640 -5.609 1.00 33.20 H new ATOM 0 HD1 PHE A 53 1.810 -13.974 -9.112 1.00 62.35 H new ATOM 0 HD2 PHE A 53 2.947 -14.449 -5.035 1.00 10.12 H new ATOM 0 HE1 PHE A 53 2.956 -16.071 -9.678 1.00 65.42 H new ATOM 0 HE2 PHE A 53 4.097 -16.545 -5.598 1.00 4.52 H new ATOM 0 HZ PHE A 53 4.104 -17.360 -7.922 1.00 23.52 H new ATOM 816 N LYS A 54 -0.593 -14.200 -5.354 1.00 61.44 N ATOM 817 CA LYS A 54 -1.258 -15.354 -4.761 1.00 40.13 C ATOM 818 C LYS A 54 -2.726 -15.052 -4.482 1.00 51.43 C ATOM 819 O LYS A 54 -3.615 -15.761 -4.949 1.00 22.32 O ATOM 820 CB LYS A 54 -0.554 -15.763 -3.464 1.00 32.43 C ATOM 821 CG LYS A 54 -1.197 -16.952 -2.773 1.00 64.24 C ATOM 822 CD LYS A 54 -0.924 -18.247 -3.521 1.00 14.15 C ATOM 823 CE LYS A 54 -2.201 -18.834 -4.102 1.00 32.43 C ATOM 824 NZ LYS A 54 -2.207 -20.322 -4.038 1.00 14.34 N ATOM 0 H LYS A 54 -0.136 -13.585 -4.681 1.00 61.44 H new ATOM 0 HA LYS A 54 -1.204 -16.178 -5.472 1.00 40.13 H new ATOM 0 HB2 LYS A 54 0.487 -16.001 -3.685 1.00 32.43 H new ATOM 0 HB3 LYS A 54 -0.549 -14.915 -2.780 1.00 32.43 H new ATOM 0 HG2 LYS A 54 -0.816 -17.032 -1.755 1.00 64.24 H new ATOM 0 HG3 LYS A 54 -2.273 -16.793 -2.699 1.00 64.24 H new ATOM 0 HD2 LYS A 54 -0.210 -18.062 -4.323 1.00 14.15 H new ATOM 0 HD3 LYS A 54 -0.465 -18.969 -2.846 1.00 14.15 H new ATOM 0 HE2 LYS A 54 -3.061 -18.444 -3.557 1.00 32.43 H new ATOM 0 HE3 LYS A 54 -2.309 -18.515 -5.139 1.00 32.43 H new ATOM 0 HZ1 LYS A 54 -3.094 -20.683 -4.444 1.00 14.34 H new ATOM 0 HZ2 LYS A 54 -1.401 -20.696 -4.579 1.00 14.34 H new ATOM 0 HZ3 LYS A 54 -2.130 -20.627 -3.047 1.00 14.34 H new ATOM 834 N ASN A 55 -2.973 -13.993 -3.716 1.00 62.43 N ATOM 835 CA ASN A 55 -4.335 -13.597 -3.376 1.00 73.24 C ATOM 836 C ASN A 55 -4.341 -12.645 -2.184 1.00 2.55 C ATOM 837 O ASN A 55 -5.091 -12.837 -1.226 1.00 23.12 O ATOM 838 CB ASN A 55 -5.184 -14.830 -3.063 1.00 61.33 C ATOM 839 CG ASN A 55 -6.157 -15.158 -4.179 1.00 45.32 C ATOM 840 OD1 ASN A 55 -6.185 -16.282 -4.683 1.00 50.00 O ATOM 841 ND2 ASN A 55 -6.963 -14.178 -4.569 1.00 65.00 N ATOM 0 H ASN A 55 -2.248 -13.395 -3.320 1.00 62.43 H new ATOM 0 HA ASN A 55 -4.762 -13.080 -4.235 1.00 73.24 H new ATOM 0 HB2 ASN A 55 -4.530 -15.685 -2.892 1.00 61.33 H new ATOM 0 HB3 ASN A 55 -5.738 -14.662 -2.139 1.00 61.33 H new ATOM 0 HD21 ASN A 55 -7.640 -14.341 -5.314 1.00 65.00 H new ATOM 0 HD22 ASN A 55 -6.905 -13.262 -4.123 1.00 65.00 H new ATOM 847 N VAL A 56 -3.502 -11.617 -2.249 1.00 32.21 N ATOM 848 CA VAL A 56 -3.412 -10.633 -1.176 1.00 10.15 C ATOM 849 C VAL A 56 -4.704 -9.833 -1.055 1.00 44.31 C ATOM 850 O VAL A 56 -5.315 -9.465 -2.058 1.00 62.44 O ATOM 851 CB VAL A 56 -2.239 -9.662 -1.402 1.00 34.43 C ATOM 852 CG1 VAL A 56 -1.960 -8.859 -0.141 1.00 74.24 C ATOM 853 CG2 VAL A 56 -0.997 -10.419 -1.847 1.00 23.35 C ATOM 0 H VAL A 56 -2.874 -11.443 -3.034 1.00 32.21 H new ATOM 0 HA VAL A 56 -3.243 -11.186 -0.252 1.00 10.15 H new ATOM 0 HB VAL A 56 -2.515 -8.966 -2.194 1.00 34.43 H new ATOM 0 HG11 VAL A 56 -1.128 -8.178 -0.320 1.00 74.24 H new ATOM 0 HG12 VAL A 56 -2.847 -8.285 0.129 1.00 74.24 H new ATOM 0 HG13 VAL A 56 -1.705 -9.537 0.673 1.00 74.24 H new ATOM 0 HG21 VAL A 56 -0.178 -9.716 -2.002 1.00 23.35 H new ATOM 0 HG22 VAL A 56 -0.716 -11.140 -1.079 1.00 23.35 H new ATOM 0 HG23 VAL A 56 -1.205 -10.944 -2.779 1.00 23.35 H new ATOM 863 N ILE A 57 -5.115 -9.567 0.180 1.00 51.44 N ATOM 864 CA ILE A 57 -6.333 -8.809 0.434 1.00 24.22 C ATOM 865 C ILE A 57 -6.053 -7.592 1.309 1.00 61.11 C ATOM 866 O ILE A 57 -5.781 -7.724 2.502 1.00 52.24 O ATOM 867 CB ILE A 57 -7.407 -9.680 1.113 1.00 53.54 C ATOM 868 CG1 ILE A 57 -7.736 -10.894 0.243 1.00 31.13 C ATOM 869 CG2 ILE A 57 -8.660 -8.860 1.385 1.00 34.01 C ATOM 870 CD1 ILE A 57 -7.854 -12.183 1.024 1.00 25.31 C ATOM 0 H ILE A 57 -4.621 -9.866 1.021 1.00 51.44 H new ATOM 0 HA ILE A 57 -6.705 -8.477 -0.535 1.00 24.22 H new ATOM 0 HB ILE A 57 -7.016 -10.036 2.066 1.00 53.54 H new ATOM 0 HG12 ILE A 57 -8.673 -10.710 -0.283 1.00 31.13 H new ATOM 0 HG13 ILE A 57 -6.961 -11.008 -0.515 1.00 31.13 H new ATOM 0 HG21 ILE A 57 -9.410 -9.489 1.865 1.00 34.01 H new ATOM 0 HG22 ILE A 57 -8.413 -8.025 2.041 1.00 34.01 H new ATOM 0 HG23 ILE A 57 -9.056 -8.478 0.444 1.00 34.01 H new ATOM 0 HD11 ILE A 57 -8.089 -13.001 0.343 1.00 25.31 H new ATOM 0 HD12 ILE A 57 -6.910 -12.390 1.529 1.00 25.31 H new ATOM 0 HD13 ILE A 57 -8.648 -12.088 1.764 1.00 25.31 H new ATOM 881 N ILE A 58 -6.122 -6.409 0.707 1.00 41.54 N ATOM 882 CA ILE A 58 -5.878 -5.169 1.434 1.00 11.22 C ATOM 883 C ILE A 58 -7.078 -4.233 1.339 1.00 55.31 C ATOM 884 O ILE A 58 -7.662 -4.059 0.269 1.00 22.12 O ATOM 885 CB ILE A 58 -4.630 -4.441 0.902 1.00 31.54 C ATOM 886 CG1 ILE A 58 -4.665 -2.964 1.300 1.00 21.23 C ATOM 887 CG2 ILE A 58 -4.537 -4.586 -0.611 1.00 15.44 C ATOM 888 CD1 ILE A 58 -3.357 -2.243 1.061 1.00 43.43 C ATOM 0 H ILE A 58 -6.344 -6.283 -0.280 1.00 41.54 H new ATOM 0 HA ILE A 58 -5.713 -5.441 2.477 1.00 11.22 H new ATOM 0 HB ILE A 58 -3.745 -4.896 1.347 1.00 31.54 H new ATOM 0 HG12 ILE A 58 -5.454 -2.463 0.739 1.00 21.23 H new ATOM 0 HG13 ILE A 58 -4.926 -2.886 2.356 1.00 21.23 H new ATOM 0 HG21 ILE A 58 -3.650 -4.066 -0.972 1.00 15.44 H new ATOM 0 HG22 ILE A 58 -4.470 -5.642 -0.872 1.00 15.44 H new ATOM 0 HG23 ILE A 58 -5.424 -4.154 -1.073 1.00 15.44 H new ATOM 0 HD11 ILE A 58 -3.455 -1.201 1.366 1.00 43.43 H new ATOM 0 HD12 ILE A 58 -2.568 -2.719 1.643 1.00 43.43 H new ATOM 0 HD13 ILE A 58 -3.104 -2.289 0.002 1.00 43.43 H new ATOM 899 N LEU A 59 -7.440 -3.629 2.466 1.00 54.31 N ATOM 900 CA LEU A 59 -8.569 -2.707 2.512 1.00 24.54 C ATOM 901 C LEU A 59 -8.104 -1.289 2.829 1.00 65.33 C ATOM 902 O LEU A 59 -7.010 -1.088 3.356 1.00 72.52 O ATOM 903 CB LEU A 59 -9.587 -3.167 3.557 1.00 31.30 C ATOM 904 CG LEU A 59 -10.482 -4.338 3.152 1.00 1.24 C ATOM 905 CD1 LEU A 59 -11.164 -4.936 4.373 1.00 53.30 C ATOM 906 CD2 LEU A 59 -11.515 -3.892 2.128 1.00 33.20 C ATOM 0 H LEU A 59 -6.968 -3.762 3.360 1.00 54.31 H new ATOM 0 HA LEU A 59 -9.042 -2.703 1.530 1.00 24.54 H new ATOM 0 HB2 LEU A 59 -9.048 -3.444 4.463 1.00 31.30 H new ATOM 0 HB3 LEU A 59 -10.224 -2.320 3.812 1.00 31.30 H new ATOM 0 HG LEU A 59 -9.857 -5.106 2.697 1.00 1.24 H new ATOM 0 HD11 LEU A 59 -11.797 -5.768 4.065 1.00 53.30 H new ATOM 0 HD12 LEU A 59 -10.409 -5.294 5.073 1.00 53.30 H new ATOM 0 HD13 LEU A 59 -11.776 -4.175 4.857 1.00 53.30 H new ATOM 0 HD21 LEU A 59 -12.143 -4.739 1.852 1.00 33.20 H new ATOM 0 HD22 LEU A 59 -12.136 -3.105 2.556 1.00 33.20 H new ATOM 0 HD23 LEU A 59 -11.008 -3.512 1.241 1.00 33.20 H new ATOM 917 N VAL A 60 -8.942 -0.311 2.505 1.00 55.00 N ATOM 918 CA VAL A 60 -8.618 1.089 2.757 1.00 53.43 C ATOM 919 C VAL A 60 -9.826 1.844 3.298 1.00 10.25 C ATOM 920 O VAL A 60 -10.853 1.952 2.629 1.00 11.30 O ATOM 921 CB VAL A 60 -8.118 1.788 1.480 1.00 54.45 C ATOM 922 CG1 VAL A 60 -7.654 3.203 1.793 1.00 54.02 C ATOM 923 CG2 VAL A 60 -7.000 0.983 0.835 1.00 24.21 C ATOM 0 H VAL A 60 -9.851 -0.461 2.067 1.00 55.00 H new ATOM 0 HA VAL A 60 -7.823 1.101 3.503 1.00 53.43 H new ATOM 0 HB VAL A 60 -8.945 1.850 0.773 1.00 54.45 H new ATOM 0 HG11 VAL A 60 -7.304 3.682 0.878 1.00 54.02 H new ATOM 0 HG12 VAL A 60 -8.484 3.775 2.207 1.00 54.02 H new ATOM 0 HG13 VAL A 60 -6.841 3.167 2.518 1.00 54.02 H new ATOM 0 HG21 VAL A 60 -6.659 1.492 -0.066 1.00 24.21 H new ATOM 0 HG22 VAL A 60 -6.170 0.888 1.535 1.00 24.21 H new ATOM 0 HG23 VAL A 60 -7.370 -0.009 0.574 1.00 24.21 H new ATOM 933 N ASN A 61 -9.697 2.366 4.513 1.00 44.02 N ATOM 934 CA ASN A 61 -10.779 3.112 5.145 1.00 60.54 C ATOM 935 C ASN A 61 -12.001 2.224 5.357 1.00 65.22 C ATOM 936 O ASN A 61 -13.134 2.646 5.134 1.00 1.24 O ATOM 937 CB ASN A 61 -11.158 4.323 4.290 1.00 72.23 C ATOM 938 CG ASN A 61 -12.123 5.253 5.000 1.00 24.52 C ATOM 939 OD1 ASN A 61 -11.800 5.608 6.237 1.00 65.32 O flip ATOM 940 ND2 ASN A 61 -13.147 5.647 4.441 1.00 34.21 N flip ATOM 0 H ASN A 61 -8.853 2.286 5.080 1.00 44.02 H new ATOM 0 HA ASN A 61 -10.429 3.457 6.118 1.00 60.54 H new ATOM 0 HB2 ASN A 61 -10.256 4.874 4.025 1.00 72.23 H new ATOM 0 HB3 ASN A 61 -11.607 3.980 3.358 1.00 72.23 H new ATOM 0 HD21 ASN A 61 -13.355 5.348 3.488 1.00 34.21 H new ATOM 0 HD22 ASN A 61 -13.787 6.272 4.931 1.00 34.21 H new ATOM 946 N GLY A 62 -11.760 0.990 5.790 1.00 4.12 N ATOM 947 CA GLY A 62 -12.851 0.061 6.026 1.00 62.44 C ATOM 948 C GLY A 62 -13.775 -0.064 4.831 1.00 35.33 C ATOM 949 O GLY A 62 -14.991 -0.159 4.986 1.00 12.53 O ATOM 0 H GLY A 62 -10.830 0.617 5.981 1.00 4.12 H new ATOM 0 HA2 GLY A 62 -12.443 -0.920 6.270 1.00 62.44 H new ATOM 0 HA3 GLY A 62 -13.425 0.392 6.892 1.00 62.44 H new ATOM 953 N ASN A 63 -13.196 -0.061 3.635 1.00 33.24 N ATOM 954 CA ASN A 63 -13.977 -0.172 2.408 1.00 12.14 C ATOM 955 C ASN A 63 -13.065 -0.258 1.188 1.00 44.15 C ATOM 956 O ASN A 63 -12.314 0.669 0.895 1.00 34.31 O ATOM 957 CB ASN A 63 -14.920 1.025 2.269 1.00 3.22 C ATOM 958 CG ASN A 63 -16.239 0.650 1.620 1.00 43.14 C ATOM 959 OD1 ASN A 63 -17.253 0.483 2.299 1.00 51.15 O ATOM 960 ND2 ASN A 63 -16.232 0.514 0.300 1.00 72.44 N ATOM 0 H ASN A 63 -12.190 0.017 3.489 1.00 33.24 H new ATOM 0 HA ASN A 63 -14.567 -1.087 2.464 1.00 12.14 H new ATOM 0 HB2 ASN A 63 -15.111 1.450 3.254 1.00 3.22 H new ATOM 0 HB3 ASN A 63 -14.434 1.800 1.676 1.00 3.22 H new ATOM 0 HD21 ASN A 63 -17.090 0.262 -0.191 1.00 72.44 H new ATOM 0 HD22 ASN A 63 -15.369 0.662 -0.223 1.00 72.44 H new ATOM 966 N ASN A 64 -13.137 -1.381 0.480 1.00 45.20 N ATOM 967 CA ASN A 64 -12.318 -1.591 -0.708 1.00 15.11 C ATOM 968 C ASN A 64 -12.455 -0.419 -1.676 1.00 14.11 C ATOM 969 O ASN A 64 -13.565 -0.025 -2.036 1.00 4.00 O ATOM 970 CB ASN A 64 -12.717 -2.893 -1.406 1.00 35.15 C ATOM 971 CG ASN A 64 -11.761 -3.267 -2.522 1.00 74.14 C ATOM 972 OD1 ASN A 64 -10.911 -2.470 -2.919 1.00 21.52 O ATOM 973 ND2 ASN A 64 -11.895 -4.486 -3.032 1.00 13.12 N ATOM 0 H ASN A 64 -13.755 -2.160 0.709 1.00 45.20 H new ATOM 0 HA ASN A 64 -11.277 -1.661 -0.393 1.00 15.11 H new ATOM 0 HB2 ASN A 64 -12.749 -3.700 -0.674 1.00 35.15 H new ATOM 0 HB3 ASN A 64 -13.723 -2.791 -1.812 1.00 35.15 H new ATOM 0 HD21 ASN A 64 -11.279 -4.795 -3.784 1.00 13.12 H new ATOM 0 HD22 ASN A 64 -12.614 -5.113 -2.672 1.00 13.12 H new ATOM 979 N ILE A 65 -11.321 0.132 -2.094 1.00 51.25 N ATOM 980 CA ILE A 65 -11.314 1.257 -3.021 1.00 23.24 C ATOM 981 C ILE A 65 -12.091 0.927 -4.292 1.00 42.41 C ATOM 982 O ILE A 65 -12.658 1.811 -4.935 1.00 43.45 O ATOM 983 CB ILE A 65 -9.879 1.665 -3.401 1.00 71.23 C ATOM 984 CG1 ILE A 65 -9.185 0.528 -4.154 1.00 20.02 C ATOM 985 CG2 ILE A 65 -9.089 2.044 -2.158 1.00 20.31 C ATOM 986 CD1 ILE A 65 -7.754 0.840 -4.535 1.00 44.40 C ATOM 0 H ILE A 65 -10.395 -0.182 -1.805 1.00 51.25 H new ATOM 0 HA ILE A 65 -11.796 2.090 -2.509 1.00 23.24 H new ATOM 0 HB ILE A 65 -9.926 2.535 -4.057 1.00 71.23 H new ATOM 0 HG12 ILE A 65 -9.200 -0.369 -3.535 1.00 20.02 H new ATOM 0 HG13 ILE A 65 -9.752 0.302 -5.057 1.00 20.02 H new ATOM 0 HG21 ILE A 65 -8.077 2.330 -2.443 1.00 20.31 H new ATOM 0 HG22 ILE A 65 -9.576 2.882 -1.659 1.00 20.31 H new ATOM 0 HG23 ILE A 65 -9.048 1.192 -1.479 1.00 20.31 H new ATOM 0 HD11 ILE A 65 -7.325 -0.010 -5.065 1.00 44.40 H new ATOM 0 HD12 ILE A 65 -7.732 1.718 -5.180 1.00 44.40 H new ATOM 0 HD13 ILE A 65 -7.172 1.037 -3.634 1.00 44.40 H new ATOM 997 N THR A 66 -12.115 -0.354 -4.647 1.00 1.22 N ATOM 998 CA THR A 66 -12.822 -0.802 -5.840 1.00 43.31 C ATOM 999 C THR A 66 -14.303 -0.448 -5.768 1.00 44.50 C ATOM 1000 O THR A 66 -14.962 -0.277 -6.793 1.00 43.15 O ATOM 1001 CB THR A 66 -12.679 -2.323 -6.040 1.00 3.11 C ATOM 1002 OG1 THR A 66 -13.315 -3.021 -4.963 1.00 70.53 O ATOM 1003 CG2 THR A 66 -11.213 -2.724 -6.114 1.00 20.34 C ATOM 0 H THR A 66 -11.653 -1.099 -4.125 1.00 1.22 H new ATOM 0 HA THR A 66 -12.369 -0.287 -6.687 1.00 43.31 H new ATOM 0 HB THR A 66 -13.161 -2.590 -6.981 1.00 3.11 H new ATOM 0 HG1 THR A 66 -13.362 -3.977 -5.175 1.00 70.53 H new ATOM 0 HG21 THR A 66 -11.137 -3.802 -6.255 1.00 20.34 H new ATOM 0 HG22 THR A 66 -10.738 -2.214 -6.952 1.00 20.34 H new ATOM 0 HG23 THR A 66 -10.712 -2.444 -5.188 1.00 20.34 H new ATOM 1011 N SER A 67 -14.821 -0.339 -4.547 1.00 23.44 N ATOM 1012 CA SER A 67 -16.226 -0.007 -4.341 1.00 24.32 C ATOM 1013 C SER A 67 -16.625 1.211 -5.170 1.00 43.03 C ATOM 1014 O SER A 67 -17.677 1.224 -5.805 1.00 22.35 O ATOM 1015 CB SER A 67 -16.497 0.259 -2.859 1.00 24.42 C ATOM 1016 OG SER A 67 -17.809 0.754 -2.661 1.00 31.54 O ATOM 0 H SER A 67 -14.289 -0.476 -3.688 1.00 23.44 H new ATOM 0 HA SER A 67 -16.826 -0.857 -4.666 1.00 24.32 H new ATOM 0 HB2 SER A 67 -16.363 -0.661 -2.291 1.00 24.42 H new ATOM 0 HB3 SER A 67 -15.772 0.978 -2.477 1.00 24.42 H new ATOM 0 HG SER A 67 -17.860 1.207 -1.794 1.00 31.54 H new ATOM 1021 N MET A 68 -15.773 2.232 -5.155 1.00 24.23 N ATOM 1022 CA MET A 68 -16.036 3.454 -5.906 1.00 63.25 C ATOM 1023 C MET A 68 -14.927 3.718 -6.920 1.00 51.32 C ATOM 1024 O MET A 68 -15.106 3.512 -8.120 1.00 50.25 O ATOM 1025 CB MET A 68 -16.167 4.644 -4.954 1.00 62.15 C ATOM 1026 CG MET A 68 -15.536 4.405 -3.592 1.00 44.42 C ATOM 1027 SD MET A 68 -15.692 5.826 -2.494 1.00 11.53 S ATOM 1028 CE MET A 68 -17.206 5.419 -1.625 1.00 34.50 C ATOM 0 H MET A 68 -14.897 2.237 -4.632 1.00 24.23 H new ATOM 0 HA MET A 68 -16.974 3.325 -6.446 1.00 63.25 H new ATOM 0 HB2 MET A 68 -15.703 5.518 -5.412 1.00 62.15 H new ATOM 0 HB3 MET A 68 -17.223 4.877 -4.820 1.00 62.15 H new ATOM 0 HG2 MET A 68 -16.004 3.538 -3.126 1.00 44.42 H new ATOM 0 HG3 MET A 68 -14.481 4.166 -3.722 1.00 44.42 H new ATOM 0 HE1 MET A 68 -17.436 6.206 -0.907 1.00 34.50 H new ATOM 0 HE2 MET A 68 -18.023 5.330 -2.341 1.00 34.50 H new ATOM 0 HE3 MET A 68 -17.080 4.473 -1.098 1.00 34.50 H new ATOM 1036 N LYS A 69 -13.779 4.176 -6.429 1.00 20.12 N ATOM 1037 CA LYS A 69 -12.640 4.468 -7.290 1.00 23.52 C ATOM 1038 C LYS A 69 -11.405 3.695 -6.839 1.00 73.23 C ATOM 1039 O LYS A 69 -11.050 3.706 -5.661 1.00 71.22 O ATOM 1040 CB LYS A 69 -12.345 5.969 -7.289 1.00 72.32 C ATOM 1041 CG LYS A 69 -13.242 6.766 -8.220 1.00 52.32 C ATOM 1042 CD LYS A 69 -13.275 8.236 -7.838 1.00 10.24 C ATOM 1043 CE LYS A 69 -14.448 8.955 -8.489 1.00 64.40 C ATOM 1044 NZ LYS A 69 -14.348 10.432 -8.335 1.00 72.42 N ATOM 0 H LYS A 69 -13.614 4.353 -5.438 1.00 20.12 H new ATOM 0 HA LYS A 69 -12.892 4.155 -8.303 1.00 23.52 H new ATOM 0 HB2 LYS A 69 -12.457 6.352 -6.275 1.00 72.32 H new ATOM 0 HB3 LYS A 69 -11.306 6.127 -7.577 1.00 72.32 H new ATOM 0 HG2 LYS A 69 -12.887 6.663 -9.245 1.00 52.32 H new ATOM 0 HG3 LYS A 69 -14.253 6.359 -8.190 1.00 52.32 H new ATOM 0 HD2 LYS A 69 -13.345 8.330 -6.754 1.00 10.24 H new ATOM 0 HD3 LYS A 69 -12.342 8.712 -8.139 1.00 10.24 H new ATOM 0 HE2 LYS A 69 -14.486 8.702 -9.549 1.00 64.40 H new ATOM 0 HE3 LYS A 69 -15.380 8.606 -8.044 1.00 64.40 H new ATOM 0 HZ1 LYS A 69 -15.165 10.885 -8.792 1.00 72.42 H new ATOM 0 HZ2 LYS A 69 -14.337 10.676 -7.324 1.00 72.42 H new ATOM 0 HZ3 LYS A 69 -13.471 10.769 -8.782 1.00 72.42 H new ATOM 1054 N GLY A 70 -10.752 3.026 -7.785 1.00 23.25 N ATOM 1055 CA GLY A 70 -9.563 2.259 -7.465 1.00 22.21 C ATOM 1056 C GLY A 70 -8.472 3.111 -6.848 1.00 30.21 C ATOM 1057 O GLY A 70 -8.500 3.399 -5.651 1.00 71.22 O ATOM 0 H GLY A 70 -11.026 3.002 -8.767 1.00 23.25 H new ATOM 0 HA2 GLY A 70 -9.827 1.457 -6.776 1.00 22.21 H new ATOM 0 HA3 GLY A 70 -9.183 1.788 -8.372 1.00 22.21 H new ATOM 1061 N LEU A 71 -7.507 3.515 -7.667 1.00 55.34 N ATOM 1062 CA LEU A 71 -6.399 4.339 -7.194 1.00 51.14 C ATOM 1063 C LEU A 71 -6.838 5.788 -7.010 1.00 50.25 C ATOM 1064 O LEU A 71 -6.160 6.573 -6.347 1.00 53.11 O ATOM 1065 CB LEU A 71 -5.230 4.271 -8.179 1.00 3.03 C ATOM 1066 CG LEU A 71 -3.834 4.423 -7.575 1.00 72.53 C ATOM 1067 CD1 LEU A 71 -3.399 3.132 -6.899 1.00 1.44 C ATOM 1068 CD2 LEU A 71 -2.831 4.830 -8.645 1.00 21.42 C ATOM 0 H LEU A 71 -7.469 3.286 -8.660 1.00 55.34 H new ATOM 0 HA LEU A 71 -6.076 3.950 -6.228 1.00 51.14 H new ATOM 0 HB2 LEU A 71 -5.276 3.315 -8.701 1.00 3.03 H new ATOM 0 HB3 LEU A 71 -5.367 5.051 -8.928 1.00 3.03 H new ATOM 0 HG LEU A 71 -3.871 5.209 -6.821 1.00 72.53 H new ATOM 0 HD11 LEU A 71 -2.403 3.261 -6.475 1.00 1.44 H new ATOM 0 HD12 LEU A 71 -4.102 2.883 -6.104 1.00 1.44 H new ATOM 0 HD13 LEU A 71 -3.380 2.326 -7.632 1.00 1.44 H new ATOM 0 HD21 LEU A 71 -1.843 4.934 -8.197 1.00 21.42 H new ATOM 0 HD22 LEU A 71 -2.799 4.067 -9.423 1.00 21.42 H new ATOM 0 HD23 LEU A 71 -3.132 5.782 -9.083 1.00 21.42 H new ATOM 1079 N ASP A 72 -7.978 6.135 -7.597 1.00 61.41 N ATOM 1080 CA ASP A 72 -8.510 7.489 -7.495 1.00 60.10 C ATOM 1081 C ASP A 72 -9.142 7.722 -6.127 1.00 54.23 C ATOM 1082 O ASP A 72 -9.477 8.852 -5.769 1.00 23.12 O ATOM 1083 CB ASP A 72 -9.542 7.739 -8.596 1.00 65.23 C ATOM 1084 CG ASP A 72 -8.945 8.438 -9.801 1.00 13.24 C ATOM 1085 OD1 ASP A 72 -8.939 9.688 -9.819 1.00 1.40 O ATOM 1086 OD2 ASP A 72 -8.484 7.738 -10.725 1.00 32.43 O ATOM 0 H ASP A 72 -8.552 5.497 -8.149 1.00 61.41 H new ATOM 0 HA ASP A 72 -7.683 8.188 -7.618 1.00 60.10 H new ATOM 0 HB2 ASP A 72 -9.974 6.788 -8.908 1.00 65.23 H new ATOM 0 HB3 ASP A 72 -10.357 8.343 -8.196 1.00 65.23 H new ATOM 1090 N THR A 73 -9.303 6.645 -5.363 1.00 33.15 N ATOM 1091 CA THR A 73 -9.896 6.732 -4.034 1.00 35.44 C ATOM 1092 C THR A 73 -9.068 7.627 -3.119 1.00 31.43 C ATOM 1093 O THR A 73 -7.856 7.451 -2.996 1.00 51.41 O ATOM 1094 CB THR A 73 -10.031 5.341 -3.388 1.00 2.53 C ATOM 1095 OG1 THR A 73 -11.391 4.896 -3.462 1.00 40.11 O ATOM 1096 CG2 THR A 73 -9.582 5.374 -1.934 1.00 23.05 C ATOM 0 H THR A 73 -9.031 5.703 -5.642 1.00 33.15 H new ATOM 0 HA THR A 73 -10.889 7.165 -4.159 1.00 35.44 H new ATOM 0 HB THR A 73 -9.392 4.647 -3.934 1.00 2.53 H new ATOM 0 HG1 THR A 73 -11.468 4.192 -4.139 1.00 40.11 H new ATOM 0 HG21 THR A 73 -9.686 4.380 -1.498 1.00 23.05 H new ATOM 0 HG22 THR A 73 -8.539 5.685 -1.882 1.00 23.05 H new ATOM 0 HG23 THR A 73 -10.199 6.080 -1.379 1.00 23.05 H new ATOM 1104 N GLU A 74 -9.730 8.587 -2.480 1.00 22.50 N ATOM 1105 CA GLU A 74 -9.052 9.510 -1.577 1.00 44.42 C ATOM 1106 C GLU A 74 -8.863 8.880 -0.200 1.00 52.40 C ATOM 1107 O GLU A 74 -9.499 7.878 0.130 1.00 72.43 O ATOM 1108 CB GLU A 74 -9.848 10.810 -1.450 1.00 73.54 C ATOM 1109 CG GLU A 74 -11.103 10.677 -0.605 1.00 2.11 C ATOM 1110 CD GLU A 74 -11.898 11.967 -0.532 1.00 41.24 C ATOM 1111 OE1 GLU A 74 -11.557 12.827 0.307 1.00 72.25 O ATOM 1112 OE2 GLU A 74 -12.860 12.115 -1.313 1.00 52.14 O ATOM 0 H GLU A 74 -10.734 8.746 -2.571 1.00 22.50 H new ATOM 0 HA GLU A 74 -8.070 9.733 -1.994 1.00 44.42 H new ATOM 0 HB2 GLU A 74 -9.207 11.577 -1.015 1.00 73.54 H new ATOM 0 HB3 GLU A 74 -10.126 11.154 -2.446 1.00 73.54 H new ATOM 0 HG2 GLU A 74 -11.733 9.890 -1.019 1.00 2.11 H new ATOM 0 HG3 GLU A 74 -10.827 10.368 0.403 1.00 2.11 H new ATOM 1117 N ILE A 75 -7.984 9.475 0.600 1.00 70.32 N ATOM 1118 CA ILE A 75 -7.711 8.974 1.941 1.00 72.21 C ATOM 1119 C ILE A 75 -7.328 10.110 2.885 1.00 65.31 C ATOM 1120 O ILE A 75 -6.394 10.865 2.618 1.00 72.54 O ATOM 1121 CB ILE A 75 -6.582 7.927 1.932 1.00 23.34 C ATOM 1122 CG1 ILE A 75 -5.405 8.420 1.087 1.00 13.02 C ATOM 1123 CG2 ILE A 75 -7.099 6.597 1.405 1.00 63.41 C ATOM 1124 CD1 ILE A 75 -4.242 7.453 1.047 1.00 15.10 C ATOM 0 H ILE A 75 -7.449 10.304 0.342 1.00 70.32 H new ATOM 0 HA ILE A 75 -8.629 8.504 2.295 1.00 72.21 H new ATOM 0 HB ILE A 75 -6.234 7.781 2.954 1.00 23.34 H new ATOM 0 HG12 ILE A 75 -5.750 8.603 0.069 1.00 13.02 H new ATOM 0 HG13 ILE A 75 -5.059 9.375 1.482 1.00 13.02 H new ATOM 0 HG21 ILE A 75 -6.290 5.867 1.404 1.00 63.41 H new ATOM 0 HG22 ILE A 75 -7.908 6.242 2.044 1.00 63.41 H new ATOM 0 HG23 ILE A 75 -7.470 6.728 0.389 1.00 63.41 H new ATOM 0 HD11 ILE A 75 -3.445 7.868 0.430 1.00 15.10 H new ATOM 0 HD12 ILE A 75 -3.870 7.289 2.058 1.00 15.10 H new ATOM 0 HD13 ILE A 75 -4.572 6.504 0.623 1.00 15.10 H new ATOM 1135 N LYS A 76 -8.054 10.223 3.992 1.00 21.10 N ATOM 1136 CA LYS A 76 -7.789 11.263 4.978 1.00 23.15 C ATOM 1137 C LYS A 76 -6.889 10.740 6.092 1.00 21.12 C ATOM 1138 O LYS A 76 -6.573 9.551 6.141 1.00 54.52 O ATOM 1139 CB LYS A 76 -9.103 11.780 5.569 1.00 43.33 C ATOM 1140 CG LYS A 76 -10.077 12.301 4.527 1.00 72.24 C ATOM 1141 CD LYS A 76 -10.986 13.375 5.100 1.00 44.23 C ATOM 1142 CE LYS A 76 -10.396 14.764 4.911 1.00 23.34 C ATOM 1143 NZ LYS A 76 -10.456 15.202 3.488 1.00 52.35 N ATOM 0 H LYS A 76 -8.831 9.606 4.229 1.00 21.10 H new ATOM 0 HA LYS A 76 -7.276 12.083 4.476 1.00 23.15 H new ATOM 0 HB2 LYS A 76 -9.580 10.976 6.130 1.00 43.33 H new ATOM 0 HB3 LYS A 76 -8.883 12.577 6.279 1.00 43.33 H new ATOM 0 HG2 LYS A 76 -9.523 12.706 3.680 1.00 72.24 H new ATOM 0 HG3 LYS A 76 -10.681 11.477 4.148 1.00 72.24 H new ATOM 0 HD2 LYS A 76 -11.961 13.324 4.616 1.00 44.23 H new ATOM 0 HD3 LYS A 76 -11.147 13.188 6.162 1.00 44.23 H new ATOM 0 HE2 LYS A 76 -10.937 15.476 5.534 1.00 23.34 H new ATOM 0 HE3 LYS A 76 -9.360 14.768 5.249 1.00 23.34 H new ATOM 0 HZ1 LYS A 76 -10.321 16.232 3.436 1.00 52.35 H new ATOM 0 HZ2 LYS A 76 -9.706 14.727 2.947 1.00 52.35 H new ATOM 0 HZ3 LYS A 76 -11.383 14.954 3.087 1.00 52.35 H new ATOM 1153 N ASP A 77 -6.480 11.634 6.985 1.00 12.35 N ATOM 1154 CA ASP A 77 -5.618 11.262 8.101 1.00 61.11 C ATOM 1155 C ASP A 77 -6.291 10.214 8.982 1.00 34.31 C ATOM 1156 O ASP A 77 -5.622 9.467 9.696 1.00 55.51 O ATOM 1157 CB ASP A 77 -5.265 12.496 8.934 1.00 20.01 C ATOM 1158 CG ASP A 77 -6.485 13.136 9.566 1.00 61.22 C ATOM 1159 OD1 ASP A 77 -7.280 13.753 8.828 1.00 13.40 O ATOM 1160 OD2 ASP A 77 -6.644 13.020 10.800 1.00 60.31 O ATOM 0 H ASP A 77 -6.732 12.622 6.958 1.00 12.35 H new ATOM 0 HA ASP A 77 -4.702 10.834 7.693 1.00 61.11 H new ATOM 0 HB2 ASP A 77 -4.560 12.213 9.716 1.00 20.01 H new ATOM 0 HB3 ASP A 77 -4.762 13.227 8.301 1.00 20.01 H new ATOM 1164 N ASP A 78 -7.617 10.165 8.927 1.00 31.55 N ATOM 1165 CA ASP A 78 -8.381 9.208 9.719 1.00 31.23 C ATOM 1166 C ASP A 78 -8.353 7.825 9.076 1.00 62.41 C ATOM 1167 O ASP A 78 -8.321 6.808 9.769 1.00 13.34 O ATOM 1168 CB ASP A 78 -9.827 9.683 9.876 1.00 63.54 C ATOM 1169 CG ASP A 78 -9.933 10.957 10.690 1.00 63.20 C ATOM 1170 OD1 ASP A 78 -10.035 10.861 11.930 1.00 60.14 O ATOM 1171 OD2 ASP A 78 -9.915 12.050 10.086 1.00 53.44 O ATOM 0 H ASP A 78 -8.186 10.777 8.342 1.00 31.55 H new ATOM 0 HA ASP A 78 -7.920 9.139 10.705 1.00 31.23 H new ATOM 0 HB2 ASP A 78 -10.261 9.848 8.890 1.00 63.54 H new ATOM 0 HB3 ASP A 78 -10.414 8.899 10.355 1.00 63.54 H new ATOM 1175 N ASP A 79 -8.366 7.796 7.748 1.00 43.22 N ATOM 1176 CA ASP A 79 -8.342 6.537 7.011 1.00 31.22 C ATOM 1177 C ASP A 79 -7.197 5.649 7.488 1.00 51.31 C ATOM 1178 O ASP A 79 -6.241 6.125 8.102 1.00 10.11 O ATOM 1179 CB ASP A 79 -8.206 6.802 5.511 1.00 71.02 C ATOM 1180 CG ASP A 79 -9.477 7.363 4.904 1.00 54.04 C ATOM 1181 OD1 ASP A 79 -10.210 8.080 5.619 1.00 60.35 O ATOM 1182 OD2 ASP A 79 -9.739 7.087 3.716 1.00 31.24 O ATOM 0 H ASP A 79 -8.393 8.629 7.160 1.00 43.22 H new ATOM 0 HA ASP A 79 -9.282 6.018 7.197 1.00 31.22 H new ATOM 0 HB2 ASP A 79 -7.387 7.501 5.341 1.00 71.02 H new ATOM 0 HB3 ASP A 79 -7.943 5.874 5.003 1.00 71.02 H new ATOM 1186 N LYS A 80 -7.301 4.355 7.205 1.00 40.42 N ATOM 1187 CA LYS A 80 -6.275 3.399 7.605 1.00 35.21 C ATOM 1188 C LYS A 80 -6.168 2.261 6.595 1.00 32.55 C ATOM 1189 O LYS A 80 -7.179 1.752 6.111 1.00 22.43 O ATOM 1190 CB LYS A 80 -6.588 2.835 8.993 1.00 40.00 C ATOM 1191 CG LYS A 80 -7.911 2.093 9.064 1.00 33.13 C ATOM 1192 CD LYS A 80 -8.146 1.503 10.444 1.00 62.44 C ATOM 1193 CE LYS A 80 -9.628 1.443 10.781 1.00 31.42 C ATOM 1194 NZ LYS A 80 -10.227 2.803 10.890 1.00 24.11 N ATOM 0 H LYS A 80 -8.086 3.944 6.700 1.00 40.42 H new ATOM 0 HA LYS A 80 -5.319 3.922 7.639 1.00 35.21 H new ATOM 0 HB2 LYS A 80 -5.786 2.160 9.291 1.00 40.00 H new ATOM 0 HB3 LYS A 80 -6.600 3.653 9.714 1.00 40.00 H new ATOM 0 HG2 LYS A 80 -8.725 2.774 8.815 1.00 33.13 H new ATOM 0 HG3 LYS A 80 -7.923 1.297 8.320 1.00 33.13 H new ATOM 0 HD2 LYS A 80 -7.721 0.500 10.489 1.00 62.44 H new ATOM 0 HD3 LYS A 80 -7.626 2.103 11.191 1.00 62.44 H new ATOM 0 HE2 LYS A 80 -10.153 0.875 10.012 1.00 31.42 H new ATOM 0 HE3 LYS A 80 -9.765 0.909 11.721 1.00 31.42 H new ATOM 0 HZ1 LYS A 80 -11.044 2.772 11.532 1.00 24.11 H new ATOM 0 HZ2 LYS A 80 -9.518 3.466 11.264 1.00 24.11 H new ATOM 0 HZ3 LYS A 80 -10.537 3.122 9.950 1.00 24.11 H new ATOM 1204 N ILE A 81 -4.938 1.867 6.282 1.00 53.31 N ATOM 1205 CA ILE A 81 -4.701 0.788 5.332 1.00 64.14 C ATOM 1206 C ILE A 81 -4.095 -0.429 6.023 1.00 60.43 C ATOM 1207 O ILE A 81 -3.244 -0.298 6.902 1.00 54.04 O ATOM 1208 CB ILE A 81 -3.765 1.236 4.194 1.00 20.32 C ATOM 1209 CG1 ILE A 81 -4.342 2.462 3.484 1.00 20.02 C ATOM 1210 CG2 ILE A 81 -3.550 0.099 3.207 1.00 45.02 C ATOM 1211 CD1 ILE A 81 -3.939 3.774 4.119 1.00 71.41 C ATOM 0 H ILE A 81 -4.091 2.279 6.673 1.00 53.31 H new ATOM 0 HA ILE A 81 -5.670 0.520 4.911 1.00 64.14 H new ATOM 0 HB ILE A 81 -2.800 1.507 4.622 1.00 20.32 H new ATOM 0 HG12 ILE A 81 -4.016 2.456 2.444 1.00 20.02 H new ATOM 0 HG13 ILE A 81 -5.430 2.390 3.478 1.00 20.02 H new ATOM 0 HG21 ILE A 81 -2.886 0.431 2.409 1.00 45.02 H new ATOM 0 HG22 ILE A 81 -3.101 -0.750 3.722 1.00 45.02 H new ATOM 0 HG23 ILE A 81 -4.508 -0.200 2.782 1.00 45.02 H new ATOM 0 HD11 ILE A 81 -4.384 4.599 3.563 1.00 71.41 H new ATOM 0 HD12 ILE A 81 -4.288 3.801 5.151 1.00 71.41 H new ATOM 0 HD13 ILE A 81 -2.853 3.869 4.101 1.00 71.41 H new ATOM 1222 N ASP A 82 -4.539 -1.614 5.618 1.00 21.04 N ATOM 1223 CA ASP A 82 -4.039 -2.857 6.196 1.00 34.23 C ATOM 1224 C ASP A 82 -3.810 -3.906 5.111 1.00 54.32 C ATOM 1225 O ASP A 82 -4.667 -4.128 4.256 1.00 1.23 O ATOM 1226 CB ASP A 82 -5.020 -3.390 7.240 1.00 14.04 C ATOM 1227 CG ASP A 82 -5.237 -2.416 8.381 1.00 33.20 C ATOM 1228 OD1 ASP A 82 -4.347 -2.313 9.250 1.00 64.05 O ATOM 1229 OD2 ASP A 82 -6.298 -1.757 8.405 1.00 12.31 O ATOM 0 H ASP A 82 -5.244 -1.740 4.892 1.00 21.04 H new ATOM 0 HA ASP A 82 -3.085 -2.647 6.680 1.00 34.23 H new ATOM 0 HB2 ASP A 82 -5.976 -3.603 6.761 1.00 14.04 H new ATOM 0 HB3 ASP A 82 -4.646 -4.333 7.638 1.00 14.04 H new ATOM 1233 N LEU A 83 -2.647 -4.547 5.154 1.00 45.12 N ATOM 1234 CA LEU A 83 -2.304 -5.574 4.174 1.00 54.53 C ATOM 1235 C LEU A 83 -2.500 -6.970 4.758 1.00 20.34 C ATOM 1236 O LEU A 83 -1.902 -7.318 5.776 1.00 11.40 O ATOM 1237 CB LEU A 83 -0.857 -5.400 3.711 1.00 51.12 C ATOM 1238 CG LEU A 83 -0.441 -6.221 2.490 1.00 71.14 C ATOM 1239 CD1 LEU A 83 -0.253 -7.683 2.867 1.00 14.34 C ATOM 1240 CD2 LEU A 83 -1.470 -6.083 1.378 1.00 72.33 C ATOM 0 H LEU A 83 -1.926 -4.375 5.855 1.00 45.12 H new ATOM 0 HA LEU A 83 -2.969 -5.462 3.317 1.00 54.53 H new ATOM 0 HB2 LEU A 83 -0.692 -4.346 3.489 1.00 51.12 H new ATOM 0 HB3 LEU A 83 -0.198 -5.658 4.540 1.00 51.12 H new ATOM 0 HG LEU A 83 0.512 -5.836 2.126 1.00 71.14 H new ATOM 0 HD11 LEU A 83 0.043 -8.251 1.985 1.00 14.34 H new ATOM 0 HD12 LEU A 83 0.522 -7.766 3.629 1.00 14.34 H new ATOM 0 HD13 LEU A 83 -1.189 -8.081 3.258 1.00 14.34 H new ATOM 0 HD21 LEU A 83 -1.157 -6.674 0.517 1.00 72.33 H new ATOM 0 HD22 LEU A 83 -2.437 -6.440 1.731 1.00 72.33 H new ATOM 0 HD23 LEU A 83 -1.554 -5.036 1.088 1.00 72.33 H new ATOM 1251 N PHE A 84 -3.340 -7.766 4.104 1.00 52.24 N ATOM 1252 CA PHE A 84 -3.614 -9.125 4.556 1.00 52.11 C ATOM 1253 C PHE A 84 -3.144 -10.147 3.525 1.00 14.12 C ATOM 1254 O PHE A 84 -3.361 -9.996 2.322 1.00 52.15 O ATOM 1255 CB PHE A 84 -5.109 -9.303 4.825 1.00 3.10 C ATOM 1256 CG PHE A 84 -5.414 -9.812 6.205 1.00 12.13 C ATOM 1257 CD1 PHE A 84 -5.430 -8.948 7.288 1.00 31.12 C ATOM 1258 CD2 PHE A 84 -5.686 -11.154 6.418 1.00 51.55 C ATOM 1259 CE1 PHE A 84 -5.710 -9.413 8.559 1.00 62.15 C ATOM 1260 CE2 PHE A 84 -5.966 -11.625 7.688 1.00 3.42 C ATOM 1261 CZ PHE A 84 -5.979 -10.753 8.759 1.00 25.50 C ATOM 0 H PHE A 84 -3.843 -7.493 3.259 1.00 52.24 H new ATOM 0 HA PHE A 84 -3.063 -9.292 5.482 1.00 52.11 H new ATOM 0 HB2 PHE A 84 -5.612 -8.347 4.680 1.00 3.10 H new ATOM 0 HB3 PHE A 84 -5.522 -9.996 4.092 1.00 3.10 H new ATOM 0 HD1 PHE A 84 -5.221 -7.899 7.137 1.00 31.12 H new ATOM 0 HD2 PHE A 84 -5.679 -11.839 5.583 1.00 51.55 H new ATOM 0 HE1 PHE A 84 -5.718 -8.729 9.395 1.00 62.15 H new ATOM 0 HE2 PHE A 84 -6.174 -12.673 7.842 1.00 3.42 H new ATOM 0 HZ PHE A 84 -6.199 -11.118 9.751 1.00 25.50 H new ATOM 1270 N PRO A 85 -2.485 -11.210 4.005 1.00 64.10 N ATOM 1271 CA PRO A 85 -1.970 -12.279 3.142 1.00 13.34 C ATOM 1272 C PRO A 85 -3.087 -13.121 2.535 1.00 20.21 C ATOM 1273 O PRO A 85 -4.241 -13.065 2.959 1.00 20.12 O ATOM 1274 CB PRO A 85 -1.119 -13.124 4.094 1.00 21.54 C ATOM 1275 CG PRO A 85 -1.699 -12.876 5.442 1.00 52.41 C ATOM 1276 CD PRO A 85 -2.191 -11.454 5.427 1.00 64.23 C ATOM 0 HA PRO A 85 -1.416 -11.885 2.290 1.00 13.34 H new ATOM 0 HB2 PRO A 85 -1.164 -14.181 3.832 1.00 21.54 H new ATOM 0 HB3 PRO A 85 -0.070 -12.830 4.054 1.00 21.54 H new ATOM 0 HG2 PRO A 85 -2.515 -13.569 5.649 1.00 52.41 H new ATOM 0 HG3 PRO A 85 -0.951 -13.022 6.221 1.00 52.41 H new ATOM 0 HD2 PRO A 85 -3.078 -11.329 6.048 1.00 64.23 H new ATOM 0 HD3 PRO A 85 -1.437 -10.764 5.806 1.00 64.23 H new ATOM 1281 N PRO A 86 -2.738 -13.922 1.517 1.00 10.10 N ATOM 1282 CA PRO A 86 -3.697 -14.793 0.830 1.00 71.14 C ATOM 1283 C PRO A 86 -4.163 -15.948 1.709 1.00 62.50 C ATOM 1284 O PRO A 86 -3.432 -16.408 2.587 1.00 11.22 O ATOM 1285 CB PRO A 86 -2.902 -15.319 -0.368 1.00 33.04 C ATOM 1286 CG PRO A 86 -1.477 -15.241 0.058 1.00 34.43 C ATOM 1287 CD PRO A 86 -1.381 -14.041 0.959 1.00 74.15 C ATOM 0 HA PRO A 86 -4.607 -14.261 0.554 1.00 71.14 H new ATOM 0 HB2 PRO A 86 -3.186 -16.342 -0.613 1.00 33.04 H new ATOM 0 HB3 PRO A 86 -3.082 -14.716 -1.258 1.00 33.04 H new ATOM 0 HG2 PRO A 86 -1.176 -16.148 0.582 1.00 34.43 H new ATOM 0 HG3 PRO A 86 -0.817 -15.137 -0.803 1.00 34.43 H new ATOM 0 HD2 PRO A 86 -0.636 -14.185 1.742 1.00 74.15 H new ATOM 0 HD3 PRO A 86 -1.094 -13.146 0.407 1.00 74.15 H new ATOM 1292 N VAL A 87 -5.384 -16.416 1.466 1.00 75.25 N ATOM 1293 CA VAL A 87 -5.947 -17.518 2.235 1.00 45.12 C ATOM 1294 C VAL A 87 -5.041 -18.744 2.183 1.00 72.23 C ATOM 1295 O VAL A 87 -5.002 -19.539 3.121 1.00 61.43 O ATOM 1296 CB VAL A 87 -7.345 -17.907 1.718 1.00 33.11 C ATOM 1297 CG1 VAL A 87 -8.328 -16.763 1.925 1.00 64.25 C ATOM 1298 CG2 VAL A 87 -7.280 -18.305 0.251 1.00 50.14 C ATOM 0 H VAL A 87 -6.001 -16.048 0.742 1.00 75.25 H new ATOM 0 HA VAL A 87 -6.031 -17.174 3.266 1.00 45.12 H new ATOM 0 HB VAL A 87 -7.698 -18.766 2.288 1.00 33.11 H new ATOM 0 HG11 VAL A 87 -9.310 -17.056 1.554 1.00 64.25 H new ATOM 0 HG12 VAL A 87 -8.396 -16.530 2.988 1.00 64.25 H new ATOM 0 HG13 VAL A 87 -7.982 -15.883 1.382 1.00 64.25 H new ATOM 0 HG21 VAL A 87 -8.277 -18.577 -0.097 1.00 50.14 H new ATOM 0 HG22 VAL A 87 -6.906 -17.467 -0.337 1.00 50.14 H new ATOM 0 HG23 VAL A 87 -6.610 -19.157 0.135 1.00 50.14 H new ATOM 1308 N ALA A 88 -4.313 -18.888 1.080 1.00 54.20 N ATOM 1309 CA ALA A 88 -3.405 -20.014 0.907 1.00 64.04 C ATOM 1310 C ALA A 88 -1.950 -19.573 1.039 1.00 4.33 C ATOM 1311 O ALA A 88 -1.096 -19.972 0.249 1.00 2.34 O ATOM 1312 CB ALA A 88 -3.636 -20.677 -0.444 1.00 12.42 C ATOM 0 H ALA A 88 -4.335 -18.239 0.294 1.00 54.20 H new ATOM 0 HA ALA A 88 -3.611 -20.738 1.695 1.00 64.04 H new ATOM 0 HB1 ALA A 88 -2.950 -21.517 -0.559 1.00 12.42 H new ATOM 0 HB2 ALA A 88 -4.663 -21.037 -0.502 1.00 12.42 H new ATOM 0 HB3 ALA A 88 -3.460 -19.953 -1.239 1.00 12.42 H new