USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 683 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 69 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 82 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Set 2.1: A 41 ASN : amide:sc= 0 X(o=-0.32,f=-0.35) USER MOD Set 2.2: A 43 MET CE :methyl -116:sc= -0.164 (180deg=-0.106) USER MOD Set 2.3: A 44 ASN : amide:sc= -0.152 K(o=-0.32,f=-9.8!) USER MOD Single : A 7 LYS NZ :NH3+ 139:sc= 1.15 (180deg=0.184) USER MOD Single : A 9 LYS NZ :NH3+ -144:sc= 0.976 (180deg=0.109) USER MOD Single : A 13 TYR OH : rot 141:sc= -0.831 USER MOD Single : A 15 MET CE :methyl -149:sc= -0.497 (180deg=-3.11!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -168:sc=-0.00877 (180deg=-0.137) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot -140:sc= -0.515 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -172:sc=-0.00678 (180deg=-0.102) USER MOD Single : A 49 MET CE :methyl -143:sc= -3.71! (180deg=-4.01!) USER MOD Single : A 51 TYR OH : rot -109:sc= 0.237 USER MOD Single : A 56 MET CE :methyl 149:sc= -1.41 (180deg=-3.2!) USER MOD Single : A 59 SER OG : rot -140:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 HIS :FLIP no HD1:sc= -0.552 F(o=-3.4!,f=-0.55) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0742 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 161:sc= 0.757 (180deg=0.551) USER MOD Single : A 74 ASN : amide:sc= 0.0129 X(o=0.013,f=-0.26) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 80:sc= 1.12 USER MOD Single : A 84 LYS NZ :NH3+ 149:sc= -1.03 (180deg=-2.08!) USER MOD ----------------------------------------------------------------- ATOM 39 N GLU A 4 -1.191 12.920 -3.851 1.00 63.33 N ATOM 40 CA GLU A 4 -1.718 11.871 -4.762 1.00 70.15 C ATOM 41 C GLU A 4 -0.621 11.278 -5.683 1.00 1.03 C ATOM 42 O GLU A 4 -0.817 10.238 -6.322 1.00 41.22 O ATOM 43 CB GLU A 4 -2.935 12.409 -5.577 1.00 2.34 C ATOM 44 CG GLU A 4 -4.127 12.856 -4.681 1.00 60.12 C ATOM 45 CD GLU A 4 -5.485 12.972 -5.423 1.00 70.42 C ATOM 46 OE1 GLU A 4 -5.702 13.970 -6.150 1.00 2.42 O ATOM 47 OE2 GLU A 4 -6.337 12.062 -5.278 1.00 54.45 O ATOM 0 HA GLU A 4 -2.067 11.046 -4.141 1.00 70.15 H new ATOM 0 HB2 GLU A 4 -2.611 13.253 -6.186 1.00 2.34 H new ATOM 0 HB3 GLU A 4 -3.276 11.633 -6.263 1.00 2.34 H new ATOM 0 HG2 GLU A 4 -4.235 12.145 -3.862 1.00 60.12 H new ATOM 0 HG3 GLU A 4 -3.888 13.822 -4.236 1.00 60.12 H new ATOM 54 N GLU A 5 0.529 11.958 -5.725 1.00 45.42 N ATOM 55 CA GLU A 5 1.733 11.519 -6.455 1.00 22.04 C ATOM 56 C GLU A 5 2.364 10.293 -5.785 1.00 71.42 C ATOM 57 O GLU A 5 2.948 9.443 -6.476 1.00 12.44 O ATOM 58 CB GLU A 5 2.765 12.676 -6.532 1.00 61.41 C ATOM 59 CG GLU A 5 2.377 13.838 -7.473 1.00 34.14 C ATOM 60 CD GLU A 5 1.042 14.552 -7.157 1.00 71.43 C ATOM 61 OE1 GLU A 5 0.789 14.893 -5.979 1.00 74.41 O ATOM 62 OE2 GLU A 5 0.250 14.801 -8.093 1.00 74.15 O ATOM 0 H GLU A 5 0.656 12.848 -5.244 1.00 45.42 H new ATOM 0 HA GLU A 5 1.435 11.240 -7.466 1.00 22.04 H new ATOM 0 HB2 GLU A 5 2.915 13.076 -5.529 1.00 61.41 H new ATOM 0 HB3 GLU A 5 3.721 12.268 -6.859 1.00 61.41 H new ATOM 0 HG2 GLU A 5 3.176 14.579 -7.451 1.00 34.14 H new ATOM 0 HG3 GLU A 5 2.328 13.453 -8.492 1.00 34.14 H new ATOM 69 N VAL A 6 2.252 10.201 -4.440 1.00 55.23 N ATOM 70 CA VAL A 6 2.792 9.046 -3.701 1.00 21.41 C ATOM 71 C VAL A 6 1.979 7.795 -4.010 1.00 3.01 C ATOM 72 O VAL A 6 2.552 6.718 -4.123 1.00 64.21 O ATOM 73 CB VAL A 6 2.882 9.259 -2.135 1.00 64.31 C ATOM 74 CG1 VAL A 6 1.532 9.094 -1.390 1.00 32.23 C ATOM 75 CG2 VAL A 6 3.941 8.328 -1.523 1.00 11.14 C ATOM 0 H VAL A 6 1.799 10.903 -3.855 1.00 55.23 H new ATOM 0 HA VAL A 6 3.818 8.928 -4.048 1.00 21.41 H new ATOM 0 HB VAL A 6 3.175 10.300 -1.999 1.00 64.31 H new ATOM 0 HG11 VAL A 6 1.683 9.256 -0.323 1.00 32.23 H new ATOM 0 HG12 VAL A 6 0.815 9.822 -1.770 1.00 32.23 H new ATOM 0 HG13 VAL A 6 1.147 8.087 -1.553 1.00 32.23 H new ATOM 0 HG21 VAL A 6 3.988 8.489 -0.446 1.00 11.14 H new ATOM 0 HG22 VAL A 6 3.673 7.291 -1.723 1.00 11.14 H new ATOM 0 HG23 VAL A 6 4.914 8.543 -1.965 1.00 11.14 H new ATOM 85 N LYS A 7 0.652 7.980 -4.195 1.00 43.24 N ATOM 86 CA LYS A 7 -0.282 6.877 -4.503 1.00 34.21 C ATOM 87 C LYS A 7 0.131 6.156 -5.784 1.00 31.14 C ATOM 88 O LYS A 7 0.077 4.934 -5.861 1.00 22.42 O ATOM 89 CB LYS A 7 -1.732 7.393 -4.642 1.00 33.22 C ATOM 90 CG LYS A 7 -2.336 7.978 -3.344 1.00 74.15 C ATOM 91 CD LYS A 7 -3.869 8.193 -3.435 1.00 75.12 C ATOM 92 CE LYS A 7 -4.307 9.090 -4.605 1.00 41.01 C ATOM 93 NZ LYS A 7 -5.773 9.353 -4.604 1.00 21.35 N ATOM 0 H LYS A 7 0.202 8.893 -4.135 1.00 43.24 H new ATOM 0 HA LYS A 7 -0.241 6.174 -3.671 1.00 34.21 H new ATOM 0 HB2 LYS A 7 -1.758 8.160 -5.416 1.00 33.22 H new ATOM 0 HB3 LYS A 7 -2.364 6.573 -4.984 1.00 33.22 H new ATOM 0 HG2 LYS A 7 -2.117 7.307 -2.513 1.00 74.15 H new ATOM 0 HG3 LYS A 7 -1.853 8.930 -3.121 1.00 74.15 H new ATOM 0 HD2 LYS A 7 -4.356 7.223 -3.532 1.00 75.12 H new ATOM 0 HD3 LYS A 7 -4.220 8.634 -2.502 1.00 75.12 H new ATOM 0 HE2 LYS A 7 -3.771 10.038 -4.552 1.00 41.01 H new ATOM 0 HE3 LYS A 7 -4.027 8.617 -5.546 1.00 41.01 H new ATOM 0 HZ1 LYS A 7 -5.947 10.349 -4.849 1.00 21.35 H new ATOM 0 HZ2 LYS A 7 -6.236 8.738 -5.303 1.00 21.35 H new ATOM 0 HZ3 LYS A 7 -6.160 9.156 -3.659 1.00 21.35 H new ATOM 107 N GLU A 8 0.545 6.941 -6.778 1.00 74.20 N ATOM 108 CA GLU A 8 1.015 6.442 -8.050 1.00 54.11 C ATOM 109 C GLU A 8 2.318 5.624 -7.882 1.00 50.24 C ATOM 110 O GLU A 8 2.511 4.601 -8.546 1.00 12.54 O ATOM 111 CB GLU A 8 1.213 7.632 -9.010 1.00 73.44 C ATOM 112 CG GLU A 8 1.455 7.193 -10.442 1.00 23.32 C ATOM 113 CD GLU A 8 1.810 8.343 -11.395 1.00 25.32 C ATOM 114 OE1 GLU A 8 3.009 8.682 -11.517 1.00 33.40 O ATOM 115 OE2 GLU A 8 0.893 8.925 -12.017 1.00 51.12 O ATOM 0 H GLU A 8 0.560 7.959 -6.711 1.00 74.20 H new ATOM 0 HA GLU A 8 0.272 5.764 -8.471 1.00 54.11 H new ATOM 0 HB2 GLU A 8 0.332 8.273 -8.974 1.00 73.44 H new ATOM 0 HB3 GLU A 8 2.057 8.232 -8.670 1.00 73.44 H new ATOM 0 HG2 GLU A 8 2.262 6.461 -10.455 1.00 23.32 H new ATOM 0 HG3 GLU A 8 0.562 6.690 -10.813 1.00 23.32 H new ATOM 122 N LYS A 9 3.193 6.076 -6.968 1.00 14.11 N ATOM 123 CA LYS A 9 4.443 5.363 -6.632 1.00 52.31 C ATOM 124 C LYS A 9 4.160 4.089 -5.812 1.00 55.12 C ATOM 125 O LYS A 9 4.953 3.151 -5.857 1.00 22.31 O ATOM 126 CB LYS A 9 5.429 6.280 -5.869 1.00 21.32 C ATOM 127 CG LYS A 9 5.900 7.531 -6.643 1.00 12.41 C ATOM 128 CD LYS A 9 6.952 8.338 -5.851 1.00 60.42 C ATOM 129 CE LYS A 9 6.454 8.788 -4.465 1.00 43.21 C ATOM 130 NZ LYS A 9 7.507 9.489 -3.680 1.00 44.32 N ATOM 0 H LYS A 9 3.058 6.940 -6.443 1.00 14.11 H new ATOM 0 HA LYS A 9 4.906 5.070 -7.574 1.00 52.31 H new ATOM 0 HB2 LYS A 9 4.956 6.603 -4.942 1.00 21.32 H new ATOM 0 HB3 LYS A 9 6.305 5.693 -5.592 1.00 21.32 H new ATOM 0 HG2 LYS A 9 6.322 7.227 -7.601 1.00 12.41 H new ATOM 0 HG3 LYS A 9 5.042 8.168 -6.860 1.00 12.41 H new ATOM 0 HD2 LYS A 9 7.849 7.731 -5.728 1.00 60.42 H new ATOM 0 HD3 LYS A 9 7.238 9.216 -6.430 1.00 60.42 H new ATOM 0 HE2 LYS A 9 5.596 9.449 -4.588 1.00 43.21 H new ATOM 0 HE3 LYS A 9 6.108 7.918 -3.907 1.00 43.21 H new ATOM 0 HZ1 LYS A 9 7.410 9.245 -2.674 1.00 44.32 H new ATOM 0 HZ2 LYS A 9 8.446 9.196 -4.019 1.00 44.32 H new ATOM 0 HZ3 LYS A 9 7.402 10.517 -3.798 1.00 44.32 H new ATOM 144 N ILE A 10 3.029 4.060 -5.064 1.00 63.55 N ATOM 145 CA ILE A 10 2.589 2.836 -4.349 1.00 62.02 C ATOM 146 C ILE A 10 2.204 1.794 -5.405 1.00 64.44 C ATOM 147 O ILE A 10 2.713 0.680 -5.395 1.00 70.32 O ATOM 148 CB ILE A 10 1.362 3.079 -3.379 1.00 55.11 C ATOM 149 CG1 ILE A 10 1.592 4.282 -2.412 1.00 34.44 C ATOM 150 CG2 ILE A 10 1.011 1.798 -2.580 1.00 45.25 C ATOM 151 CD1 ILE A 10 2.822 4.202 -1.516 1.00 61.41 C ATOM 0 H ILE A 10 2.411 4.862 -4.941 1.00 63.55 H new ATOM 0 HA ILE A 10 3.413 2.499 -3.719 1.00 62.02 H new ATOM 0 HB ILE A 10 0.514 3.334 -4.015 1.00 55.11 H new ATOM 0 HG12 ILE A 10 1.662 5.192 -3.008 1.00 34.44 H new ATOM 0 HG13 ILE A 10 0.712 4.384 -1.777 1.00 34.44 H new ATOM 0 HG21 ILE A 10 0.164 1.999 -1.924 1.00 45.25 H new ATOM 0 HG22 ILE A 10 0.751 0.997 -3.272 1.00 45.25 H new ATOM 0 HG23 ILE A 10 1.870 1.496 -1.981 1.00 45.25 H new ATOM 0 HD11 ILE A 10 2.875 5.093 -0.890 1.00 61.41 H new ATOM 0 HD12 ILE A 10 2.754 3.317 -0.883 1.00 61.41 H new ATOM 0 HD13 ILE A 10 3.718 4.138 -2.133 1.00 61.41 H new ATOM 163 N ARG A 11 1.343 2.241 -6.350 1.00 21.03 N ATOM 164 CA ARG A 11 0.876 1.448 -7.520 1.00 61.52 C ATOM 165 C ARG A 11 2.043 0.780 -8.258 1.00 35.12 C ATOM 166 O ARG A 11 1.994 -0.405 -8.579 1.00 33.24 O ATOM 167 CB ARG A 11 0.125 2.376 -8.521 1.00 73.40 C ATOM 168 CG ARG A 11 -1.208 2.951 -8.024 1.00 31.04 C ATOM 169 CD ARG A 11 -1.821 3.964 -9.017 1.00 74.22 C ATOM 170 NE ARG A 11 -2.043 3.370 -10.353 1.00 62.11 N ATOM 171 CZ ARG A 11 -3.176 3.446 -11.076 1.00 1.14 C ATOM 172 NH1 ARG A 11 -4.240 4.102 -10.626 1.00 64.21 N ATOM 173 NH2 ARG A 11 -3.246 2.822 -12.241 1.00 52.54 N ATOM 0 H ARG A 11 0.944 3.179 -6.323 1.00 21.03 H new ATOM 0 HA ARG A 11 0.212 0.671 -7.141 1.00 61.52 H new ATOM 0 HB2 ARG A 11 0.782 3.205 -8.782 1.00 73.40 H new ATOM 0 HB3 ARG A 11 -0.061 1.816 -9.437 1.00 73.40 H new ATOM 0 HG2 ARG A 11 -1.913 2.136 -7.859 1.00 31.04 H new ATOM 0 HG3 ARG A 11 -1.054 3.438 -7.061 1.00 31.04 H new ATOM 0 HD2 ARG A 11 -2.769 4.330 -8.622 1.00 74.22 H new ATOM 0 HD3 ARG A 11 -1.160 4.826 -9.109 1.00 74.22 H new ATOM 0 HE ARG A 11 -1.265 2.855 -10.765 1.00 62.11 H new ATOM 0 HH11 ARG A 11 -4.209 4.561 -9.716 1.00 64.21 H new ATOM 0 HH12 ARG A 11 -5.088 4.147 -11.191 1.00 64.21 H new ATOM 0 HH21 ARG A 11 -2.446 2.290 -12.583 1.00 52.54 H new ATOM 0 HH22 ARG A 11 -4.100 2.873 -12.797 1.00 52.54 H new ATOM 187 N ARG A 12 3.084 1.575 -8.519 1.00 31.01 N ATOM 188 CA ARG A 12 4.254 1.137 -9.292 1.00 34.32 C ATOM 189 C ARG A 12 5.132 0.185 -8.493 1.00 34.32 C ATOM 190 O ARG A 12 5.532 -0.853 -9.005 1.00 65.42 O ATOM 191 CB ARG A 12 5.070 2.358 -9.771 1.00 30.33 C ATOM 192 CG ARG A 12 4.388 3.206 -10.868 1.00 3.30 C ATOM 193 CD ARG A 12 3.731 2.345 -11.976 1.00 25.14 C ATOM 194 NE ARG A 12 4.588 1.261 -12.490 1.00 25.52 N ATOM 195 CZ ARG A 12 5.719 1.398 -13.201 1.00 54.22 C ATOM 196 NH1 ARG A 12 6.202 2.593 -13.525 1.00 63.11 N ATOM 197 NH2 ARG A 12 6.373 0.319 -13.577 1.00 71.14 N ATOM 0 H ARG A 12 3.141 2.542 -8.201 1.00 31.01 H new ATOM 0 HA ARG A 12 3.891 0.593 -10.164 1.00 34.32 H new ATOM 0 HB2 ARG A 12 5.276 2.998 -8.913 1.00 30.33 H new ATOM 0 HB3 ARG A 12 6.032 2.009 -10.147 1.00 30.33 H new ATOM 0 HG2 ARG A 12 3.629 3.840 -10.410 1.00 3.30 H new ATOM 0 HG3 ARG A 12 5.127 3.868 -11.320 1.00 3.30 H new ATOM 0 HD2 ARG A 12 2.811 1.911 -11.585 1.00 25.14 H new ATOM 0 HD3 ARG A 12 3.449 2.994 -12.805 1.00 25.14 H new ATOM 0 HE ARG A 12 4.291 0.307 -12.284 1.00 25.52 H new ATOM 0 HH11 ARG A 12 5.711 3.438 -13.233 1.00 63.11 H new ATOM 0 HH12 ARG A 12 7.064 2.665 -14.066 1.00 63.11 H new ATOM 0 HH21 ARG A 12 6.019 -0.605 -13.328 1.00 71.14 H new ATOM 0 HH22 ARG A 12 7.234 0.407 -14.118 1.00 71.14 H new ATOM 211 N TYR A 13 5.396 0.555 -7.240 1.00 64.05 N ATOM 212 CA TYR A 13 6.210 -0.258 -6.292 1.00 2.25 C ATOM 213 C TYR A 13 5.623 -1.672 -6.131 1.00 34.11 C ATOM 214 O TYR A 13 6.360 -2.659 -6.036 1.00 13.44 O ATOM 215 CB TYR A 13 6.290 0.466 -4.924 1.00 32.32 C ATOM 216 CG TYR A 13 6.934 -0.353 -3.785 1.00 31.45 C ATOM 217 CD1 TYR A 13 8.298 -0.660 -3.801 1.00 31.23 C ATOM 218 CD2 TYR A 13 6.180 -0.813 -2.701 1.00 30.01 C ATOM 219 CE1 TYR A 13 8.880 -1.395 -2.786 1.00 12.43 C ATOM 220 CE2 TYR A 13 6.760 -1.546 -1.687 1.00 61.51 C ATOM 221 CZ TYR A 13 8.106 -1.831 -1.733 1.00 3.34 C ATOM 222 OH TYR A 13 8.678 -2.562 -0.722 1.00 22.12 O ATOM 0 H TYR A 13 5.057 1.429 -6.837 1.00 64.05 H new ATOM 0 HA TYR A 13 7.217 -0.366 -6.696 1.00 2.25 H new ATOM 0 HB2 TYR A 13 6.856 1.389 -5.052 1.00 32.32 H new ATOM 0 HB3 TYR A 13 5.282 0.750 -4.621 1.00 32.32 H new ATOM 0 HD1 TYR A 13 8.909 -0.316 -4.623 1.00 31.23 H new ATOM 0 HD2 TYR A 13 5.124 -0.590 -2.657 1.00 30.01 H new ATOM 0 HE1 TYR A 13 9.934 -1.626 -2.818 1.00 12.43 H new ATOM 0 HE2 TYR A 13 6.160 -1.895 -0.860 1.00 61.51 H new ATOM 0 HH TYR A 13 8.292 -2.291 0.137 1.00 22.12 H new ATOM 232 N ILE A 14 4.291 -1.727 -6.099 1.00 73.35 N ATOM 233 CA ILE A 14 3.518 -2.970 -6.083 1.00 43.32 C ATOM 234 C ILE A 14 3.922 -3.854 -7.270 1.00 3.13 C ATOM 235 O ILE A 14 4.376 -4.975 -7.096 1.00 65.40 O ATOM 236 CB ILE A 14 1.973 -2.638 -6.097 1.00 51.30 C ATOM 237 CG1 ILE A 14 1.509 -2.062 -4.715 1.00 30.02 C ATOM 238 CG2 ILE A 14 1.114 -3.836 -6.531 1.00 42.40 C ATOM 239 CD1 ILE A 14 1.691 -3.004 -3.534 1.00 62.51 C ATOM 0 H ILE A 14 3.707 -0.891 -6.083 1.00 73.35 H new ATOM 0 HA ILE A 14 3.732 -3.526 -5.170 1.00 43.32 H new ATOM 0 HB ILE A 14 1.821 -1.866 -6.851 1.00 51.30 H new ATOM 0 HG12 ILE A 14 2.061 -1.144 -4.517 1.00 30.02 H new ATOM 0 HG13 ILE A 14 0.456 -1.791 -4.786 1.00 30.02 H new ATOM 0 HG21 ILE A 14 0.062 -3.551 -6.522 1.00 42.40 H new ATOM 0 HG22 ILE A 14 1.399 -4.142 -7.538 1.00 42.40 H new ATOM 0 HG23 ILE A 14 1.271 -4.665 -5.841 1.00 42.40 H new ATOM 0 HD11 ILE A 14 1.342 -2.517 -2.623 1.00 62.51 H new ATOM 0 HD12 ILE A 14 1.115 -3.914 -3.702 1.00 62.51 H new ATOM 0 HD13 ILE A 14 2.746 -3.256 -3.429 1.00 62.51 H new ATOM 251 N MET A 15 3.818 -3.297 -8.464 1.00 73.43 N ATOM 252 CA MET A 15 4.065 -4.042 -9.704 1.00 41.15 C ATOM 253 C MET A 15 5.553 -4.399 -9.876 1.00 64.12 C ATOM 254 O MET A 15 5.876 -5.496 -10.313 1.00 60.43 O ATOM 255 CB MET A 15 3.539 -3.232 -10.898 1.00 24.22 C ATOM 256 CG MET A 15 2.061 -2.868 -10.789 1.00 33.01 C ATOM 257 SD MET A 15 1.003 -4.272 -10.352 1.00 14.00 S ATOM 258 CE MET A 15 1.125 -5.296 -11.806 1.00 42.24 C ATOM 0 H MET A 15 3.562 -2.321 -8.610 1.00 73.43 H new ATOM 0 HA MET A 15 3.528 -4.989 -9.652 1.00 41.15 H new ATOM 0 HB2 MET A 15 4.124 -2.317 -10.991 1.00 24.22 H new ATOM 0 HB3 MET A 15 3.697 -3.805 -11.812 1.00 24.22 H new ATOM 0 HG2 MET A 15 1.942 -2.086 -10.039 1.00 33.01 H new ATOM 0 HG3 MET A 15 1.726 -2.452 -11.739 1.00 33.01 H new ATOM 0 HE1 MET A 15 0.194 -5.846 -11.943 1.00 42.24 H new ATOM 0 HE2 MET A 15 1.307 -4.669 -12.679 1.00 42.24 H new ATOM 0 HE3 MET A 15 1.948 -6.000 -11.687 1.00 42.24 H new ATOM 268 N GLU A 16 6.442 -3.492 -9.459 1.00 51.41 N ATOM 269 CA GLU A 16 7.891 -3.633 -9.680 1.00 4.03 C ATOM 270 C GLU A 16 8.505 -4.657 -8.723 1.00 41.32 C ATOM 271 O GLU A 16 9.288 -5.505 -9.138 1.00 44.34 O ATOM 272 CB GLU A 16 8.583 -2.258 -9.531 1.00 10.02 C ATOM 273 CG GLU A 16 8.226 -1.242 -10.636 1.00 14.00 C ATOM 274 CD GLU A 16 8.639 -1.711 -12.042 1.00 73.20 C ATOM 275 OE1 GLU A 16 9.846 -1.634 -12.366 1.00 64.43 O ATOM 276 OE2 GLU A 16 7.772 -2.142 -12.831 1.00 30.53 O ATOM 0 H GLU A 16 6.182 -2.641 -8.960 1.00 51.41 H new ATOM 0 HA GLU A 16 8.048 -4.000 -10.694 1.00 4.03 H new ATOM 0 HB2 GLU A 16 8.316 -1.833 -8.563 1.00 10.02 H new ATOM 0 HB3 GLU A 16 9.663 -2.407 -9.526 1.00 10.02 H new ATOM 0 HG2 GLU A 16 7.151 -1.060 -10.621 1.00 14.00 H new ATOM 0 HG3 GLU A 16 8.713 -0.291 -10.419 1.00 14.00 H new ATOM 283 N ASP A 17 8.128 -4.572 -7.447 1.00 0.45 N ATOM 284 CA ASP A 17 8.721 -5.393 -6.369 1.00 43.05 C ATOM 285 C ASP A 17 7.814 -6.560 -5.998 1.00 71.22 C ATOM 286 O ASP A 17 8.237 -7.714 -6.050 1.00 25.32 O ATOM 287 CB ASP A 17 8.997 -4.511 -5.131 1.00 31.41 C ATOM 288 CG ASP A 17 10.147 -3.516 -5.367 1.00 62.52 C ATOM 289 OD1 ASP A 17 9.937 -2.478 -6.039 1.00 15.11 O ATOM 290 OD2 ASP A 17 11.279 -3.790 -4.908 1.00 22.33 O ATOM 0 H ASP A 17 7.402 -3.933 -7.122 1.00 0.45 H new ATOM 0 HA ASP A 17 9.661 -5.807 -6.732 1.00 43.05 H new ATOM 0 HB2 ASP A 17 8.092 -3.962 -4.870 1.00 31.41 H new ATOM 0 HB3 ASP A 17 9.240 -5.148 -4.281 1.00 31.41 H new ATOM 295 N LEU A 18 6.559 -6.243 -5.636 1.00 51.21 N ATOM 296 CA LEU A 18 5.599 -7.235 -5.091 1.00 41.34 C ATOM 297 C LEU A 18 5.184 -8.265 -6.165 1.00 35.34 C ATOM 298 O LEU A 18 5.027 -9.451 -5.862 1.00 21.41 O ATOM 299 CB LEU A 18 4.369 -6.531 -4.444 1.00 42.03 C ATOM 300 CG LEU A 18 4.636 -5.748 -3.102 1.00 51.44 C ATOM 301 CD1 LEU A 18 5.260 -6.662 -2.023 1.00 42.12 C ATOM 302 CD2 LEU A 18 5.497 -4.474 -3.297 1.00 61.31 C ATOM 0 H LEU A 18 6.177 -5.300 -5.710 1.00 51.21 H new ATOM 0 HA LEU A 18 6.102 -7.790 -4.299 1.00 41.34 H new ATOM 0 HB2 LEU A 18 3.954 -5.832 -5.170 1.00 42.03 H new ATOM 0 HB3 LEU A 18 3.605 -7.285 -4.254 1.00 42.03 H new ATOM 0 HG LEU A 18 3.656 -5.418 -2.756 1.00 51.44 H new ATOM 0 HD11 LEU A 18 5.429 -6.087 -1.113 1.00 42.12 H new ATOM 0 HD12 LEU A 18 4.582 -7.488 -1.809 1.00 42.12 H new ATOM 0 HD13 LEU A 18 6.209 -7.056 -2.385 1.00 42.12 H new ATOM 0 HD21 LEU A 18 5.643 -3.983 -2.335 1.00 61.31 H new ATOM 0 HD22 LEU A 18 6.465 -4.750 -3.714 1.00 61.31 H new ATOM 0 HD23 LEU A 18 4.989 -3.792 -3.979 1.00 61.31 H new ATOM 314 N ILE A 19 5.019 -7.807 -7.418 1.00 63.02 N ATOM 315 CA ILE A 19 4.817 -8.697 -8.581 1.00 40.00 C ATOM 316 C ILE A 19 6.200 -9.133 -9.129 1.00 31.11 C ATOM 317 O ILE A 19 6.592 -10.302 -8.990 1.00 25.30 O ATOM 318 CB ILE A 19 3.932 -8.011 -9.716 1.00 20.42 C ATOM 319 CG1 ILE A 19 2.416 -7.908 -9.319 1.00 53.54 C ATOM 320 CG2 ILE A 19 4.066 -8.738 -11.076 1.00 2.33 C ATOM 321 CD1 ILE A 19 2.091 -7.026 -8.135 1.00 5.44 C ATOM 0 H ILE A 19 5.021 -6.815 -7.655 1.00 63.02 H new ATOM 0 HA ILE A 19 4.262 -9.577 -8.255 1.00 40.00 H new ATOM 0 HB ILE A 19 4.324 -6.999 -9.820 1.00 20.42 H new ATOM 0 HG12 ILE A 19 1.861 -7.540 -10.182 1.00 53.54 H new ATOM 0 HG13 ILE A 19 2.049 -8.912 -9.108 1.00 53.54 H new ATOM 0 HG21 ILE A 19 3.446 -8.237 -11.819 1.00 2.33 H new ATOM 0 HG22 ILE A 19 5.107 -8.718 -11.398 1.00 2.33 H new ATOM 0 HG23 ILE A 19 3.739 -9.772 -10.969 1.00 2.33 H new ATOM 0 HD11 ILE A 19 1.015 -7.035 -7.959 1.00 5.44 H new ATOM 0 HD12 ILE A 19 2.607 -7.400 -7.251 1.00 5.44 H new ATOM 0 HD13 ILE A 19 2.416 -6.006 -8.341 1.00 5.44 H new ATOM 333 N GLY A 20 6.945 -8.181 -9.710 1.00 12.14 N ATOM 334 CA GLY A 20 8.252 -8.460 -10.335 1.00 15.05 C ATOM 335 C GLY A 20 8.539 -7.544 -11.529 1.00 33.44 C ATOM 336 O GLY A 20 7.705 -6.702 -11.866 1.00 10.30 O ATOM 0 H GLY A 20 6.664 -7.202 -9.761 1.00 12.14 H new ATOM 0 HA2 GLY A 20 9.040 -8.340 -9.591 1.00 15.05 H new ATOM 0 HA3 GLY A 20 8.280 -9.499 -10.663 1.00 15.05 H new ATOM 340 N PRO A 21 9.722 -7.698 -12.210 1.00 1.33 N ATOM 341 CA PRO A 21 10.116 -6.835 -13.354 1.00 2.43 C ATOM 342 C PRO A 21 9.095 -6.898 -14.521 1.00 43.10 C ATOM 343 O PRO A 21 8.776 -5.879 -15.139 1.00 45.05 O ATOM 344 CB PRO A 21 11.503 -7.392 -13.774 1.00 2.25 C ATOM 345 CG PRO A 21 11.550 -8.777 -13.209 1.00 33.51 C ATOM 346 CD PRO A 21 10.763 -8.715 -11.921 1.00 22.51 C ATOM 0 HA PRO A 21 10.148 -5.780 -13.082 1.00 2.43 H new ATOM 0 HB2 PRO A 21 11.612 -7.404 -14.858 1.00 2.25 H new ATOM 0 HB3 PRO A 21 12.312 -6.777 -13.379 1.00 2.25 H new ATOM 0 HG2 PRO A 21 11.114 -9.498 -13.901 1.00 33.51 H new ATOM 0 HG3 PRO A 21 12.578 -9.092 -13.026 1.00 33.51 H new ATOM 0 HD2 PRO A 21 10.324 -9.681 -11.670 1.00 22.51 H new ATOM 0 HD3 PRO A 21 11.390 -8.422 -11.079 1.00 22.51 H new ATOM 354 N SER A 22 8.605 -8.117 -14.813 1.00 73.32 N ATOM 355 CA SER A 22 7.522 -8.344 -15.773 1.00 24.40 C ATOM 356 C SER A 22 6.187 -8.228 -15.017 1.00 41.23 C ATOM 357 O SER A 22 5.762 -9.170 -14.338 1.00 25.44 O ATOM 358 CB SER A 22 7.682 -9.739 -16.416 1.00 24.44 C ATOM 359 OG SER A 22 8.993 -9.931 -16.939 1.00 3.04 O ATOM 0 H SER A 22 8.955 -8.974 -14.384 1.00 73.32 H new ATOM 0 HA SER A 22 7.549 -7.606 -16.574 1.00 24.40 H new ATOM 0 HB2 SER A 22 7.470 -10.508 -15.674 1.00 24.44 H new ATOM 0 HB3 SER A 22 6.950 -9.857 -17.215 1.00 24.44 H new ATOM 0 HG SER A 22 9.059 -10.824 -17.336 1.00 3.04 H new ATOM 365 N ALA A 23 5.572 -7.040 -15.082 1.00 5.21 N ATOM 366 CA ALA A 23 4.363 -6.708 -14.319 1.00 22.12 C ATOM 367 C ALA A 23 3.261 -6.155 -15.229 1.00 2.41 C ATOM 368 O ALA A 23 3.516 -5.278 -16.064 1.00 20.52 O ATOM 369 CB ALA A 23 4.715 -5.695 -13.240 1.00 25.11 C ATOM 0 H ALA A 23 5.903 -6.276 -15.671 1.00 5.21 H new ATOM 0 HA ALA A 23 3.981 -7.619 -13.859 1.00 22.12 H new ATOM 0 HB1 ALA A 23 3.820 -5.445 -12.670 1.00 25.11 H new ATOM 0 HB2 ALA A 23 5.464 -6.120 -12.572 1.00 25.11 H new ATOM 0 HB3 ALA A 23 5.114 -4.793 -13.704 1.00 25.11 H new ATOM 375 N LYS A 24 2.035 -6.673 -15.045 1.00 70.22 N ATOM 376 CA LYS A 24 0.845 -6.270 -15.814 1.00 11.40 C ATOM 377 C LYS A 24 0.290 -4.923 -15.317 1.00 1.11 C ATOM 378 O LYS A 24 -0.628 -4.885 -14.485 1.00 54.13 O ATOM 379 CB LYS A 24 -0.241 -7.361 -15.733 1.00 14.32 C ATOM 380 CG LYS A 24 0.168 -8.712 -16.343 1.00 24.54 C ATOM 381 CD LYS A 24 -0.945 -9.772 -16.218 1.00 74.32 C ATOM 382 CE LYS A 24 -0.578 -11.079 -16.925 1.00 54.11 C ATOM 383 NZ LYS A 24 -0.428 -10.909 -18.390 1.00 51.45 N ATOM 0 H LYS A 24 1.840 -7.393 -14.349 1.00 70.22 H new ATOM 0 HA LYS A 24 1.143 -6.147 -16.855 1.00 11.40 H new ATOM 0 HB2 LYS A 24 -0.507 -7.514 -14.687 1.00 14.32 H new ATOM 0 HB3 LYS A 24 -1.137 -7.003 -16.241 1.00 14.32 H new ATOM 0 HG2 LYS A 24 0.417 -8.573 -17.395 1.00 24.54 H new ATOM 0 HG3 LYS A 24 1.069 -9.074 -15.847 1.00 24.54 H new ATOM 0 HD2 LYS A 24 -1.137 -9.972 -15.164 1.00 74.32 H new ATOM 0 HD3 LYS A 24 -1.869 -9.378 -16.642 1.00 74.32 H new ATOM 0 HE2 LYS A 24 0.354 -11.464 -16.510 1.00 54.11 H new ATOM 0 HE3 LYS A 24 -1.348 -11.825 -16.726 1.00 54.11 H new ATOM 0 HZ1 LYS A 24 -0.382 -11.843 -18.845 1.00 51.45 H new ATOM 0 HZ2 LYS A 24 -1.243 -10.382 -18.764 1.00 51.45 H new ATOM 0 HZ3 LYS A 24 0.446 -10.383 -18.591 1.00 51.45 H new ATOM 397 N GLU A 25 0.890 -3.818 -15.789 1.00 31.40 N ATOM 398 CA GLU A 25 0.406 -2.444 -15.486 1.00 22.22 C ATOM 399 C GLU A 25 -1.023 -2.231 -16.034 1.00 52.31 C ATOM 400 O GLU A 25 -1.813 -1.460 -15.490 1.00 73.35 O ATOM 401 CB GLU A 25 1.366 -1.373 -16.079 1.00 53.31 C ATOM 402 CG GLU A 25 2.819 -1.459 -15.580 1.00 63.04 C ATOM 403 CD GLU A 25 3.030 -1.160 -14.085 1.00 35.03 C ATOM 404 OE1 GLU A 25 2.167 -0.517 -13.440 1.00 52.02 O ATOM 405 OE2 GLU A 25 4.098 -1.532 -13.561 1.00 64.21 O ATOM 0 H GLU A 25 1.717 -3.841 -16.386 1.00 31.40 H new ATOM 0 HA GLU A 25 0.386 -2.332 -14.402 1.00 22.22 H new ATOM 0 HB2 GLU A 25 1.364 -1.466 -17.165 1.00 53.31 H new ATOM 0 HB3 GLU A 25 0.974 -0.384 -15.843 1.00 53.31 H new ATOM 0 HG2 GLU A 25 3.197 -2.460 -15.788 1.00 63.04 H new ATOM 0 HG3 GLU A 25 3.425 -0.763 -16.160 1.00 63.04 H new ATOM 412 N ASP A 26 -1.318 -2.961 -17.118 1.00 74.23 N ATOM 413 CA ASP A 26 -2.639 -2.999 -17.779 1.00 34.02 C ATOM 414 C ASP A 26 -3.718 -3.557 -16.827 1.00 53.14 C ATOM 415 O ASP A 26 -4.878 -3.161 -16.883 1.00 34.00 O ATOM 416 CB ASP A 26 -2.533 -3.869 -19.068 1.00 20.04 C ATOM 417 CG ASP A 26 -3.740 -3.727 -20.009 1.00 42.41 C ATOM 418 OD1 ASP A 26 -3.779 -2.742 -20.779 1.00 43.12 O ATOM 419 OD2 ASP A 26 -4.642 -4.592 -19.992 1.00 20.32 O ATOM 0 H ASP A 26 -0.630 -3.559 -17.575 1.00 74.23 H new ATOM 0 HA ASP A 26 -2.937 -1.986 -18.048 1.00 34.02 H new ATOM 0 HB2 ASP A 26 -1.627 -3.593 -19.609 1.00 20.04 H new ATOM 0 HB3 ASP A 26 -2.427 -4.915 -18.782 1.00 20.04 H new ATOM 424 N GLU A 27 -3.295 -4.478 -15.945 1.00 34.03 N ATOM 425 CA GLU A 27 -4.169 -5.095 -14.916 1.00 25.21 C ATOM 426 C GLU A 27 -4.200 -4.277 -13.600 1.00 13.33 C ATOM 427 O GLU A 27 -5.152 -4.402 -12.813 1.00 11.24 O ATOM 428 CB GLU A 27 -3.691 -6.540 -14.630 1.00 52.53 C ATOM 429 CG GLU A 27 -3.967 -7.549 -15.756 1.00 32.51 C ATOM 430 CD GLU A 27 -5.468 -7.765 -16.016 1.00 43.22 C ATOM 431 OE1 GLU A 27 -6.113 -8.510 -15.244 1.00 25.14 O ATOM 432 OE2 GLU A 27 -6.016 -7.185 -16.974 1.00 44.14 O ATOM 0 H GLU A 27 -2.335 -4.821 -15.920 1.00 34.03 H new ATOM 0 HA GLU A 27 -5.185 -5.107 -15.310 1.00 25.21 H new ATOM 0 HB2 GLU A 27 -2.619 -6.520 -14.435 1.00 52.53 H new ATOM 0 HB3 GLU A 27 -4.174 -6.893 -13.719 1.00 52.53 H new ATOM 0 HG2 GLU A 27 -3.492 -7.201 -16.673 1.00 32.51 H new ATOM 0 HG3 GLU A 27 -3.507 -8.504 -15.501 1.00 32.51 H new ATOM 439 N LEU A 28 -3.152 -3.472 -13.362 1.00 11.12 N ATOM 440 CA LEU A 28 -3.028 -2.626 -12.156 1.00 21.23 C ATOM 441 C LEU A 28 -4.085 -1.497 -12.189 1.00 0.51 C ATOM 442 O LEU A 28 -4.165 -0.739 -13.157 1.00 12.50 O ATOM 443 CB LEU A 28 -1.573 -2.067 -12.064 1.00 4.52 C ATOM 444 CG LEU A 28 -1.132 -1.308 -10.751 1.00 72.33 C ATOM 445 CD1 LEU A 28 -1.732 0.105 -10.631 1.00 5.40 C ATOM 446 CD2 LEU A 28 -1.427 -2.129 -9.473 1.00 74.20 C ATOM 0 H LEU A 28 -2.362 -3.387 -14.001 1.00 11.12 H new ATOM 0 HA LEU A 28 -3.217 -3.219 -11.261 1.00 21.23 H new ATOM 0 HB2 LEU A 28 -0.888 -2.903 -12.208 1.00 4.52 H new ATOM 0 HB3 LEU A 28 -1.427 -1.387 -12.903 1.00 4.52 H new ATOM 0 HG LEU A 28 -0.052 -1.191 -10.842 1.00 72.33 H new ATOM 0 HD11 LEU A 28 -1.388 0.569 -9.707 1.00 5.40 H new ATOM 0 HD12 LEU A 28 -1.413 0.709 -11.481 1.00 5.40 H new ATOM 0 HD13 LEU A 28 -2.820 0.039 -10.621 1.00 5.40 H new ATOM 0 HD21 LEU A 28 -1.106 -1.566 -8.597 1.00 74.20 H new ATOM 0 HD22 LEU A 28 -2.497 -2.326 -9.406 1.00 74.20 H new ATOM 0 HD23 LEU A 28 -0.886 -3.074 -9.515 1.00 74.20 H new ATOM 458 N ASP A 29 -4.879 -1.404 -11.114 1.00 51.24 N ATOM 459 CA ASP A 29 -5.872 -0.339 -10.890 1.00 3.42 C ATOM 460 C ASP A 29 -5.762 0.132 -9.433 1.00 1.40 C ATOM 461 O ASP A 29 -5.047 -0.486 -8.627 1.00 22.22 O ATOM 462 CB ASP A 29 -7.289 -0.891 -11.189 1.00 30.14 C ATOM 463 CG ASP A 29 -8.422 0.145 -11.163 1.00 61.11 C ATOM 464 OD1 ASP A 29 -8.443 1.043 -12.037 1.00 1.42 O ATOM 465 OD2 ASP A 29 -9.314 0.049 -10.285 1.00 51.14 O ATOM 0 H ASP A 29 -4.849 -2.084 -10.355 1.00 51.24 H new ATOM 0 HA ASP A 29 -5.687 0.507 -11.552 1.00 3.42 H new ATOM 0 HB2 ASP A 29 -7.276 -1.364 -12.171 1.00 30.14 H new ATOM 0 HB3 ASP A 29 -7.517 -1.671 -10.462 1.00 30.14 H new ATOM 470 N ASP A 30 -6.460 1.226 -9.105 1.00 31.44 N ATOM 471 CA ASP A 30 -6.487 1.777 -7.736 1.00 53.32 C ATOM 472 C ASP A 30 -7.391 0.936 -6.814 1.00 60.43 C ATOM 473 O ASP A 30 -7.197 0.904 -5.601 1.00 15.20 O ATOM 474 CB ASP A 30 -6.947 3.263 -7.736 1.00 65.21 C ATOM 475 CG ASP A 30 -8.429 3.468 -8.109 1.00 15.43 C ATOM 476 OD1 ASP A 30 -8.852 2.990 -9.184 1.00 44.55 O ATOM 477 OD2 ASP A 30 -9.172 4.151 -7.360 1.00 34.43 O ATOM 0 H ASP A 30 -7.020 1.755 -9.773 1.00 31.44 H new ATOM 0 HA ASP A 30 -5.469 1.734 -7.348 1.00 53.32 H new ATOM 0 HB2 ASP A 30 -6.772 3.686 -6.747 1.00 65.21 H new ATOM 0 HB3 ASP A 30 -6.327 3.823 -8.436 1.00 65.21 H new ATOM 482 N GLN A 31 -8.389 0.276 -7.408 1.00 75.30 N ATOM 483 CA GLN A 31 -9.336 -0.606 -6.694 1.00 21.35 C ATOM 484 C GLN A 31 -9.090 -2.092 -7.040 1.00 1.13 C ATOM 485 O GLN A 31 -9.963 -2.942 -6.820 1.00 1.24 O ATOM 486 CB GLN A 31 -10.782 -0.146 -7.032 1.00 2.53 C ATOM 487 CG GLN A 31 -11.119 1.252 -6.478 1.00 30.11 C ATOM 488 CD GLN A 31 -12.491 1.800 -6.890 1.00 21.22 C ATOM 489 OE1 GLN A 31 -13.500 1.566 -6.218 1.00 32.55 O ATOM 490 NE2 GLN A 31 -12.531 2.548 -7.986 1.00 21.45 N ATOM 0 H GLN A 31 -8.570 0.335 -8.410 1.00 75.30 H new ATOM 0 HA GLN A 31 -9.184 -0.526 -5.618 1.00 21.35 H new ATOM 0 HB2 GLN A 31 -10.911 -0.142 -8.114 1.00 2.53 H new ATOM 0 HB3 GLN A 31 -11.490 -0.870 -6.629 1.00 2.53 H new ATOM 0 HG2 GLN A 31 -11.071 1.216 -5.390 1.00 30.11 H new ATOM 0 HG3 GLN A 31 -10.351 1.952 -6.808 1.00 30.11 H new ATOM 0 HE21 GLN A 31 -11.677 2.721 -8.517 1.00 21.45 H new ATOM 0 HE22 GLN A 31 -13.415 2.950 -8.297 1.00 21.45 H new ATOM 499 N THR A 32 -7.891 -2.401 -7.584 1.00 35.12 N ATOM 500 CA THR A 32 -7.401 -3.787 -7.694 1.00 63.32 C ATOM 501 C THR A 32 -7.167 -4.369 -6.278 1.00 21.01 C ATOM 502 O THR A 32 -6.386 -3.791 -5.505 1.00 71.42 O ATOM 503 CB THR A 32 -6.079 -3.871 -8.534 1.00 52.34 C ATOM 504 OG1 THR A 32 -6.361 -3.573 -9.899 1.00 42.13 O ATOM 505 CG2 THR A 32 -5.388 -5.256 -8.450 1.00 52.44 C ATOM 0 H THR A 32 -7.245 -1.703 -7.954 1.00 35.12 H new ATOM 0 HA THR A 32 -8.159 -4.373 -8.214 1.00 63.32 H new ATOM 0 HB THR A 32 -5.391 -3.141 -8.108 1.00 52.34 H new ATOM 0 HG1 THR A 32 -5.845 -4.172 -10.478 1.00 42.13 H new ATOM 0 HG21 THR A 32 -4.480 -5.247 -9.053 1.00 52.44 H new ATOM 0 HG22 THR A 32 -5.133 -5.473 -7.413 1.00 52.44 H new ATOM 0 HG23 THR A 32 -6.065 -6.024 -8.825 1.00 52.44 H new ATOM 513 N PRO A 33 -7.846 -5.509 -5.914 1.00 2.34 N ATOM 514 CA PRO A 33 -7.714 -6.120 -4.578 1.00 73.32 C ATOM 515 C PRO A 33 -6.329 -6.787 -4.395 1.00 52.32 C ATOM 516 O PRO A 33 -6.043 -7.848 -4.962 1.00 40.03 O ATOM 517 CB PRO A 33 -8.876 -7.137 -4.541 1.00 4.31 C ATOM 518 CG PRO A 33 -9.108 -7.510 -5.971 1.00 53.20 C ATOM 519 CD PRO A 33 -8.787 -6.277 -6.782 1.00 65.44 C ATOM 0 HA PRO A 33 -7.770 -5.399 -3.762 1.00 73.32 H new ATOM 0 HB2 PRO A 33 -8.618 -8.010 -3.942 1.00 4.31 H new ATOM 0 HB3 PRO A 33 -9.770 -6.699 -4.097 1.00 4.31 H new ATOM 0 HG2 PRO A 33 -8.472 -8.346 -6.264 1.00 53.20 H new ATOM 0 HG3 PRO A 33 -10.140 -7.823 -6.130 1.00 53.20 H new ATOM 0 HD2 PRO A 33 -8.329 -6.535 -7.737 1.00 65.44 H new ATOM 0 HD3 PRO A 33 -9.685 -5.701 -7.005 1.00 65.44 H new ATOM 527 N LEU A 34 -5.478 -6.143 -3.586 1.00 74.32 N ATOM 528 CA LEU A 34 -4.066 -6.521 -3.427 1.00 71.13 C ATOM 529 C LEU A 34 -3.927 -7.869 -2.667 1.00 53.31 C ATOM 530 O LEU A 34 -3.074 -8.694 -3.018 1.00 3.22 O ATOM 531 CB LEU A 34 -3.282 -5.386 -2.710 1.00 70.42 C ATOM 532 CG LEU A 34 -3.379 -3.950 -3.332 1.00 13.34 C ATOM 533 CD1 LEU A 34 -2.593 -2.917 -2.494 1.00 12.54 C ATOM 534 CD2 LEU A 34 -2.910 -3.914 -4.807 1.00 73.24 C ATOM 0 H LEU A 34 -5.751 -5.340 -3.019 1.00 74.32 H new ATOM 0 HA LEU A 34 -3.635 -6.662 -4.418 1.00 71.13 H new ATOM 0 HB2 LEU A 34 -3.631 -5.333 -1.679 1.00 70.42 H new ATOM 0 HB3 LEU A 34 -2.230 -5.670 -2.676 1.00 70.42 H new ATOM 0 HG LEU A 34 -4.435 -3.679 -3.316 1.00 13.34 H new ATOM 0 HD11 LEU A 34 -2.682 -1.933 -2.954 1.00 12.54 H new ATOM 0 HD12 LEU A 34 -3.000 -2.883 -1.483 1.00 12.54 H new ATOM 0 HD13 LEU A 34 -1.543 -3.205 -2.453 1.00 12.54 H new ATOM 0 HD21 LEU A 34 -2.997 -2.898 -5.192 1.00 73.24 H new ATOM 0 HD22 LEU A 34 -1.871 -4.237 -4.866 1.00 73.24 H new ATOM 0 HD23 LEU A 34 -3.532 -4.582 -5.403 1.00 73.24 H new ATOM 546 N LEU A 35 -4.776 -8.097 -1.635 1.00 21.14 N ATOM 547 CA LEU A 35 -4.810 -9.395 -0.890 1.00 1.32 C ATOM 548 C LEU A 35 -5.238 -10.537 -1.828 1.00 61.43 C ATOM 549 O LEU A 35 -4.683 -11.642 -1.775 1.00 3.32 O ATOM 550 CB LEU A 35 -5.786 -9.377 0.333 1.00 33.04 C ATOM 551 CG LEU A 35 -5.380 -8.541 1.594 1.00 43.14 C ATOM 552 CD1 LEU A 35 -4.037 -9.008 2.229 1.00 74.34 C ATOM 553 CD2 LEU A 35 -5.366 -7.038 1.286 1.00 71.51 C ATOM 0 H LEU A 35 -5.446 -7.407 -1.295 1.00 21.14 H new ATOM 0 HA LEU A 35 -3.799 -9.552 -0.515 1.00 1.32 H new ATOM 0 HB2 LEU A 35 -6.750 -9.006 -0.016 1.00 33.04 H new ATOM 0 HB3 LEU A 35 -5.938 -10.408 0.652 1.00 33.04 H new ATOM 0 HG LEU A 35 -6.149 -8.724 2.345 1.00 43.14 H new ATOM 0 HD11 LEU A 35 -3.811 -8.390 3.098 1.00 74.34 H new ATOM 0 HD12 LEU A 35 -4.123 -10.050 2.537 1.00 74.34 H new ATOM 0 HD13 LEU A 35 -3.235 -8.911 1.497 1.00 74.34 H new ATOM 0 HD21 LEU A 35 -5.081 -6.486 2.181 1.00 71.51 H new ATOM 0 HD22 LEU A 35 -4.648 -6.836 0.491 1.00 71.51 H new ATOM 0 HD23 LEU A 35 -6.359 -6.723 0.967 1.00 71.51 H new ATOM 565 N GLU A 36 -6.235 -10.240 -2.684 1.00 41.54 N ATOM 566 CA GLU A 36 -6.871 -11.251 -3.552 1.00 65.03 C ATOM 567 C GLU A 36 -5.899 -11.750 -4.631 1.00 23.44 C ATOM 568 O GLU A 36 -5.928 -12.916 -5.034 1.00 54.43 O ATOM 569 CB GLU A 36 -8.154 -10.681 -4.204 1.00 21.11 C ATOM 570 CG GLU A 36 -9.045 -11.723 -4.916 1.00 54.53 C ATOM 571 CD GLU A 36 -9.699 -12.733 -3.948 1.00 33.31 C ATOM 572 OE1 GLU A 36 -9.014 -13.674 -3.484 1.00 33.13 O ATOM 573 OE2 GLU A 36 -10.902 -12.581 -3.636 1.00 41.32 O ATOM 0 H GLU A 36 -6.620 -9.302 -2.793 1.00 41.54 H new ATOM 0 HA GLU A 36 -7.145 -12.101 -2.927 1.00 65.03 H new ATOM 0 HB2 GLU A 36 -8.745 -10.186 -3.434 1.00 21.11 H new ATOM 0 HB3 GLU A 36 -7.867 -9.917 -4.926 1.00 21.11 H new ATOM 0 HG2 GLU A 36 -9.827 -11.204 -5.470 1.00 54.53 H new ATOM 0 HG3 GLU A 36 -8.444 -12.266 -5.645 1.00 54.53 H new ATOM 580 N TRP A 37 -5.036 -10.839 -5.078 1.00 5.12 N ATOM 581 CA TRP A 37 -4.008 -11.123 -6.100 1.00 52.32 C ATOM 582 C TRP A 37 -2.691 -11.639 -5.470 1.00 64.23 C ATOM 583 O TRP A 37 -1.723 -11.895 -6.193 1.00 72.12 O ATOM 584 CB TRP A 37 -3.767 -9.843 -6.938 1.00 1.43 C ATOM 585 CG TRP A 37 -4.919 -9.472 -7.853 1.00 12.34 C ATOM 586 CD1 TRP A 37 -6.263 -9.584 -7.605 1.00 15.51 C ATOM 587 CD2 TRP A 37 -4.814 -8.920 -9.171 1.00 13.32 C ATOM 588 NE1 TRP A 37 -6.981 -9.158 -8.682 1.00 64.43 N ATOM 589 CE2 TRP A 37 -6.118 -8.739 -9.653 1.00 2.32 C ATOM 590 CE3 TRP A 37 -3.740 -8.573 -9.990 1.00 63.41 C ATOM 591 CZ2 TRP A 37 -6.379 -8.231 -10.916 1.00 20.20 C ATOM 592 CZ3 TRP A 37 -4.003 -8.053 -11.244 1.00 41.15 C ATOM 593 CH2 TRP A 37 -5.317 -7.890 -11.694 1.00 71.31 C ATOM 0 H TRP A 37 -5.023 -9.875 -4.745 1.00 5.12 H new ATOM 0 HA TRP A 37 -4.369 -11.921 -6.749 1.00 52.32 H new ATOM 0 HB2 TRP A 37 -3.573 -9.011 -6.262 1.00 1.43 H new ATOM 0 HB3 TRP A 37 -2.869 -9.980 -7.540 1.00 1.43 H new ATOM 0 HD1 TRP A 37 -6.692 -9.957 -6.687 1.00 15.51 H new ATOM 0 HE1 TRP A 37 -7.999 -9.153 -8.751 1.00 64.43 H new ATOM 0 HE3 TRP A 37 -2.723 -8.708 -9.652 1.00 63.41 H new ATOM 0 HZ2 TRP A 37 -7.392 -8.110 -11.270 1.00 20.20 H new ATOM 0 HZ3 TRP A 37 -3.182 -7.769 -11.885 1.00 41.15 H new ATOM 0 HH2 TRP A 37 -5.492 -7.485 -12.680 1.00 71.31 H new ATOM 604 N GLY A 38 -2.662 -11.777 -4.128 1.00 50.45 N ATOM 605 CA GLY A 38 -1.473 -12.283 -3.409 1.00 60.45 C ATOM 606 C GLY A 38 -0.267 -11.342 -3.484 1.00 5.45 C ATOM 607 O GLY A 38 0.881 -11.767 -3.337 1.00 12.23 O ATOM 0 H GLY A 38 -3.448 -11.545 -3.520 1.00 50.45 H new ATOM 0 HA2 GLY A 38 -1.733 -12.445 -2.363 1.00 60.45 H new ATOM 0 HA3 GLY A 38 -1.194 -13.252 -3.822 1.00 60.45 H new ATOM 611 N ILE A 39 -0.565 -10.058 -3.720 1.00 53.40 N ATOM 612 CA ILE A 39 0.417 -8.961 -3.796 1.00 30.42 C ATOM 613 C ILE A 39 1.035 -8.701 -2.413 1.00 65.20 C ATOM 614 O ILE A 39 2.245 -8.476 -2.277 1.00 3.32 O ATOM 615 CB ILE A 39 -0.295 -7.670 -4.348 1.00 3.42 C ATOM 616 CG1 ILE A 39 -0.745 -7.909 -5.835 1.00 54.12 C ATOM 617 CG2 ILE A 39 0.580 -6.413 -4.195 1.00 34.23 C ATOM 618 CD1 ILE A 39 -1.501 -6.769 -6.494 1.00 41.00 C ATOM 0 H ILE A 39 -1.523 -9.741 -3.868 1.00 53.40 H new ATOM 0 HA ILE A 39 1.225 -9.237 -4.474 1.00 30.42 H new ATOM 0 HB ILE A 39 -1.185 -7.482 -3.747 1.00 3.42 H new ATOM 0 HG12 ILE A 39 0.142 -8.123 -6.432 1.00 54.12 H new ATOM 0 HG13 ILE A 39 -1.372 -8.800 -5.865 1.00 54.12 H new ATOM 0 HG21 ILE A 39 0.047 -5.548 -4.590 1.00 34.23 H new ATOM 0 HG22 ILE A 39 0.803 -6.251 -3.140 1.00 34.23 H new ATOM 0 HG23 ILE A 39 1.510 -6.548 -4.746 1.00 34.23 H new ATOM 0 HD11 ILE A 39 -1.760 -7.047 -7.516 1.00 41.00 H new ATOM 0 HD12 ILE A 39 -2.412 -6.564 -5.932 1.00 41.00 H new ATOM 0 HD13 ILE A 39 -0.875 -5.877 -6.508 1.00 41.00 H new ATOM 630 N LEU A 40 0.168 -8.741 -1.397 1.00 11.31 N ATOM 631 CA LEU A 40 0.551 -8.604 0.008 1.00 31.31 C ATOM 632 C LEU A 40 -0.259 -9.572 0.882 1.00 15.20 C ATOM 633 O LEU A 40 -1.412 -9.890 0.568 1.00 10.23 O ATOM 634 CB LEU A 40 0.436 -7.116 0.481 1.00 14.30 C ATOM 635 CG LEU A 40 -0.672 -6.222 -0.146 1.00 21.13 C ATOM 636 CD1 LEU A 40 -2.049 -6.619 0.363 1.00 3.41 C ATOM 637 CD2 LEU A 40 -0.407 -4.715 0.099 1.00 41.51 C ATOM 0 H LEU A 40 -0.835 -8.872 -1.531 1.00 11.31 H new ATOM 0 HA LEU A 40 1.600 -8.879 0.116 1.00 31.31 H new ATOM 0 HB2 LEU A 40 0.286 -7.122 1.561 1.00 14.30 H new ATOM 0 HB3 LEU A 40 1.396 -6.634 0.295 1.00 14.30 H new ATOM 0 HG LEU A 40 -0.645 -6.386 -1.223 1.00 21.13 H new ATOM 0 HD11 LEU A 40 -2.804 -5.978 -0.092 1.00 3.41 H new ATOM 0 HD12 LEU A 40 -2.249 -7.658 0.099 1.00 3.41 H new ATOM 0 HD13 LEU A 40 -2.083 -6.507 1.447 1.00 3.41 H new ATOM 0 HD21 LEU A 40 -1.204 -4.127 -0.355 1.00 41.51 H new ATOM 0 HD22 LEU A 40 -0.378 -4.520 1.171 1.00 41.51 H new ATOM 0 HD23 LEU A 40 0.548 -4.436 -0.346 1.00 41.51 H new ATOM 649 N ASN A 41 0.387 -10.060 1.958 1.00 21.24 N ATOM 650 CA ASN A 41 -0.195 -11.003 2.931 1.00 63.44 C ATOM 651 C ASN A 41 0.730 -11.160 4.139 1.00 75.25 C ATOM 652 O ASN A 41 0.312 -10.944 5.274 1.00 64.13 O ATOM 653 CB ASN A 41 -0.480 -12.379 2.277 1.00 72.35 C ATOM 654 CG ASN A 41 -0.974 -13.426 3.278 1.00 3.14 C ATOM 655 OD1 ASN A 41 -0.190 -14.230 3.786 1.00 20.42 O ATOM 656 ND2 ASN A 41 -2.258 -13.394 3.609 1.00 14.23 N ATOM 0 H ASN A 41 1.349 -9.804 2.180 1.00 21.24 H new ATOM 0 HA ASN A 41 -1.146 -10.594 3.272 1.00 63.44 H new ATOM 0 HB2 ASN A 41 -1.226 -12.254 1.492 1.00 72.35 H new ATOM 0 HB3 ASN A 41 0.429 -12.743 1.798 1.00 72.35 H new ATOM 0 HD21 ASN A 41 -2.622 -14.047 4.302 1.00 14.23 H new ATOM 0 HD22 ASN A 41 -2.881 -12.716 3.170 1.00 14.23 H new ATOM 663 N SER A 42 2.001 -11.528 3.899 1.00 51.40 N ATOM 664 CA SER A 42 2.973 -11.743 4.993 1.00 25.42 C ATOM 665 C SER A 42 4.378 -11.306 4.571 1.00 42.10 C ATOM 666 O SER A 42 4.709 -10.132 4.719 1.00 34.33 O ATOM 667 CB SER A 42 2.934 -13.215 5.462 1.00 31.50 C ATOM 668 OG SER A 42 3.955 -13.530 6.421 1.00 25.12 O ATOM 0 H SER A 42 2.380 -11.683 2.965 1.00 51.40 H new ATOM 0 HA SER A 42 2.692 -11.120 5.842 1.00 25.42 H new ATOM 0 HB2 SER A 42 1.957 -13.425 5.898 1.00 31.50 H new ATOM 0 HB3 SER A 42 3.043 -13.868 4.596 1.00 31.50 H new ATOM 0 HG SER A 42 3.880 -14.472 6.681 1.00 25.12 H new ATOM 673 N MET A 43 5.175 -12.243 4.005 1.00 52.32 N ATOM 674 CA MET A 43 6.555 -11.993 3.512 1.00 65.35 C ATOM 675 C MET A 43 6.643 -10.767 2.581 1.00 75.21 C ATOM 676 O MET A 43 7.678 -10.126 2.473 1.00 74.03 O ATOM 677 CB MET A 43 7.066 -13.253 2.765 1.00 45.23 C ATOM 678 CG MET A 43 6.088 -13.774 1.698 1.00 21.24 C ATOM 679 SD MET A 43 4.735 -14.729 2.431 1.00 43.05 S ATOM 680 CE MET A 43 3.299 -14.142 1.529 1.00 25.21 C ATOM 0 H MET A 43 4.875 -13.209 3.875 1.00 52.32 H new ATOM 0 HA MET A 43 7.179 -11.780 4.380 1.00 65.35 H new ATOM 0 HB2 MET A 43 8.020 -13.022 2.290 1.00 45.23 H new ATOM 0 HB3 MET A 43 7.254 -14.044 3.491 1.00 45.23 H new ATOM 0 HG2 MET A 43 5.678 -12.932 1.140 1.00 21.24 H new ATOM 0 HG3 MET A 43 6.627 -14.397 0.985 1.00 21.24 H new ATOM 0 HE1 MET A 43 2.619 -13.638 2.216 1.00 25.21 H new ATOM 0 HE2 MET A 43 3.616 -13.444 0.754 1.00 25.21 H new ATOM 0 HE3 MET A 43 2.788 -14.987 1.068 1.00 25.21 H new ATOM 690 N ASN A 44 5.532 -10.465 1.924 1.00 50.00 N ATOM 691 CA ASN A 44 5.417 -9.386 0.930 1.00 43.12 C ATOM 692 C ASN A 44 4.723 -8.123 1.524 1.00 45.11 C ATOM 693 O ASN A 44 5.006 -7.010 1.095 1.00 2.13 O ATOM 694 CB ASN A 44 4.675 -9.940 -0.331 1.00 11.44 C ATOM 695 CG ASN A 44 3.371 -10.713 -0.041 1.00 2.53 C ATOM 696 OD1 ASN A 44 2.955 -10.867 1.112 1.00 13.40 O ATOM 697 ND2 ASN A 44 2.708 -11.198 -1.087 1.00 42.55 N ATOM 0 H ASN A 44 4.658 -10.972 2.065 1.00 50.00 H new ATOM 0 HA ASN A 44 6.413 -9.058 0.633 1.00 43.12 H new ATOM 0 HB2 ASN A 44 4.444 -9.105 -0.992 1.00 11.44 H new ATOM 0 HB3 ASN A 44 5.355 -10.597 -0.873 1.00 11.44 H new ATOM 0 HD21 ASN A 44 1.837 -11.709 -0.946 1.00 42.55 H new ATOM 0 HD22 ASN A 44 3.071 -11.059 -2.030 1.00 42.55 H new ATOM 704 N ILE A 45 3.864 -8.295 2.559 1.00 62.31 N ATOM 705 CA ILE A 45 3.083 -7.161 3.142 1.00 55.32 C ATOM 706 C ILE A 45 3.962 -6.237 4.004 1.00 31.31 C ATOM 707 O ILE A 45 3.678 -5.043 4.155 1.00 53.34 O ATOM 708 CB ILE A 45 1.842 -7.670 3.978 1.00 33.34 C ATOM 709 CG1 ILE A 45 0.719 -6.584 4.073 1.00 21.12 C ATOM 710 CG2 ILE A 45 2.227 -8.153 5.403 1.00 53.23 C ATOM 711 CD1 ILE A 45 -0.638 -7.157 4.439 1.00 63.21 C ATOM 0 H ILE A 45 3.691 -9.195 3.007 1.00 62.31 H new ATOM 0 HA ILE A 45 2.711 -6.581 2.298 1.00 55.32 H new ATOM 0 HB ILE A 45 1.457 -8.530 3.430 1.00 33.34 H new ATOM 0 HG12 ILE A 45 1.004 -5.840 4.816 1.00 21.12 H new ATOM 0 HG13 ILE A 45 0.642 -6.066 3.117 1.00 21.12 H new ATOM 0 HG21 ILE A 45 1.333 -8.490 5.927 1.00 53.23 H new ATOM 0 HG22 ILE A 45 2.936 -8.977 5.329 1.00 53.23 H new ATOM 0 HG23 ILE A 45 2.683 -7.331 5.955 1.00 53.23 H new ATOM 0 HD11 ILE A 45 -1.371 -6.352 4.488 1.00 63.21 H new ATOM 0 HD12 ILE A 45 -0.943 -7.880 3.683 1.00 63.21 H new ATOM 0 HD13 ILE A 45 -0.575 -7.650 5.409 1.00 63.21 H new ATOM 723 N VAL A 46 5.034 -6.818 4.561 1.00 3.52 N ATOM 724 CA VAL A 46 5.968 -6.108 5.454 1.00 40.03 C ATOM 725 C VAL A 46 6.849 -5.122 4.650 1.00 15.43 C ATOM 726 O VAL A 46 7.382 -4.145 5.196 1.00 64.43 O ATOM 727 CB VAL A 46 6.820 -7.132 6.297 1.00 62.22 C ATOM 728 CG1 VAL A 46 7.636 -6.424 7.402 1.00 52.22 C ATOM 729 CG2 VAL A 46 5.910 -8.214 6.925 1.00 51.05 C ATOM 0 H VAL A 46 5.281 -7.796 4.406 1.00 3.52 H new ATOM 0 HA VAL A 46 5.395 -5.513 6.165 1.00 40.03 H new ATOM 0 HB VAL A 46 7.521 -7.609 5.612 1.00 62.22 H new ATOM 0 HG11 VAL A 46 8.210 -7.163 7.961 1.00 52.22 H new ATOM 0 HG12 VAL A 46 8.317 -5.705 6.947 1.00 52.22 H new ATOM 0 HG13 VAL A 46 6.958 -5.904 8.079 1.00 52.22 H new ATOM 0 HG21 VAL A 46 6.518 -8.910 7.502 1.00 51.05 H new ATOM 0 HG22 VAL A 46 5.180 -7.740 7.581 1.00 51.05 H new ATOM 0 HG23 VAL A 46 5.390 -8.755 6.135 1.00 51.05 H new ATOM 739 N LYS A 47 6.948 -5.379 3.330 1.00 72.43 N ATOM 740 CA LYS A 47 7.604 -4.474 2.361 1.00 72.21 C ATOM 741 C LYS A 47 6.831 -3.147 2.244 1.00 21.04 C ATOM 742 O LYS A 47 7.434 -2.100 2.027 1.00 43.44 O ATOM 743 CB LYS A 47 7.756 -5.148 0.961 1.00 32.25 C ATOM 744 CG LYS A 47 8.991 -6.068 0.828 1.00 22.33 C ATOM 745 CD LYS A 47 8.962 -7.267 1.799 1.00 5.41 C ATOM 746 CE LYS A 47 10.228 -8.136 1.705 1.00 33.21 C ATOM 747 NZ LYS A 47 10.447 -8.652 0.330 1.00 24.24 N ATOM 0 H LYS A 47 6.573 -6.226 2.902 1.00 72.43 H new ATOM 0 HA LYS A 47 8.605 -4.259 2.736 1.00 72.21 H new ATOM 0 HB2 LYS A 47 6.859 -5.731 0.752 1.00 32.25 H new ATOM 0 HB3 LYS A 47 7.814 -4.369 0.200 1.00 32.25 H new ATOM 0 HG2 LYS A 47 9.052 -6.439 -0.195 1.00 22.33 H new ATOM 0 HG3 LYS A 47 9.893 -5.483 1.009 1.00 22.33 H new ATOM 0 HD2 LYS A 47 8.853 -6.900 2.820 1.00 5.41 H new ATOM 0 HD3 LYS A 47 8.087 -7.882 1.585 1.00 5.41 H new ATOM 0 HE2 LYS A 47 11.094 -7.550 2.015 1.00 33.21 H new ATOM 0 HE3 LYS A 47 10.145 -8.973 2.398 1.00 33.21 H new ATOM 0 HZ1 LYS A 47 11.228 -9.339 0.337 1.00 24.24 H new ATOM 0 HZ2 LYS A 47 9.580 -9.117 -0.008 1.00 24.24 H new ATOM 0 HZ3 LYS A 47 10.686 -7.862 -0.303 1.00 24.24 H new ATOM 761 N LEU A 48 5.494 -3.207 2.398 1.00 50.44 N ATOM 762 CA LEU A 48 4.631 -1.999 2.393 1.00 2.24 C ATOM 763 C LEU A 48 4.802 -1.201 3.694 1.00 64.53 C ATOM 764 O LEU A 48 4.747 0.027 3.674 1.00 2.41 O ATOM 765 CB LEU A 48 3.131 -2.354 2.175 1.00 52.13 C ATOM 766 CG LEU A 48 2.722 -2.770 0.720 1.00 53.54 C ATOM 767 CD1 LEU A 48 3.084 -1.660 -0.313 1.00 23.41 C ATOM 768 CD2 LEU A 48 3.322 -4.141 0.309 1.00 2.43 C ATOM 0 H LEU A 48 4.982 -4.080 2.528 1.00 50.44 H new ATOM 0 HA LEU A 48 4.951 -1.382 1.553 1.00 2.24 H new ATOM 0 HB2 LEU A 48 2.870 -3.169 2.850 1.00 52.13 H new ATOM 0 HB3 LEU A 48 2.529 -1.493 2.467 1.00 52.13 H new ATOM 0 HG LEU A 48 1.638 -2.886 0.719 1.00 53.54 H new ATOM 0 HD11 LEU A 48 2.787 -1.981 -1.311 1.00 23.41 H new ATOM 0 HD12 LEU A 48 2.559 -0.739 -0.057 1.00 23.41 H new ATOM 0 HD13 LEU A 48 4.159 -1.482 -0.294 1.00 23.41 H new ATOM 0 HD21 LEU A 48 3.010 -4.385 -0.707 1.00 2.43 H new ATOM 0 HD22 LEU A 48 4.410 -4.090 0.352 1.00 2.43 H new ATOM 0 HD23 LEU A 48 2.968 -4.913 0.993 1.00 2.43 H new ATOM 780 N MET A 49 5.031 -1.915 4.809 1.00 54.15 N ATOM 781 CA MET A 49 5.250 -1.281 6.130 1.00 24.00 C ATOM 782 C MET A 49 6.522 -0.437 6.090 1.00 24.03 C ATOM 783 O MET A 49 6.473 0.758 6.349 1.00 53.43 O ATOM 784 CB MET A 49 5.366 -2.331 7.267 1.00 31.12 C ATOM 785 CG MET A 49 4.211 -3.311 7.363 1.00 61.53 C ATOM 786 SD MET A 49 4.526 -4.559 8.627 1.00 62.24 S ATOM 787 CE MET A 49 3.386 -5.839 8.141 1.00 15.32 C ATOM 0 H MET A 49 5.070 -2.934 4.827 1.00 54.15 H new ATOM 0 HA MET A 49 4.385 -0.653 6.341 1.00 24.00 H new ATOM 0 HB2 MET A 49 6.289 -2.894 7.127 1.00 31.12 H new ATOM 0 HB3 MET A 49 5.455 -1.805 8.218 1.00 31.12 H new ATOM 0 HG2 MET A 49 3.292 -2.774 7.598 1.00 61.53 H new ATOM 0 HG3 MET A 49 4.059 -3.795 6.398 1.00 61.53 H new ATOM 0 HE1 MET A 49 2.967 -6.310 9.030 1.00 15.32 H new ATOM 0 HE2 MET A 49 2.582 -5.404 7.547 1.00 15.32 H new ATOM 0 HE3 MET A 49 3.911 -6.588 7.547 1.00 15.32 H new ATOM 797 N VAL A 50 7.646 -1.084 5.710 1.00 30.23 N ATOM 798 CA VAL A 50 8.979 -0.433 5.630 1.00 3.00 C ATOM 799 C VAL A 50 9.021 0.640 4.514 1.00 41.55 C ATOM 800 O VAL A 50 9.757 1.633 4.631 1.00 62.13 O ATOM 801 CB VAL A 50 10.143 -1.488 5.425 1.00 2.01 C ATOM 802 CG1 VAL A 50 10.039 -2.223 4.072 1.00 30.01 C ATOM 803 CG2 VAL A 50 11.546 -0.848 5.588 1.00 33.30 C ATOM 0 H VAL A 50 7.658 -2.070 5.450 1.00 30.23 H new ATOM 0 HA VAL A 50 9.142 0.062 6.588 1.00 3.00 H new ATOM 0 HB VAL A 50 10.017 -2.229 6.215 1.00 2.01 H new ATOM 0 HG11 VAL A 50 10.860 -2.935 3.980 1.00 30.01 H new ATOM 0 HG12 VAL A 50 9.089 -2.755 4.019 1.00 30.01 H new ATOM 0 HG13 VAL A 50 10.095 -1.499 3.259 1.00 30.01 H new ATOM 0 HG21 VAL A 50 12.312 -1.609 5.439 1.00 33.30 H new ATOM 0 HG22 VAL A 50 11.673 -0.056 4.850 1.00 33.30 H new ATOM 0 HG23 VAL A 50 11.641 -0.429 6.590 1.00 33.30 H new ATOM 813 N TYR A 51 8.204 0.437 3.450 1.00 61.31 N ATOM 814 CA TYR A 51 8.105 1.399 2.333 1.00 53.01 C ATOM 815 C TYR A 51 7.580 2.730 2.861 1.00 34.33 C ATOM 816 O TYR A 51 8.288 3.711 2.861 1.00 15.34 O ATOM 817 CB TYR A 51 7.170 0.903 1.194 1.00 75.34 C ATOM 818 CG TYR A 51 7.244 1.785 -0.071 1.00 33.45 C ATOM 819 CD1 TYR A 51 8.365 1.734 -0.906 1.00 63.22 C ATOM 820 CD2 TYR A 51 6.215 2.666 -0.420 1.00 52.42 C ATOM 821 CE1 TYR A 51 8.453 2.523 -2.038 1.00 11.44 C ATOM 822 CE2 TYR A 51 6.304 3.451 -1.551 1.00 12.32 C ATOM 823 CZ TYR A 51 7.416 3.378 -2.354 1.00 2.04 C ATOM 824 OH TYR A 51 7.496 4.172 -3.474 1.00 42.31 O ATOM 0 H TYR A 51 7.607 -0.384 3.346 1.00 61.31 H new ATOM 0 HA TYR A 51 9.104 1.510 1.912 1.00 53.01 H new ATOM 0 HB2 TYR A 51 7.436 -0.121 0.933 1.00 75.34 H new ATOM 0 HB3 TYR A 51 6.142 0.883 1.557 1.00 75.34 H new ATOM 0 HD1 TYR A 51 9.177 1.066 -0.662 1.00 63.22 H new ATOM 0 HD2 TYR A 51 5.337 2.733 0.206 1.00 52.42 H new ATOM 0 HE1 TYR A 51 9.327 2.471 -2.671 1.00 11.44 H new ATOM 0 HE2 TYR A 51 5.498 4.124 -1.805 1.00 12.32 H new ATOM 0 HH TYR A 51 7.620 5.106 -3.205 1.00 42.31 H new ATOM 834 N ILE A 52 6.345 2.686 3.368 1.00 33.33 N ATOM 835 CA ILE A 52 5.568 3.862 3.819 1.00 34.31 C ATOM 836 C ILE A 52 6.220 4.518 5.066 1.00 70.54 C ATOM 837 O ILE A 52 6.136 5.736 5.269 1.00 43.12 O ATOM 838 CB ILE A 52 4.090 3.393 4.096 1.00 15.21 C ATOM 839 CG1 ILE A 52 3.473 2.773 2.790 1.00 40.52 C ATOM 840 CG2 ILE A 52 3.210 4.536 4.634 1.00 23.52 C ATOM 841 CD1 ILE A 52 2.199 1.973 3.002 1.00 63.12 C ATOM 0 H ILE A 52 5.836 1.809 3.483 1.00 33.33 H new ATOM 0 HA ILE A 52 5.560 4.630 3.046 1.00 34.31 H new ATOM 0 HB ILE A 52 4.121 2.629 4.873 1.00 15.21 H new ATOM 0 HG12 ILE A 52 3.266 3.579 2.086 1.00 40.52 H new ATOM 0 HG13 ILE A 52 4.218 2.127 2.325 1.00 40.52 H new ATOM 0 HG21 ILE A 52 2.200 4.166 4.810 1.00 23.52 H new ATOM 0 HG22 ILE A 52 3.628 4.908 5.569 1.00 23.52 H new ATOM 0 HG23 ILE A 52 3.178 5.345 3.904 1.00 23.52 H new ATOM 0 HD11 ILE A 52 1.849 1.586 2.045 1.00 63.12 H new ATOM 0 HD12 ILE A 52 2.399 1.142 3.678 1.00 63.12 H new ATOM 0 HD13 ILE A 52 1.433 2.616 3.435 1.00 63.12 H new ATOM 853 N ARG A 53 6.891 3.669 5.860 1.00 71.54 N ATOM 854 CA ARG A 53 7.716 4.067 7.033 1.00 13.45 C ATOM 855 C ARG A 53 8.824 5.072 6.658 1.00 53.02 C ATOM 856 O ARG A 53 9.129 5.988 7.424 1.00 62.24 O ATOM 857 CB ARG A 53 8.327 2.787 7.648 1.00 45.02 C ATOM 858 CG ARG A 53 9.228 2.973 8.885 1.00 14.00 C ATOM 859 CD ARG A 53 9.678 1.615 9.458 1.00 54.41 C ATOM 860 NE ARG A 53 10.453 1.767 10.701 1.00 3.20 N ATOM 861 CZ ARG A 53 10.158 1.188 11.871 1.00 63.04 C ATOM 862 NH1 ARG A 53 9.098 0.396 12.003 1.00 24.12 N ATOM 863 NH2 ARG A 53 10.933 1.436 12.923 1.00 75.12 N ATOM 0 H ARG A 53 6.881 2.660 5.708 1.00 71.54 H new ATOM 0 HA ARG A 53 7.077 4.574 7.756 1.00 13.45 H new ATOM 0 HB2 ARG A 53 7.511 2.117 7.920 1.00 45.02 H new ATOM 0 HB3 ARG A 53 8.909 2.283 6.876 1.00 45.02 H new ATOM 0 HG2 ARG A 53 10.103 3.564 8.615 1.00 14.00 H new ATOM 0 HG3 ARG A 53 8.689 3.532 9.650 1.00 14.00 H new ATOM 0 HD2 ARG A 53 8.802 0.995 9.651 1.00 54.41 H new ATOM 0 HD3 ARG A 53 10.282 1.091 8.717 1.00 54.41 H new ATOM 0 HE ARG A 53 11.281 2.361 10.668 1.00 3.20 H new ATOM 0 HH11 ARG A 53 8.491 0.219 11.203 1.00 24.12 H new ATOM 0 HH12 ARG A 53 8.892 -0.035 12.904 1.00 24.12 H new ATOM 0 HH21 ARG A 53 11.736 2.058 12.830 1.00 75.12 H new ATOM 0 HH22 ARG A 53 10.724 1.004 13.823 1.00 75.12 H new ATOM 877 N ASP A 54 9.421 4.864 5.486 1.00 74.12 N ATOM 878 CA ASP A 54 10.463 5.749 4.911 1.00 34.22 C ATOM 879 C ASP A 54 9.800 6.882 4.092 1.00 52.41 C ATOM 880 O ASP A 54 10.020 8.073 4.335 1.00 55.20 O ATOM 881 CB ASP A 54 11.394 4.880 4.015 1.00 23.11 C ATOM 882 CG ASP A 54 12.494 5.672 3.292 1.00 11.11 C ATOM 883 OD1 ASP A 54 13.577 5.889 3.883 1.00 12.23 O ATOM 884 OD2 ASP A 54 12.281 6.077 2.124 1.00 44.22 O ATOM 0 H ASP A 54 9.199 4.066 4.890 1.00 74.12 H new ATOM 0 HA ASP A 54 11.051 6.215 5.702 1.00 34.22 H new ATOM 0 HB2 ASP A 54 11.861 4.113 4.633 1.00 23.11 H new ATOM 0 HB3 ASP A 54 10.786 4.364 3.272 1.00 23.11 H new ATOM 889 N GLU A 55 8.931 6.437 3.183 1.00 13.33 N ATOM 890 CA GLU A 55 8.276 7.230 2.130 1.00 73.25 C ATOM 891 C GLU A 55 7.458 8.411 2.689 1.00 34.34 C ATOM 892 O GLU A 55 7.726 9.566 2.360 1.00 31.03 O ATOM 893 CB GLU A 55 7.380 6.259 1.317 1.00 34.15 C ATOM 894 CG GLU A 55 6.590 6.867 0.156 1.00 44.50 C ATOM 895 CD GLU A 55 7.464 7.480 -0.959 1.00 4.02 C ATOM 896 OE1 GLU A 55 7.909 6.733 -1.853 1.00 42.24 O ATOM 897 OE2 GLU A 55 7.684 8.711 -0.956 1.00 32.33 O ATOM 0 H GLU A 55 8.646 5.458 3.157 1.00 13.33 H new ATOM 0 HA GLU A 55 9.036 7.687 1.496 1.00 73.25 H new ATOM 0 HB2 GLU A 55 8.011 5.464 0.920 1.00 34.15 H new ATOM 0 HB3 GLU A 55 6.673 5.792 2.003 1.00 34.15 H new ATOM 0 HG2 GLU A 55 5.956 6.095 -0.280 1.00 44.50 H new ATOM 0 HG3 GLU A 55 5.928 7.639 0.548 1.00 44.50 H new ATOM 904 N MET A 56 6.456 8.100 3.514 1.00 72.11 N ATOM 905 CA MET A 56 5.557 9.106 4.137 1.00 74.24 C ATOM 906 C MET A 56 5.837 9.235 5.647 1.00 30.13 C ATOM 907 O MET A 56 5.096 9.916 6.367 1.00 3.03 O ATOM 908 CB MET A 56 4.079 8.718 3.844 1.00 2.50 C ATOM 909 CG MET A 56 3.602 9.104 2.434 1.00 43.43 C ATOM 910 SD MET A 56 2.075 8.262 1.958 1.00 20.04 S ATOM 911 CE MET A 56 2.692 6.625 1.542 1.00 44.33 C ATOM 0 H MET A 56 6.234 7.140 3.778 1.00 72.11 H new ATOM 0 HA MET A 56 5.747 10.088 3.703 1.00 74.24 H new ATOM 0 HB2 MET A 56 3.963 7.642 3.974 1.00 2.50 H new ATOM 0 HB3 MET A 56 3.434 9.199 4.580 1.00 2.50 H new ATOM 0 HG2 MET A 56 3.446 10.182 2.390 1.00 43.43 H new ATOM 0 HG3 MET A 56 4.384 8.865 1.713 1.00 43.43 H new ATOM 0 HE1 MET A 56 1.927 5.881 1.763 1.00 44.33 H new ATOM 0 HE2 MET A 56 2.938 6.588 0.481 1.00 44.33 H new ATOM 0 HE3 MET A 56 3.585 6.413 2.130 1.00 44.33 H new ATOM 921 N GLY A 57 6.918 8.577 6.110 1.00 61.15 N ATOM 922 CA GLY A 57 7.388 8.675 7.496 1.00 64.13 C ATOM 923 C GLY A 57 6.442 8.056 8.521 1.00 20.23 C ATOM 924 O GLY A 57 6.441 8.459 9.690 1.00 33.35 O ATOM 0 H GLY A 57 7.487 7.963 5.528 1.00 61.15 H new ATOM 0 HA2 GLY A 57 8.360 8.188 7.574 1.00 64.13 H new ATOM 0 HA3 GLY A 57 7.538 9.726 7.744 1.00 64.13 H new ATOM 928 N VAL A 58 5.645 7.065 8.090 1.00 1.10 N ATOM 929 CA VAL A 58 4.632 6.430 8.952 1.00 55.24 C ATOM 930 C VAL A 58 4.615 4.899 8.739 1.00 53.43 C ATOM 931 O VAL A 58 4.332 4.415 7.645 1.00 21.35 O ATOM 932 CB VAL A 58 3.207 7.085 8.715 1.00 3.15 C ATOM 933 CG1 VAL A 58 2.820 7.097 7.220 1.00 62.41 C ATOM 934 CG2 VAL A 58 2.113 6.407 9.567 1.00 3.31 C ATOM 0 H VAL A 58 5.682 6.684 7.145 1.00 1.10 H new ATOM 0 HA VAL A 58 4.898 6.605 9.995 1.00 55.24 H new ATOM 0 HB VAL A 58 3.282 8.122 9.042 1.00 3.15 H new ATOM 0 HG11 VAL A 58 1.837 7.554 7.102 1.00 62.41 H new ATOM 0 HG12 VAL A 58 3.557 7.671 6.658 1.00 62.41 H new ATOM 0 HG13 VAL A 58 2.792 6.075 6.843 1.00 62.41 H new ATOM 0 HG21 VAL A 58 1.153 6.886 9.374 1.00 3.31 H new ATOM 0 HG22 VAL A 58 2.051 5.351 9.305 1.00 3.31 H new ATOM 0 HG23 VAL A 58 2.362 6.505 10.624 1.00 3.31 H new ATOM 944 N SER A 59 4.954 4.147 9.800 1.00 40.05 N ATOM 945 CA SER A 59 4.908 2.687 9.800 1.00 24.40 C ATOM 946 C SER A 59 3.567 2.262 10.384 1.00 5.42 C ATOM 947 O SER A 59 3.239 2.649 11.523 1.00 43.11 O ATOM 948 CB SER A 59 6.075 2.113 10.640 1.00 32.35 C ATOM 949 OG SER A 59 6.214 0.712 10.472 1.00 54.43 O ATOM 0 H SER A 59 5.269 4.545 10.685 1.00 40.05 H new ATOM 0 HA SER A 59 5.012 2.304 8.785 1.00 24.40 H new ATOM 0 HB2 SER A 59 7.004 2.606 10.354 1.00 32.35 H new ATOM 0 HB3 SER A 59 5.907 2.337 11.694 1.00 32.35 H new ATOM 0 HG SER A 59 6.424 0.298 11.335 1.00 54.43 H new ATOM 955 N ILE A 60 2.786 1.505 9.604 1.00 52.31 N ATOM 956 CA ILE A 60 1.485 0.989 10.050 1.00 10.14 C ATOM 957 C ILE A 60 1.706 -0.017 11.211 1.00 55.52 C ATOM 958 O ILE A 60 2.452 -0.993 11.030 1.00 63.53 O ATOM 959 CB ILE A 60 0.669 0.303 8.880 1.00 71.13 C ATOM 960 CG1 ILE A 60 0.453 1.305 7.694 1.00 22.13 C ATOM 961 CG2 ILE A 60 -0.688 -0.250 9.402 1.00 53.13 C ATOM 962 CD1 ILE A 60 -0.561 0.857 6.658 1.00 65.10 C ATOM 0 H ILE A 60 3.035 1.234 8.653 1.00 52.31 H new ATOM 0 HA ILE A 60 0.890 1.836 10.392 1.00 10.14 H new ATOM 0 HB ILE A 60 1.250 -0.540 8.506 1.00 71.13 H new ATOM 0 HG12 ILE A 60 0.135 2.265 8.101 1.00 22.13 H new ATOM 0 HG13 ILE A 60 1.409 1.470 7.198 1.00 22.13 H new ATOM 0 HG21 ILE A 60 -1.231 -0.717 8.580 1.00 53.13 H new ATOM 0 HG22 ILE A 60 -0.504 -0.989 10.182 1.00 53.13 H new ATOM 0 HG23 ILE A 60 -1.281 0.568 9.811 1.00 53.13 H new ATOM 0 HD11 ILE A 60 -0.642 1.614 5.878 1.00 65.10 H new ATOM 0 HD12 ILE A 60 -0.238 -0.086 6.217 1.00 65.10 H new ATOM 0 HD13 ILE A 60 -1.532 0.721 7.134 1.00 65.10 H new ATOM 974 N PRO A 61 1.096 0.232 12.428 1.00 73.45 N ATOM 975 CA PRO A 61 1.219 -0.685 13.595 1.00 63.11 C ATOM 976 C PRO A 61 0.596 -2.066 13.310 1.00 51.21 C ATOM 977 O PRO A 61 -0.281 -2.187 12.438 1.00 33.52 O ATOM 978 CB PRO A 61 0.456 0.068 14.723 1.00 45.23 C ATOM 979 CG PRO A 61 -0.480 0.991 14.008 1.00 23.21 C ATOM 980 CD PRO A 61 0.253 1.424 12.760 1.00 41.11 C ATOM 0 HA PRO A 61 2.256 -0.901 13.853 1.00 63.11 H new ATOM 0 HB2 PRO A 61 -0.087 -0.627 15.364 1.00 45.23 H new ATOM 0 HB3 PRO A 61 1.143 0.621 15.363 1.00 45.23 H new ATOM 0 HG2 PRO A 61 -1.414 0.487 13.759 1.00 23.21 H new ATOM 0 HG3 PRO A 61 -0.736 1.849 14.630 1.00 23.21 H new ATOM 0 HD2 PRO A 61 -0.437 1.667 11.952 1.00 41.11 H new ATOM 0 HD3 PRO A 61 0.861 2.311 12.937 1.00 41.11 H new ATOM 988 N SER A 62 1.035 -3.089 14.072 1.00 31.21 N ATOM 989 CA SER A 62 0.651 -4.498 13.853 1.00 71.34 C ATOM 990 C SER A 62 -0.876 -4.705 14.015 1.00 2.31 C ATOM 991 O SER A 62 -1.477 -5.556 13.343 1.00 43.15 O ATOM 992 CB SER A 62 1.454 -5.412 14.805 1.00 75.53 C ATOM 993 OG SER A 62 1.205 -5.114 16.174 1.00 2.22 O ATOM 0 H SER A 62 1.669 -2.960 14.860 1.00 31.21 H new ATOM 0 HA SER A 62 0.894 -4.769 12.826 1.00 71.34 H new ATOM 0 HB2 SER A 62 1.197 -6.453 14.609 1.00 75.53 H new ATOM 0 HB3 SER A 62 2.519 -5.302 14.599 1.00 75.53 H new ATOM 0 HG SER A 62 1.731 -5.716 16.741 1.00 2.22 H new ATOM 999 N THR A 63 -1.486 -3.883 14.883 1.00 21.42 N ATOM 1000 CA THR A 63 -2.946 -3.855 15.101 1.00 65.20 C ATOM 1001 C THR A 63 -3.710 -3.421 13.823 1.00 61.41 C ATOM 1002 O THR A 63 -4.824 -3.880 13.563 1.00 54.52 O ATOM 1003 CB THR A 63 -3.301 -2.907 16.298 1.00 61.14 C ATOM 1004 OG1 THR A 63 -4.715 -2.926 16.550 1.00 21.15 O ATOM 1005 CG2 THR A 63 -2.832 -1.462 16.055 1.00 3.20 C ATOM 0 H THR A 63 -0.978 -3.212 15.460 1.00 21.42 H new ATOM 0 HA THR A 63 -3.262 -4.869 15.345 1.00 65.20 H new ATOM 0 HB THR A 63 -2.770 -3.283 17.172 1.00 61.14 H new ATOM 0 HG1 THR A 63 -4.922 -2.331 17.301 1.00 21.15 H new ATOM 0 HG21 THR A 63 -3.100 -0.843 16.911 1.00 3.20 H new ATOM 0 HG22 THR A 63 -1.750 -1.448 15.922 1.00 3.20 H new ATOM 0 HG23 THR A 63 -3.313 -1.069 15.159 1.00 3.20 H new ATOM 1013 N HIS A 64 -3.089 -2.534 13.030 1.00 14.44 N ATOM 1014 CA HIS A 64 -3.654 -2.016 11.765 1.00 32.15 C ATOM 1015 C HIS A 64 -3.105 -2.766 10.536 1.00 33.34 C ATOM 1016 O HIS A 64 -3.435 -2.420 9.393 1.00 20.32 O ATOM 1017 CB HIS A 64 -3.420 -0.485 11.675 1.00 15.44 C ATOM 1018 CG HIS A 64 -4.343 0.356 12.540 1.00 3.01 C ATOM 1019 ND1 HIS A 64 -4.323 1.677 12.821 1.00 4.32 N flip ATOM 1020 CD2 HIS A 64 -5.475 -0.135 13.165 1.00 70.24 C flip ATOM 1021 CE1 HIS A 64 -5.425 1.959 13.584 1.00 1.12 C flip ATOM 1022 NE2 HIS A 64 -6.107 0.853 13.780 1.00 44.11 N flip ATOM 0 H HIS A 64 -2.170 -2.149 13.248 1.00 14.44 H new ATOM 0 HA HIS A 64 -4.729 -2.197 11.765 1.00 32.15 H new ATOM 0 HB2 HIS A 64 -2.389 -0.273 11.957 1.00 15.44 H new ATOM 0 HB3 HIS A 64 -3.537 -0.175 10.637 1.00 15.44 H new ATOM 0 HD2 HIS A 64 -5.795 -1.167 13.153 1.00 70.24 H new ATOM 0 HE1 HIS A 64 -5.691 2.934 13.964 1.00 1.12 H new ATOM 0 HE2 HIS A 64 -6.973 0.770 14.313 1.00 44.11 H new ATOM 1031 N ILE A 65 -2.275 -3.807 10.762 1.00 63.51 N ATOM 1032 CA ILE A 65 -1.903 -4.747 9.693 1.00 62.13 C ATOM 1033 C ILE A 65 -3.069 -5.706 9.499 1.00 64.40 C ATOM 1034 O ILE A 65 -3.233 -6.674 10.255 1.00 24.03 O ATOM 1035 CB ILE A 65 -0.582 -5.548 9.983 1.00 50.13 C ATOM 1036 CG1 ILE A 65 0.602 -4.572 10.261 1.00 63.23 C ATOM 1037 CG2 ILE A 65 -0.250 -6.522 8.818 1.00 45.13 C ATOM 1038 CD1 ILE A 65 0.850 -3.543 9.179 1.00 0.12 C ATOM 0 H ILE A 65 -1.855 -4.013 11.668 1.00 63.51 H new ATOM 0 HA ILE A 65 -1.698 -4.171 8.791 1.00 62.13 H new ATOM 0 HB ILE A 65 -0.739 -6.150 10.878 1.00 50.13 H new ATOM 0 HG12 ILE A 65 0.411 -4.052 11.200 1.00 63.23 H new ATOM 0 HG13 ILE A 65 1.511 -5.157 10.400 1.00 63.23 H new ATOM 0 HG21 ILE A 65 0.669 -7.062 9.046 1.00 45.13 H new ATOM 0 HG22 ILE A 65 -1.067 -7.232 8.693 1.00 45.13 H new ATOM 0 HG23 ILE A 65 -0.118 -5.955 7.896 1.00 45.13 H new ATOM 0 HD11 ILE A 65 1.692 -2.912 9.463 1.00 0.12 H new ATOM 0 HD12 ILE A 65 1.077 -4.049 8.241 1.00 0.12 H new ATOM 0 HD13 ILE A 65 -0.040 -2.926 9.053 1.00 0.12 H new ATOM 1050 N THR A 66 -3.916 -5.373 8.518 1.00 53.22 N ATOM 1051 CA THR A 66 -5.109 -6.144 8.200 1.00 65.24 C ATOM 1052 C THR A 66 -5.462 -5.989 6.709 1.00 42.52 C ATOM 1053 O THR A 66 -5.009 -5.051 6.039 1.00 14.53 O ATOM 1054 CB THR A 66 -6.317 -5.736 9.119 1.00 4.51 C ATOM 1055 OG1 THR A 66 -7.506 -6.483 8.775 1.00 4.30 O ATOM 1056 CG2 THR A 66 -6.610 -4.227 9.060 1.00 63.52 C ATOM 0 H THR A 66 -3.786 -4.555 7.923 1.00 53.22 H new ATOM 0 HA THR A 66 -4.898 -7.196 8.395 1.00 65.24 H new ATOM 0 HB THR A 66 -6.027 -5.979 10.141 1.00 4.51 H new ATOM 0 HG1 THR A 66 -8.243 -6.213 9.362 1.00 4.30 H new ATOM 0 HG21 THR A 66 -7.452 -3.994 9.711 1.00 63.52 H new ATOM 0 HG22 THR A 66 -5.732 -3.673 9.391 1.00 63.52 H new ATOM 0 HG23 THR A 66 -6.854 -3.943 8.036 1.00 63.52 H new ATOM 1064 N GLY A 67 -6.291 -6.918 6.221 1.00 31.40 N ATOM 1065 CA GLY A 67 -6.657 -7.001 4.817 1.00 61.23 C ATOM 1066 C GLY A 67 -7.358 -5.755 4.305 1.00 14.22 C ATOM 1067 O GLY A 67 -6.992 -5.221 3.270 1.00 60.11 O ATOM 0 H GLY A 67 -6.726 -7.636 6.800 1.00 31.40 H new ATOM 0 HA2 GLY A 67 -5.759 -7.174 4.224 1.00 61.23 H new ATOM 0 HA3 GLY A 67 -7.308 -7.863 4.669 1.00 61.23 H new ATOM 1071 N LYS A 68 -8.337 -5.261 5.069 1.00 50.43 N ATOM 1072 CA LYS A 68 -9.148 -4.090 4.679 1.00 53.43 C ATOM 1073 C LYS A 68 -8.321 -2.777 4.599 1.00 60.41 C ATOM 1074 O LYS A 68 -8.721 -1.831 3.916 1.00 24.33 O ATOM 1075 CB LYS A 68 -10.328 -3.926 5.657 1.00 61.54 C ATOM 1076 CG LYS A 68 -9.912 -3.751 7.134 1.00 23.02 C ATOM 1077 CD LYS A 68 -11.111 -3.481 8.065 1.00 15.11 C ATOM 1078 CE LYS A 68 -11.877 -2.199 7.702 1.00 4.10 C ATOM 1079 NZ LYS A 68 -12.969 -1.903 8.667 1.00 32.32 N ATOM 0 H LYS A 68 -8.594 -5.656 5.974 1.00 50.43 H new ATOM 0 HA LYS A 68 -9.523 -4.278 3.673 1.00 53.43 H new ATOM 0 HB2 LYS A 68 -10.918 -3.061 5.353 1.00 61.54 H new ATOM 0 HB3 LYS A 68 -10.976 -4.799 5.575 1.00 61.54 H new ATOM 0 HG2 LYS A 68 -9.393 -4.649 7.469 1.00 23.02 H new ATOM 0 HG3 LYS A 68 -9.204 -2.926 7.212 1.00 23.02 H new ATOM 0 HD2 LYS A 68 -11.794 -4.330 8.024 1.00 15.11 H new ATOM 0 HD3 LYS A 68 -10.756 -3.407 9.093 1.00 15.11 H new ATOM 0 HE2 LYS A 68 -11.183 -1.359 7.673 1.00 4.10 H new ATOM 0 HE3 LYS A 68 -12.297 -2.300 6.701 1.00 4.10 H new ATOM 0 HZ1 LYS A 68 -13.457 -1.030 8.382 1.00 32.32 H new ATOM 0 HZ2 LYS A 68 -13.647 -2.692 8.677 1.00 32.32 H new ATOM 0 HZ3 LYS A 68 -12.568 -1.780 9.618 1.00 32.32 H new ATOM 1093 N TYR A 69 -7.178 -2.734 5.307 1.00 23.21 N ATOM 1094 CA TYR A 69 -6.277 -1.552 5.330 1.00 73.14 C ATOM 1095 C TYR A 69 -5.252 -1.599 4.183 1.00 23.12 C ATOM 1096 O TYR A 69 -4.684 -0.567 3.816 1.00 54.33 O ATOM 1097 CB TYR A 69 -5.569 -1.436 6.715 1.00 54.52 C ATOM 1098 CG TYR A 69 -6.434 -0.821 7.854 1.00 62.32 C ATOM 1099 CD1 TYR A 69 -7.828 -0.948 7.885 1.00 11.24 C ATOM 1100 CD2 TYR A 69 -5.842 -0.108 8.898 1.00 74.42 C ATOM 1101 CE1 TYR A 69 -8.583 -0.399 8.904 1.00 51.25 C ATOM 1102 CE2 TYR A 69 -6.594 0.442 9.916 1.00 33.04 C ATOM 1103 CZ TYR A 69 -7.957 0.296 9.919 1.00 40.51 C ATOM 1104 OH TYR A 69 -8.689 0.842 10.949 1.00 0.23 O ATOM 0 H TYR A 69 -6.848 -3.511 5.879 1.00 23.21 H new ATOM 0 HA TYR A 69 -6.886 -0.661 5.179 1.00 73.14 H new ATOM 0 HB2 TYR A 69 -5.245 -2.430 7.023 1.00 54.52 H new ATOM 0 HB3 TYR A 69 -4.671 -0.830 6.596 1.00 54.52 H new ATOM 0 HD1 TYR A 69 -8.325 -1.488 7.093 1.00 11.24 H new ATOM 0 HD2 TYR A 69 -4.769 0.016 8.909 1.00 74.42 H new ATOM 0 HE1 TYR A 69 -9.657 -0.513 8.906 1.00 51.25 H new ATOM 0 HE2 TYR A 69 -6.108 0.988 10.711 1.00 33.04 H new ATOM 0 HH TYR A 69 -8.086 1.295 11.575 1.00 0.23 H new ATOM 1114 N PHE A 70 -5.035 -2.796 3.620 1.00 31.15 N ATOM 1115 CA PHE A 70 -4.111 -3.027 2.473 1.00 54.22 C ATOM 1116 C PHE A 70 -4.885 -3.534 1.242 1.00 4.44 C ATOM 1117 O PHE A 70 -4.287 -4.011 0.269 1.00 45.23 O ATOM 1118 CB PHE A 70 -3.019 -4.050 2.878 1.00 3.12 C ATOM 1119 CG PHE A 70 -1.968 -3.513 3.864 1.00 11.14 C ATOM 1120 CD1 PHE A 70 -0.867 -2.789 3.399 1.00 54.12 C ATOM 1121 CD2 PHE A 70 -2.070 -3.741 5.235 1.00 74.13 C ATOM 1122 CE1 PHE A 70 0.094 -2.321 4.269 1.00 12.41 C ATOM 1123 CE2 PHE A 70 -1.109 -3.270 6.104 1.00 51.42 C ATOM 1124 CZ PHE A 70 -0.025 -2.561 5.619 1.00 53.13 C ATOM 0 H PHE A 70 -5.495 -3.647 3.943 1.00 31.15 H new ATOM 0 HA PHE A 70 -3.637 -2.081 2.211 1.00 54.22 H new ATOM 0 HB2 PHE A 70 -3.503 -4.920 3.322 1.00 3.12 H new ATOM 0 HB3 PHE A 70 -2.510 -4.393 1.977 1.00 3.12 H new ATOM 0 HD1 PHE A 70 -0.768 -2.593 2.342 1.00 54.12 H new ATOM 0 HD2 PHE A 70 -2.913 -4.294 5.622 1.00 74.13 H new ATOM 0 HE1 PHE A 70 0.940 -1.766 3.892 1.00 12.41 H new ATOM 0 HE2 PHE A 70 -1.203 -3.455 7.164 1.00 51.42 H new ATOM 0 HZ PHE A 70 0.729 -2.195 6.300 1.00 53.13 H new ATOM 1134 N LYS A 71 -6.218 -3.390 1.292 1.00 64.30 N ATOM 1135 CA LYS A 71 -7.164 -4.032 0.372 1.00 72.52 C ATOM 1136 C LYS A 71 -6.977 -3.573 -1.086 1.00 23.24 C ATOM 1137 O LYS A 71 -7.209 -4.341 -2.018 1.00 34.12 O ATOM 1138 CB LYS A 71 -8.591 -3.746 0.897 1.00 40.14 C ATOM 1139 CG LYS A 71 -9.686 -4.635 0.311 1.00 4.43 C ATOM 1140 CD LYS A 71 -11.057 -4.444 1.020 1.00 53.52 C ATOM 1141 CE LYS A 71 -11.545 -2.985 1.025 1.00 54.14 C ATOM 1142 NZ LYS A 71 -11.553 -2.394 -0.339 1.00 53.10 N ATOM 0 H LYS A 71 -6.678 -2.808 1.992 1.00 64.30 H new ATOM 0 HA LYS A 71 -6.982 -5.106 0.349 1.00 72.52 H new ATOM 0 HB2 LYS A 71 -8.593 -3.861 1.981 1.00 40.14 H new ATOM 0 HB3 LYS A 71 -8.837 -2.705 0.686 1.00 40.14 H new ATOM 0 HG2 LYS A 71 -9.797 -4.416 -0.751 1.00 4.43 H new ATOM 0 HG3 LYS A 71 -9.382 -5.679 0.391 1.00 4.43 H new ATOM 0 HD2 LYS A 71 -11.803 -5.067 0.526 1.00 53.52 H new ATOM 0 HD3 LYS A 71 -10.978 -4.796 2.048 1.00 53.52 H new ATOM 0 HE2 LYS A 71 -12.550 -2.941 1.445 1.00 54.14 H new ATOM 0 HE3 LYS A 71 -10.902 -2.390 1.674 1.00 54.14 H new ATOM 0 HZ1 LYS A 71 -12.170 -1.557 -0.351 1.00 53.10 H new ATOM 0 HZ2 LYS A 71 -10.586 -2.115 -0.602 1.00 53.10 H new ATOM 0 HZ3 LYS A 71 -11.908 -3.096 -1.019 1.00 53.10 H new ATOM 1156 N ASP A 72 -6.535 -2.320 -1.239 1.00 23.52 N ATOM 1157 CA ASP A 72 -6.255 -1.667 -2.530 1.00 41.12 C ATOM 1158 C ASP A 72 -5.581 -0.314 -2.258 1.00 35.15 C ATOM 1159 O ASP A 72 -5.215 -0.022 -1.107 1.00 60.10 O ATOM 1160 CB ASP A 72 -7.547 -1.515 -3.392 1.00 62.05 C ATOM 1161 CG ASP A 72 -8.657 -0.725 -2.688 1.00 74.52 C ATOM 1162 OD1 ASP A 72 -9.485 -1.347 -1.971 1.00 24.43 O ATOM 1163 OD2 ASP A 72 -8.705 0.514 -2.848 1.00 44.34 O ATOM 0 H ASP A 72 -6.355 -1.709 -0.443 1.00 23.52 H new ATOM 0 HA ASP A 72 -5.579 -2.292 -3.114 1.00 41.12 H new ATOM 0 HB2 ASP A 72 -7.294 -1.017 -4.328 1.00 62.05 H new ATOM 0 HB3 ASP A 72 -7.923 -2.505 -3.649 1.00 62.05 H new ATOM 1168 N LEU A 73 -5.408 0.498 -3.310 1.00 14.13 N ATOM 1169 CA LEU A 73 -4.739 1.807 -3.208 1.00 23.54 C ATOM 1170 C LEU A 73 -5.539 2.786 -2.329 1.00 71.34 C ATOM 1171 O LEU A 73 -4.955 3.498 -1.523 1.00 12.31 O ATOM 1172 CB LEU A 73 -4.512 2.438 -4.603 1.00 42.11 C ATOM 1173 CG LEU A 73 -3.764 3.803 -4.600 1.00 2.43 C ATOM 1174 CD1 LEU A 73 -2.303 3.623 -4.139 1.00 72.14 C ATOM 1175 CD2 LEU A 73 -3.851 4.497 -5.974 1.00 21.10 C ATOM 0 H LEU A 73 -5.725 0.270 -4.252 1.00 14.13 H new ATOM 0 HA LEU A 73 -3.771 1.625 -2.740 1.00 23.54 H new ATOM 0 HB2 LEU A 73 -3.948 1.734 -5.215 1.00 42.11 H new ATOM 0 HB3 LEU A 73 -5.480 2.574 -5.084 1.00 42.11 H new ATOM 0 HG LEU A 73 -4.259 4.459 -3.883 1.00 2.43 H new ATOM 0 HD11 LEU A 73 -1.798 4.589 -4.144 1.00 72.14 H new ATOM 0 HD12 LEU A 73 -2.288 3.211 -3.130 1.00 72.14 H new ATOM 0 HD13 LEU A 73 -1.789 2.941 -4.817 1.00 72.14 H new ATOM 0 HD21 LEU A 73 -3.318 5.447 -5.936 1.00 21.10 H new ATOM 0 HD22 LEU A 73 -3.400 3.858 -6.733 1.00 21.10 H new ATOM 0 HD23 LEU A 73 -4.896 4.677 -6.225 1.00 21.10 H new ATOM 1187 N ASN A 74 -6.874 2.806 -2.508 1.00 23.30 N ATOM 1188 CA ASN A 74 -7.783 3.702 -1.748 1.00 51.03 C ATOM 1189 C ASN A 74 -7.848 3.271 -0.277 1.00 72.52 C ATOM 1190 O ASN A 74 -7.983 4.115 0.611 1.00 74.40 O ATOM 1191 CB ASN A 74 -9.215 3.704 -2.356 1.00 73.03 C ATOM 1192 CG ASN A 74 -9.266 4.110 -3.826 1.00 4.00 C ATOM 1193 OD1 ASN A 74 -8.443 4.899 -4.304 1.00 62.41 O ATOM 1194 ND2 ASN A 74 -10.247 3.593 -4.549 1.00 13.40 N ATOM 0 H ASN A 74 -7.356 2.207 -3.178 1.00 23.30 H new ATOM 0 HA ASN A 74 -7.381 4.713 -1.813 1.00 51.03 H new ATOM 0 HB2 ASN A 74 -9.645 2.708 -2.250 1.00 73.03 H new ATOM 0 HB3 ASN A 74 -9.842 4.385 -1.780 1.00 73.03 H new ATOM 0 HD21 ASN A 74 -10.341 3.843 -5.533 1.00 13.40 H new ATOM 0 HD22 ASN A 74 -10.908 2.945 -4.122 1.00 13.40 H new ATOM 1201 N ALA A 75 -7.754 1.952 -0.040 1.00 40.23 N ATOM 1202 CA ALA A 75 -7.707 1.385 1.323 1.00 43.44 C ATOM 1203 C ALA A 75 -6.437 1.849 2.075 1.00 35.02 C ATOM 1204 O ALA A 75 -6.514 2.309 3.221 1.00 61.14 O ATOM 1205 CB ALA A 75 -7.792 -0.146 1.251 1.00 53.04 C ATOM 0 H ALA A 75 -7.709 1.251 -0.780 1.00 40.23 H new ATOM 0 HA ALA A 75 -8.564 1.751 1.888 1.00 43.44 H new ATOM 0 HB1 ALA A 75 -7.757 -0.560 2.259 1.00 53.04 H new ATOM 0 HB2 ALA A 75 -8.727 -0.436 0.772 1.00 53.04 H new ATOM 0 HB3 ALA A 75 -6.953 -0.530 0.671 1.00 53.04 H new ATOM 1211 N ILE A 76 -5.279 1.740 1.396 1.00 4.25 N ATOM 1212 CA ILE A 76 -3.972 2.228 1.907 1.00 63.04 C ATOM 1213 C ILE A 76 -3.967 3.756 1.996 1.00 55.22 C ATOM 1214 O ILE A 76 -3.384 4.304 2.921 1.00 31.24 O ATOM 1215 CB ILE A 76 -2.766 1.711 1.017 1.00 14.24 C ATOM 1216 CG1 ILE A 76 -2.639 0.161 1.151 1.00 1.42 C ATOM 1217 CG2 ILE A 76 -1.420 2.412 1.372 1.00 33.43 C ATOM 1218 CD1 ILE A 76 -1.505 -0.475 0.367 1.00 13.11 C ATOM 0 H ILE A 76 -5.218 1.310 0.473 1.00 4.25 H new ATOM 0 HA ILE A 76 -3.835 1.821 2.909 1.00 63.04 H new ATOM 0 HB ILE A 76 -2.984 1.968 -0.019 1.00 14.24 H new ATOM 0 HG12 ILE A 76 -2.511 -0.085 2.205 1.00 1.42 H new ATOM 0 HG13 ILE A 76 -3.577 -0.291 0.830 1.00 1.42 H new ATOM 0 HG21 ILE A 76 -0.627 2.022 0.734 1.00 33.43 H new ATOM 0 HG22 ILE A 76 -1.517 3.486 1.215 1.00 33.43 H new ATOM 0 HG23 ILE A 76 -1.173 2.219 2.416 1.00 33.43 H new ATOM 0 HD11 ILE A 76 -1.509 -1.553 0.531 1.00 13.11 H new ATOM 0 HD12 ILE A 76 -1.637 -0.270 -0.695 1.00 13.11 H new ATOM 0 HD13 ILE A 76 -0.554 -0.060 0.701 1.00 13.11 H new ATOM 1230 N SER A 77 -4.679 4.425 1.067 1.00 61.14 N ATOM 1231 CA SER A 77 -4.748 5.899 1.026 1.00 14.35 C ATOM 1232 C SER A 77 -5.452 6.419 2.283 1.00 13.54 C ATOM 1233 O SER A 77 -4.950 7.320 2.943 1.00 74.13 O ATOM 1234 CB SER A 77 -5.464 6.395 -0.260 1.00 4.15 C ATOM 1235 OG SER A 77 -5.490 7.817 -0.337 1.00 41.23 O ATOM 0 H SER A 77 -5.216 3.965 0.332 1.00 61.14 H new ATOM 0 HA SER A 77 -3.732 6.294 1.002 1.00 14.35 H new ATOM 0 HB2 SER A 77 -4.956 5.993 -1.137 1.00 4.15 H new ATOM 0 HB3 SER A 77 -6.484 6.011 -0.279 1.00 4.15 H new ATOM 0 HG SER A 77 -5.947 8.092 -1.159 1.00 41.23 H new ATOM 1241 N ARG A 78 -6.582 5.801 2.637 1.00 41.11 N ATOM 1242 CA ARG A 78 -7.356 6.199 3.824 1.00 55.43 C ATOM 1243 C ARG A 78 -6.605 5.851 5.112 1.00 62.50 C ATOM 1244 O ARG A 78 -6.621 6.635 6.065 1.00 24.35 O ATOM 1245 CB ARG A 78 -8.757 5.548 3.838 1.00 41.01 C ATOM 1246 CG ARG A 78 -9.713 5.977 2.701 1.00 54.02 C ATOM 1247 CD ARG A 78 -9.735 7.497 2.454 1.00 41.21 C ATOM 1248 NE ARG A 78 -9.880 8.293 3.695 1.00 14.44 N ATOM 1249 CZ ARG A 78 -9.413 9.548 3.853 1.00 75.34 C ATOM 1250 NH1 ARG A 78 -8.779 10.164 2.864 1.00 22.01 N ATOM 1251 NH2 ARG A 78 -9.571 10.177 5.010 1.00 31.25 N ATOM 0 H ARG A 78 -6.985 5.020 2.119 1.00 41.11 H new ATOM 0 HA ARG A 78 -7.485 7.280 3.772 1.00 55.43 H new ATOM 0 HB2 ARG A 78 -8.634 4.466 3.794 1.00 41.01 H new ATOM 0 HB3 ARG A 78 -9.233 5.776 4.792 1.00 41.01 H new ATOM 0 HG2 ARG A 78 -9.419 5.472 1.781 1.00 54.02 H new ATOM 0 HG3 ARG A 78 -10.722 5.642 2.940 1.00 54.02 H new ATOM 0 HD2 ARG A 78 -8.814 7.789 1.950 1.00 41.21 H new ATOM 0 HD3 ARG A 78 -10.557 7.736 1.780 1.00 41.21 H new ATOM 0 HE ARG A 78 -10.365 7.863 4.482 1.00 14.44 H new ATOM 0 HH11 ARG A 78 -8.640 9.688 1.972 1.00 22.01 H new ATOM 0 HH12 ARG A 78 -8.430 11.113 2.995 1.00 22.01 H new ATOM 0 HH21 ARG A 78 -10.047 9.711 5.783 1.00 31.25 H new ATOM 0 HH22 ARG A 78 -9.217 11.126 5.127 1.00 31.25 H new ATOM 1265 N THR A 79 -5.935 4.688 5.112 1.00 71.00 N ATOM 1266 CA THR A 79 -5.176 4.205 6.279 1.00 61.22 C ATOM 1267 C THR A 79 -3.979 5.120 6.570 1.00 25.40 C ATOM 1268 O THR A 79 -3.771 5.540 7.709 1.00 42.53 O ATOM 1269 CB THR A 79 -4.694 2.735 6.078 1.00 13.40 C ATOM 1270 OG1 THR A 79 -5.838 1.886 5.888 1.00 65.34 O ATOM 1271 CG2 THR A 79 -3.865 2.220 7.270 1.00 2.11 C ATOM 0 H THR A 79 -5.903 4.059 4.310 1.00 71.00 H new ATOM 0 HA THR A 79 -5.849 4.226 7.136 1.00 61.22 H new ATOM 0 HB THR A 79 -4.048 2.715 5.200 1.00 13.40 H new ATOM 0 HG1 THR A 79 -6.146 1.955 4.960 1.00 65.34 H new ATOM 0 HG21 THR A 79 -3.554 1.193 7.080 1.00 2.11 H new ATOM 0 HG22 THR A 79 -2.983 2.848 7.399 1.00 2.11 H new ATOM 0 HG23 THR A 79 -4.470 2.254 8.176 1.00 2.11 H new ATOM 1279 N VAL A 80 -3.240 5.465 5.517 1.00 50.05 N ATOM 1280 CA VAL A 80 -2.014 6.257 5.639 1.00 41.54 C ATOM 1281 C VAL A 80 -2.362 7.715 6.009 1.00 44.42 C ATOM 1282 O VAL A 80 -1.645 8.342 6.783 1.00 43.10 O ATOM 1283 CB VAL A 80 -1.129 6.170 4.329 1.00 34.25 C ATOM 1284 CG1 VAL A 80 -1.713 6.970 3.144 1.00 25.30 C ATOM 1285 CG2 VAL A 80 0.321 6.587 4.605 1.00 73.31 C ATOM 0 H VAL A 80 -3.472 5.205 4.558 1.00 50.05 H new ATOM 0 HA VAL A 80 -1.410 5.839 6.444 1.00 41.54 H new ATOM 0 HB VAL A 80 -1.139 5.122 4.031 1.00 34.25 H new ATOM 0 HG11 VAL A 80 -1.058 6.868 2.278 1.00 25.30 H new ATOM 0 HG12 VAL A 80 -2.703 6.585 2.898 1.00 25.30 H new ATOM 0 HG13 VAL A 80 -1.791 8.022 3.418 1.00 25.30 H new ATOM 0 HG21 VAL A 80 0.901 6.516 3.685 1.00 73.31 H new ATOM 0 HG22 VAL A 80 0.341 7.614 4.968 1.00 73.31 H new ATOM 0 HG23 VAL A 80 0.752 5.927 5.358 1.00 73.31 H new ATOM 1295 N GLU A 81 -3.506 8.222 5.494 1.00 72.04 N ATOM 1296 CA GLU A 81 -3.991 9.582 5.809 1.00 10.23 C ATOM 1297 C GLU A 81 -4.414 9.676 7.278 1.00 74.33 C ATOM 1298 O GLU A 81 -4.002 10.610 7.976 1.00 21.22 O ATOM 1299 CB GLU A 81 -5.178 9.989 4.885 1.00 51.34 C ATOM 1300 CG GLU A 81 -4.796 10.323 3.425 1.00 61.33 C ATOM 1301 CD GLU A 81 -3.922 11.584 3.291 1.00 64.23 C ATOM 1302 OE1 GLU A 81 -4.478 12.713 3.446 1.00 34.31 O ATOM 1303 OE2 GLU A 81 -2.689 11.455 3.052 1.00 41.41 O ATOM 0 H GLU A 81 -4.111 7.705 4.856 1.00 72.04 H new ATOM 0 HA GLU A 81 -3.168 10.275 5.632 1.00 10.23 H new ATOM 0 HB2 GLU A 81 -5.905 9.177 4.876 1.00 51.34 H new ATOM 0 HB3 GLU A 81 -5.675 10.856 5.320 1.00 51.34 H new ATOM 0 HG2 GLU A 81 -4.264 9.475 2.994 1.00 61.33 H new ATOM 0 HG3 GLU A 81 -5.707 10.458 2.842 1.00 61.33 H new ATOM 1310 N GLN A 82 -5.205 8.683 7.741 1.00 3.22 N ATOM 1311 CA GLN A 82 -5.765 8.684 9.114 1.00 2.14 C ATOM 1312 C GLN A 82 -4.650 8.508 10.161 1.00 52.12 C ATOM 1313 O GLN A 82 -4.699 9.117 11.219 1.00 62.25 O ATOM 1314 CB GLN A 82 -6.892 7.613 9.290 1.00 1.41 C ATOM 1315 CG GLN A 82 -6.431 6.143 9.352 1.00 2.22 C ATOM 1316 CD GLN A 82 -7.563 5.124 9.510 1.00 5.32 C ATOM 1317 OE1 GLN A 82 -8.690 5.347 9.056 1.00 12.44 O ATOM 1318 NE2 GLN A 82 -7.272 4.000 10.163 1.00 52.35 N ATOM 0 H GLN A 82 -5.471 7.870 7.185 1.00 3.22 H new ATOM 0 HA GLN A 82 -6.229 9.657 9.276 1.00 2.14 H new ATOM 0 HB2 GLN A 82 -7.440 7.839 10.205 1.00 1.41 H new ATOM 0 HB3 GLN A 82 -7.595 7.717 8.464 1.00 1.41 H new ATOM 0 HG2 GLN A 82 -5.876 5.912 8.443 1.00 2.22 H new ATOM 0 HG3 GLN A 82 -5.738 6.028 10.186 1.00 2.22 H new ATOM 0 HE21 GLN A 82 -6.330 3.849 10.524 1.00 52.35 H new ATOM 0 HE22 GLN A 82 -7.991 3.290 10.302 1.00 52.35 H new ATOM 1327 N LEU A 83 -3.621 7.709 9.821 1.00 12.31 N ATOM 1328 CA LEU A 83 -2.460 7.472 10.706 1.00 21.20 C ATOM 1329 C LEU A 83 -1.612 8.728 10.843 1.00 72.41 C ATOM 1330 O LEU A 83 -1.235 9.091 11.949 1.00 73.04 O ATOM 1331 CB LEU A 83 -1.602 6.296 10.188 1.00 43.30 C ATOM 1332 CG LEU A 83 -2.221 4.884 10.372 1.00 21.14 C ATOM 1333 CD1 LEU A 83 -1.329 3.810 9.721 1.00 32.41 C ATOM 1334 CD2 LEU A 83 -2.452 4.582 11.867 1.00 51.21 C ATOM 0 H LEU A 83 -3.569 7.212 8.932 1.00 12.31 H new ATOM 0 HA LEU A 83 -2.843 7.209 11.692 1.00 21.20 H new ATOM 0 HB2 LEU A 83 -1.406 6.452 9.127 1.00 43.30 H new ATOM 0 HB3 LEU A 83 -0.639 6.320 10.697 1.00 43.30 H new ATOM 0 HG LEU A 83 -3.189 4.865 9.872 1.00 21.14 H new ATOM 0 HD11 LEU A 83 -1.781 2.828 9.861 1.00 32.41 H new ATOM 0 HD12 LEU A 83 -1.231 4.016 8.655 1.00 32.41 H new ATOM 0 HD13 LEU A 83 -0.343 3.826 10.185 1.00 32.41 H new ATOM 0 HD21 LEU A 83 -2.886 3.588 11.975 1.00 51.21 H new ATOM 0 HD22 LEU A 83 -1.501 4.622 12.397 1.00 51.21 H new ATOM 0 HD23 LEU A 83 -3.133 5.323 12.287 1.00 51.21 H new ATOM 1346 N LYS A 84 -1.329 9.390 9.708 1.00 43.14 N ATOM 1347 CA LYS A 84 -0.584 10.666 9.700 1.00 2.15 C ATOM 1348 C LYS A 84 -1.417 11.789 10.354 1.00 62.04 C ATOM 1349 O LYS A 84 -0.863 12.798 10.768 1.00 50.00 O ATOM 1350 CB LYS A 84 -0.168 11.071 8.255 1.00 4.32 C ATOM 1351 CG LYS A 84 0.823 10.111 7.568 1.00 3.33 C ATOM 1352 CD LYS A 84 1.279 10.565 6.143 1.00 73.43 C ATOM 1353 CE LYS A 84 0.152 10.619 5.081 1.00 74.13 C ATOM 1354 NZ LYS A 84 -0.796 11.758 5.276 1.00 23.43 N ATOM 0 H LYS A 84 -1.604 9.064 8.782 1.00 43.14 H new ATOM 0 HA LYS A 84 0.325 10.521 10.284 1.00 2.15 H new ATOM 0 HB2 LYS A 84 -1.066 11.142 7.641 1.00 4.32 H new ATOM 0 HB3 LYS A 84 0.276 12.066 8.287 1.00 4.32 H new ATOM 0 HG2 LYS A 84 1.704 10.003 8.201 1.00 3.33 H new ATOM 0 HG3 LYS A 84 0.363 9.126 7.492 1.00 3.33 H new ATOM 0 HD2 LYS A 84 1.732 11.553 6.221 1.00 73.43 H new ATOM 0 HD3 LYS A 84 2.056 9.885 5.793 1.00 73.43 H new ATOM 0 HE2 LYS A 84 0.600 10.695 4.090 1.00 74.13 H new ATOM 0 HE3 LYS A 84 -0.406 9.683 5.107 1.00 74.13 H new ATOM 0 HZ1 LYS A 84 -1.161 12.068 4.353 1.00 23.43 H new ATOM 0 HZ2 LYS A 84 -1.588 11.452 5.876 1.00 23.43 H new ATOM 0 HZ3 LYS A 84 -0.299 12.548 5.735 1.00 23.43 H new ATOM 1368 N ALA A 85 -2.744 11.583 10.437 1.00 73.11 N ATOM 1369 CA ALA A 85 -3.680 12.518 11.090 1.00 41.41 C ATOM 1370 C ALA A 85 -3.661 12.356 12.620 1.00 71.21 C ATOM 1371 O ALA A 85 -3.685 13.348 13.354 1.00 41.20 O ATOM 1372 CB ALA A 85 -5.095 12.304 10.543 1.00 72.14 C ATOM 0 H ALA A 85 -3.201 10.757 10.050 1.00 73.11 H new ATOM 0 HA ALA A 85 -3.360 13.535 10.865 1.00 41.41 H new ATOM 0 HB1 ALA A 85 -5.782 12.997 11.029 1.00 72.14 H new ATOM 0 HB2 ALA A 85 -5.100 12.482 9.468 1.00 72.14 H new ATOM 0 HB3 ALA A 85 -5.411 11.280 10.743 1.00 72.14 H new ATOM 1378 N GLU A 86 -3.618 11.095 13.097 1.00 13.42 N ATOM 1379 CA GLU A 86 -3.557 10.807 14.548 1.00 71.20 C ATOM 1380 C GLU A 86 -2.155 11.146 15.090 1.00 71.55 C ATOM 1381 O GLU A 86 -2.003 11.691 16.188 1.00 60.24 O ATOM 1382 CB GLU A 86 -3.902 9.324 14.841 1.00 70.34 C ATOM 1383 CG GLU A 86 -5.244 8.815 14.257 1.00 53.41 C ATOM 1384 CD GLU A 86 -6.446 9.760 14.473 1.00 3.32 C ATOM 1385 OE1 GLU A 86 -6.884 9.930 15.636 1.00 64.22 O ATOM 1386 OE2 GLU A 86 -6.971 10.314 13.473 1.00 21.11 O ATOM 0 H GLU A 86 -3.624 10.264 12.505 1.00 13.42 H new ATOM 0 HA GLU A 86 -4.298 11.428 15.052 1.00 71.20 H new ATOM 0 HB2 GLU A 86 -3.098 8.700 14.451 1.00 70.34 H new ATOM 0 HB3 GLU A 86 -3.921 9.182 15.922 1.00 70.34 H new ATOM 0 HG2 GLU A 86 -5.118 8.649 13.187 1.00 53.41 H new ATOM 0 HG3 GLU A 86 -5.475 7.848 14.705 1.00 53.41 H new