USER MOD reduce.3.24.130724 H: found=0, std=0, add=826, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 824 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 91 SER OG : rot 140:sc= -3.89! USER MOD Set 1.2: A 96 SER OG : rot 180:sc= 0.574 USER MOD Set 2.1: A 32 CYS SG : rot -170:sc= -1.17 USER MOD Set 2.2: A 76 GLN : amide:sc= -7.12! C(o=-8.3!,f=-5.1!) USER MOD Set 3.1: A 28 TYR OH : rot -145:sc= -0.196 USER MOD Set 3.2: A 60 ASN : amide:sc= -1.65 K(o=-1.8,f=-7.7!) USER MOD Single : A 1 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLN N :NH3+ 154:sc= -0.12 (180deg=-0.919) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -140:sc= -0.0964 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0368 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot 93:sc= 0.344 USER MOD Single : A 35 CYS SG : rot -21:sc= -0.147 USER MOD Single : A 36 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00558) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.569 USER MOD Single : A 48 GLN : amide:sc= -2.85 K(o=-2.8,f=-8.3!) USER MOD Single : A 51 GLN : amide:sc= -2.43 X(o=-2.4,f=-2.8) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot -120:sc= -0.53 USER MOD Single : A 64 GLN : amide:sc= -3.94! C(o=-3.9!,f=-7.6!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.0149 X(o=-0.015,f=-0.45) USER MOD Single : A 70 GLN : amide:sc= -0.0482 K(o=-0.048,f=-1) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -0.156 K(o=-0.16,f=-2!) USER MOD Single : A 77 SER OG : rot -140:sc= 0.681 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= 0.0199 X(o=0.02,f=0) USER MOD Single : A 86 GLN : amide:sc= -0.0249 K(o=-0.025,f=-1.8!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 96:sc= 1.05 USER MOD Single : A 105 THR OG1 : rot -140:sc= -0.535 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 0.649 -2.159 -4.286 1.00 63.24 N ATOM 2 CA GLN A 1 2.033 -2.187 -4.745 1.00 23.54 C ATOM 3 C GLN A 1 2.120 -2.681 -6.185 1.00 72.10 C ATOM 4 O GLN A 1 2.996 -3.474 -6.528 1.00 43.10 O ATOM 5 CB GLN A 1 2.876 -3.083 -3.835 1.00 33.04 C ATOM 6 CG GLN A 1 2.240 -4.435 -3.554 1.00 13.15 C ATOM 7 CD GLN A 1 1.868 -4.613 -2.095 1.00 24.14 C ATOM 8 OE1 GLN A 1 0.706 -4.465 -1.715 1.00 44.12 O ATOM 9 NE2 GLN A 1 2.856 -4.933 -1.267 1.00 22.41 N ATOM 0 H1 GLN A 1 0.624 -2.257 -3.251 1.00 63.24 H new ATOM 0 H2 GLN A 1 0.211 -1.256 -4.559 1.00 63.24 H new ATOM 0 H3 GLN A 1 0.123 -2.944 -4.721 1.00 63.24 H new ATOM 0 HA GLN A 1 2.423 -1.170 -4.705 1.00 23.54 H new ATOM 0 HB2 GLN A 1 3.852 -3.238 -4.295 1.00 33.04 H new ATOM 0 HB3 GLN A 1 3.048 -2.568 -2.890 1.00 33.04 H new ATOM 0 HG2 GLN A 1 1.347 -4.547 -4.169 1.00 13.15 H new ATOM 0 HG3 GLN A 1 2.931 -5.225 -3.848 1.00 13.15 H new ATOM 0 HE21 GLN A 1 3.805 -5.046 -1.624 1.00 22.41 H new ATOM 0 HE22 GLN A 1 2.666 -5.066 -0.274 1.00 22.41 H new ATOM 18 N ALA A 2 1.204 -2.207 -7.024 1.00 24.12 N ATOM 19 CA ALA A 2 1.179 -2.599 -8.427 1.00 54.04 C ATOM 20 C ALA A 2 0.466 -1.552 -9.277 1.00 31.03 C ATOM 21 O ALA A 2 -0.694 -1.726 -9.650 1.00 63.50 O ATOM 22 CB ALA A 2 0.507 -3.955 -8.584 1.00 72.15 C ATOM 0 H ALA A 2 0.470 -1.551 -6.756 1.00 24.12 H new ATOM 0 HA ALA A 2 2.209 -2.673 -8.776 1.00 54.04 H new ATOM 0 HB1 ALA A 2 0.495 -4.235 -9.637 1.00 72.15 H new ATOM 0 HB2 ALA A 2 1.060 -4.703 -8.015 1.00 72.15 H new ATOM 0 HB3 ALA A 2 -0.516 -3.899 -8.212 1.00 72.15 H new ATOM 28 N ALA A 3 1.167 -0.464 -9.578 1.00 0.12 N ATOM 29 CA ALA A 3 0.601 0.611 -10.384 1.00 63.52 C ATOM 30 C ALA A 3 -0.680 1.150 -9.758 1.00 54.14 C ATOM 31 O ALA A 3 -1.036 0.786 -8.638 1.00 13.03 O ATOM 32 CB ALA A 3 0.335 0.123 -11.801 1.00 12.13 C ATOM 0 H ALA A 3 2.128 -0.304 -9.276 1.00 0.12 H new ATOM 0 HA ALA A 3 1.325 1.425 -10.422 1.00 63.52 H new ATOM 0 HB1 ALA A 3 -0.088 0.935 -12.392 1.00 12.13 H new ATOM 0 HB2 ALA A 3 1.270 -0.207 -12.254 1.00 12.13 H new ATOM 0 HB3 ALA A 3 -0.368 -0.709 -11.773 1.00 12.13 H new ATOM 38 N SER A 4 -1.370 2.020 -10.489 1.00 45.44 N ATOM 39 CA SER A 4 -2.610 2.614 -10.004 1.00 22.34 C ATOM 40 C SER A 4 -3.202 3.562 -11.042 1.00 44.00 C ATOM 41 O SER A 4 -2.702 4.669 -11.246 1.00 22.55 O ATOM 42 CB SER A 4 -2.362 3.364 -8.694 1.00 11.14 C ATOM 43 OG SER A 4 -3.145 2.826 -7.642 1.00 3.12 O ATOM 0 H SER A 4 -1.091 2.329 -11.420 1.00 45.44 H new ATOM 0 HA SER A 4 -3.323 1.809 -9.825 1.00 22.34 H new ATOM 0 HB2 SER A 4 -1.306 3.305 -8.432 1.00 11.14 H new ATOM 0 HB3 SER A 4 -2.600 4.420 -8.825 1.00 11.14 H new ATOM 0 HG SER A 4 -2.967 3.321 -6.815 1.00 3.12 H new ATOM 49 N VAL A 5 -4.270 3.120 -11.697 1.00 35.20 N ATOM 50 CA VAL A 5 -4.932 3.928 -12.714 1.00 14.10 C ATOM 51 C VAL A 5 -6.373 4.236 -12.320 1.00 24.12 C ATOM 52 O VAL A 5 -7.025 3.440 -11.645 1.00 50.03 O ATOM 53 CB VAL A 5 -4.926 3.223 -14.083 1.00 71.22 C ATOM 54 CG1 VAL A 5 -3.502 3.046 -14.587 1.00 3.53 C ATOM 55 CG2 VAL A 5 -5.639 1.882 -13.995 1.00 21.24 C ATOM 0 H VAL A 5 -4.696 2.206 -11.542 1.00 35.20 H new ATOM 0 HA VAL A 5 -4.372 4.860 -12.791 1.00 14.10 H new ATOM 0 HB VAL A 5 -5.463 3.849 -14.796 1.00 71.22 H new ATOM 0 HG11 VAL A 5 -3.518 2.546 -15.555 1.00 3.53 H new ATOM 0 HG12 VAL A 5 -3.029 4.022 -14.691 1.00 3.53 H new ATOM 0 HG13 VAL A 5 -2.937 2.442 -13.877 1.00 3.53 H new ATOM 0 HG21 VAL A 5 -5.625 1.398 -14.971 1.00 21.24 H new ATOM 0 HG22 VAL A 5 -5.132 1.247 -13.268 1.00 21.24 H new ATOM 0 HG23 VAL A 5 -6.671 2.039 -13.682 1.00 21.24 H new ATOM 65 N GLU A 6 -6.862 5.396 -12.746 1.00 50.20 N ATOM 66 CA GLU A 6 -8.226 5.809 -12.437 1.00 21.03 C ATOM 67 C GLU A 6 -8.915 6.381 -13.672 1.00 61.55 C ATOM 68 O GLU A 6 -8.499 7.395 -14.232 1.00 53.25 O ATOM 69 CB GLU A 6 -8.226 6.848 -11.313 1.00 64.32 C ATOM 70 CG GLU A 6 -8.469 6.255 -9.936 1.00 31.53 C ATOM 71 CD GLU A 6 -9.877 6.506 -9.433 1.00 35.30 C ATOM 72 OE1 GLU A 6 -10.032 7.280 -8.465 1.00 70.12 O ATOM 73 OE2 GLU A 6 -10.825 5.928 -10.007 1.00 4.55 O ATOM 0 H GLU A 6 -6.335 6.066 -13.306 1.00 50.20 H new ATOM 0 HA GLU A 6 -8.779 4.929 -12.109 1.00 21.03 H new ATOM 0 HB2 GLU A 6 -7.268 7.369 -11.311 1.00 64.32 H new ATOM 0 HB3 GLU A 6 -8.994 7.594 -11.519 1.00 64.32 H new ATOM 0 HG2 GLU A 6 -8.285 5.181 -9.969 1.00 31.53 H new ATOM 0 HG3 GLU A 6 -7.754 6.679 -9.231 1.00 31.53 H new ATOM 80 N PRO A 7 -9.994 5.714 -14.109 1.00 42.03 N ATOM 81 CA PRO A 7 -10.764 6.137 -15.283 1.00 23.50 C ATOM 82 C PRO A 7 -11.539 7.426 -15.034 1.00 75.51 C ATOM 83 O PRO A 7 -12.539 7.431 -14.315 1.00 61.01 O ATOM 84 CB PRO A 7 -11.727 4.969 -15.515 1.00 5.34 C ATOM 85 CG PRO A 7 -11.872 4.327 -14.178 1.00 50.31 C ATOM 86 CD PRO A 7 -10.545 4.497 -13.491 1.00 35.13 C ATOM 0 HA PRO A 7 -10.121 6.353 -16.136 1.00 23.50 H new ATOM 0 HB2 PRO A 7 -12.688 5.317 -15.893 1.00 5.34 H new ATOM 0 HB3 PRO A 7 -11.330 4.268 -16.250 1.00 5.34 H new ATOM 0 HG2 PRO A 7 -12.671 4.796 -13.604 1.00 50.31 H new ATOM 0 HG3 PRO A 7 -12.128 3.272 -14.277 1.00 50.31 H new ATOM 0 HD2 PRO A 7 -10.662 4.611 -12.413 1.00 35.13 H new ATOM 0 HD3 PRO A 7 -9.896 3.636 -13.651 1.00 35.13 H new ATOM 94 N TYR A 8 -11.073 8.516 -15.633 1.00 34.21 N ATOM 95 CA TYR A 8 -11.723 9.812 -15.474 1.00 62.43 C ATOM 96 C TYR A 8 -12.056 10.079 -14.010 1.00 23.44 C ATOM 97 O TYR A 8 -13.124 9.705 -13.526 1.00 73.21 O ATOM 98 CB TYR A 8 -12.997 9.874 -16.318 1.00 32.40 C ATOM 99 CG TYR A 8 -13.241 8.628 -17.140 1.00 24.13 C ATOM 100 CD1 TYR A 8 -12.515 8.385 -18.300 1.00 33.32 C ATOM 101 CD2 TYR A 8 -14.196 7.695 -16.757 1.00 31.20 C ATOM 102 CE1 TYR A 8 -12.735 7.248 -19.054 1.00 44.42 C ATOM 103 CE2 TYR A 8 -14.421 6.555 -17.504 1.00 51.13 C ATOM 104 CZ TYR A 8 -13.688 6.336 -18.652 1.00 51.41 C ATOM 105 OH TYR A 8 -13.910 5.203 -19.400 1.00 72.02 O ATOM 0 H TYR A 8 -10.248 8.528 -16.233 1.00 34.21 H new ATOM 0 HA TYR A 8 -11.031 10.581 -15.816 1.00 62.43 H new ATOM 0 HB2 TYR A 8 -13.851 10.038 -15.660 1.00 32.40 H new ATOM 0 HB3 TYR A 8 -12.939 10.734 -16.986 1.00 32.40 H new ATOM 0 HD1 TYR A 8 -11.767 9.096 -18.617 1.00 33.32 H new ATOM 0 HD2 TYR A 8 -14.773 7.864 -15.860 1.00 31.20 H new ATOM 0 HE1 TYR A 8 -12.163 7.075 -19.954 1.00 44.42 H new ATOM 0 HE2 TYR A 8 -15.167 5.839 -17.191 1.00 51.13 H new ATOM 0 HH TYR A 8 -14.613 4.665 -18.979 1.00 72.02 H new ATOM 115 N SER A 9 -11.132 10.729 -13.309 1.00 32.44 N ATOM 116 CA SER A 9 -11.325 11.044 -11.898 1.00 24.11 C ATOM 117 C SER A 9 -10.570 12.314 -11.517 1.00 61.13 C ATOM 118 O SER A 9 -9.500 12.255 -10.911 1.00 42.32 O ATOM 119 CB SER A 9 -10.857 9.878 -11.025 1.00 10.04 C ATOM 120 OG SER A 9 -11.432 8.656 -11.455 1.00 1.25 O ATOM 0 H SER A 9 -10.243 11.047 -13.695 1.00 32.44 H new ATOM 0 HA SER A 9 -12.389 11.210 -11.730 1.00 24.11 H new ATOM 0 HB2 SER A 9 -9.770 9.805 -11.062 1.00 10.04 H new ATOM 0 HB3 SER A 9 -11.128 10.066 -9.986 1.00 10.04 H new ATOM 0 HG SER A 9 -11.681 8.119 -10.674 1.00 1.25 H new ATOM 126 N ASP A 10 -11.135 13.461 -11.877 1.00 72.25 N ATOM 127 CA ASP A 10 -10.518 14.746 -11.574 1.00 5.44 C ATOM 128 C ASP A 10 -10.260 14.885 -10.076 1.00 64.04 C ATOM 129 O ASP A 10 -9.337 15.584 -9.658 1.00 33.34 O ATOM 130 CB ASP A 10 -11.408 15.891 -12.058 1.00 50.54 C ATOM 131 CG ASP A 10 -12.612 16.107 -11.163 1.00 53.41 C ATOM 132 OD1 ASP A 10 -12.573 17.036 -10.328 1.00 63.24 O ATOM 133 OD2 ASP A 10 -13.595 15.349 -11.298 1.00 23.44 O ATOM 0 H ASP A 10 -12.020 13.527 -12.380 1.00 72.25 H new ATOM 0 HA ASP A 10 -9.562 14.794 -12.096 1.00 5.44 H new ATOM 0 HB2 ASP A 10 -10.822 16.809 -12.102 1.00 50.54 H new ATOM 0 HB3 ASP A 10 -11.746 15.680 -13.073 1.00 50.54 H new ATOM 138 N ALA A 11 -11.082 14.215 -9.275 1.00 44.31 N ATOM 139 CA ALA A 11 -10.942 14.263 -7.825 1.00 1.00 C ATOM 140 C ALA A 11 -9.706 13.496 -7.367 1.00 33.40 C ATOM 141 O ALA A 11 -9.238 13.668 -6.242 1.00 15.40 O ATOM 142 CB ALA A 11 -12.190 13.706 -7.156 1.00 23.11 C ATOM 0 H ALA A 11 -11.851 13.633 -9.606 1.00 44.31 H new ATOM 0 HA ALA A 11 -10.820 15.305 -7.530 1.00 1.00 H new ATOM 0 HB1 ALA A 11 -12.072 13.748 -6.073 1.00 23.11 H new ATOM 0 HB2 ALA A 11 -13.056 14.299 -7.450 1.00 23.11 H new ATOM 0 HB3 ALA A 11 -12.338 12.671 -7.465 1.00 23.11 H new ATOM 148 N ALA A 12 -9.183 12.647 -8.246 1.00 1.22 N ATOM 149 CA ALA A 12 -8.001 11.854 -7.932 1.00 2.34 C ATOM 150 C ALA A 12 -6.723 12.624 -8.249 1.00 13.24 C ATOM 151 O ALA A 12 -5.730 12.523 -7.528 1.00 14.04 O ATOM 152 CB ALA A 12 -8.030 10.539 -8.695 1.00 64.50 C ATOM 0 H ALA A 12 -9.559 12.491 -9.181 1.00 1.22 H new ATOM 0 HA ALA A 12 -8.010 11.641 -6.863 1.00 2.34 H new ATOM 0 HB1 ALA A 12 -7.141 9.957 -8.451 1.00 64.50 H new ATOM 0 HB2 ALA A 12 -8.921 9.976 -8.416 1.00 64.50 H new ATOM 0 HB3 ALA A 12 -8.049 10.740 -9.766 1.00 64.50 H new ATOM 158 N PHE A 13 -6.755 13.393 -9.332 1.00 2.20 N ATOM 159 CA PHE A 13 -5.598 14.179 -9.745 1.00 51.24 C ATOM 160 C PHE A 13 -5.021 14.959 -8.568 1.00 13.05 C ATOM 161 O PHE A 13 -3.810 15.159 -8.473 1.00 42.34 O ATOM 162 CB PHE A 13 -5.985 15.143 -10.869 1.00 71.11 C ATOM 163 CG PHE A 13 -5.025 16.286 -11.036 1.00 64.52 C ATOM 164 CD1 PHE A 13 -3.671 16.050 -11.211 1.00 64.34 C ATOM 165 CD2 PHE A 13 -5.476 17.595 -11.018 1.00 1.55 C ATOM 166 CE1 PHE A 13 -2.784 17.099 -11.366 1.00 31.11 C ATOM 167 CE2 PHE A 13 -4.594 18.649 -11.172 1.00 32.51 C ATOM 168 CZ PHE A 13 -3.247 18.400 -11.345 1.00 5.10 C ATOM 0 H PHE A 13 -7.569 13.489 -9.939 1.00 2.20 H new ATOM 0 HA PHE A 13 -4.835 13.491 -10.111 1.00 51.24 H new ATOM 0 HB2 PHE A 13 -6.045 14.590 -11.806 1.00 71.11 H new ATOM 0 HB3 PHE A 13 -6.980 15.541 -10.669 1.00 71.11 H new ATOM 0 HD1 PHE A 13 -3.304 15.034 -11.227 1.00 64.34 H new ATOM 0 HD2 PHE A 13 -6.529 17.795 -10.882 1.00 1.55 H new ATOM 0 HE1 PHE A 13 -1.731 16.902 -11.503 1.00 31.11 H new ATOM 0 HE2 PHE A 13 -4.958 19.666 -11.157 1.00 32.51 H new ATOM 0 HZ PHE A 13 -2.556 19.222 -11.464 1.00 5.10 H new ATOM 178 N THR A 14 -5.898 15.398 -7.670 1.00 11.22 N ATOM 179 CA THR A 14 -5.478 16.157 -6.499 1.00 0.41 C ATOM 180 C THR A 14 -5.009 15.232 -5.383 1.00 24.54 C ATOM 181 O THR A 14 -4.039 15.528 -4.686 1.00 23.14 O ATOM 182 CB THR A 14 -6.618 17.047 -5.967 1.00 63.15 C ATOM 183 OG1 THR A 14 -7.859 16.335 -6.018 1.00 51.04 O ATOM 184 CG2 THR A 14 -6.728 18.328 -6.780 1.00 53.03 C ATOM 0 H THR A 14 -6.904 15.241 -7.732 1.00 11.22 H new ATOM 0 HA THR A 14 -4.649 16.791 -6.815 1.00 0.41 H new ATOM 0 HB THR A 14 -6.393 17.310 -4.933 1.00 63.15 H new ATOM 0 HG1 THR A 14 -8.578 16.906 -5.677 1.00 51.04 H new ATOM 0 HG21 THR A 14 -7.539 18.940 -6.386 1.00 53.03 H new ATOM 0 HG22 THR A 14 -5.791 18.882 -6.715 1.00 53.03 H new ATOM 0 HG23 THR A 14 -6.932 18.081 -7.822 1.00 53.03 H new ATOM 192 N GLN A 15 -5.702 14.110 -5.220 1.00 34.34 N ATOM 193 CA GLN A 15 -5.355 13.141 -4.187 1.00 32.40 C ATOM 194 C GLN A 15 -4.005 12.495 -4.478 1.00 45.13 C ATOM 195 O GLN A 15 -3.312 12.044 -3.567 1.00 21.33 O ATOM 196 CB GLN A 15 -6.437 12.064 -4.084 1.00 62.20 C ATOM 197 CG GLN A 15 -7.841 12.625 -3.925 1.00 24.24 C ATOM 198 CD GLN A 15 -8.432 12.338 -2.559 1.00 31.04 C ATOM 199 OE1 GLN A 15 -9.136 11.345 -2.370 1.00 41.31 O ATOM 200 NE2 GLN A 15 -8.149 13.208 -1.596 1.00 61.20 N ATOM 0 H GLN A 15 -6.507 13.849 -5.790 1.00 34.34 H new ATOM 0 HA GLN A 15 -5.287 13.670 -3.236 1.00 32.40 H new ATOM 0 HB2 GLN A 15 -6.403 11.440 -4.977 1.00 62.20 H new ATOM 0 HB3 GLN A 15 -6.215 11.418 -3.235 1.00 62.20 H new ATOM 0 HG2 GLN A 15 -7.818 13.703 -4.088 1.00 24.24 H new ATOM 0 HG3 GLN A 15 -8.487 12.200 -4.693 1.00 24.24 H new ATOM 0 HE21 GLN A 15 -7.561 14.017 -1.796 1.00 61.20 H new ATOM 0 HE22 GLN A 15 -8.519 13.067 -0.656 1.00 61.20 H new ATOM 209 N ALA A 16 -3.637 12.455 -5.755 1.00 24.43 N ATOM 210 CA ALA A 16 -2.368 11.866 -6.166 1.00 31.22 C ATOM 211 C ALA A 16 -1.201 12.790 -5.836 1.00 12.41 C ATOM 212 O ALA A 16 -0.103 12.331 -5.526 1.00 64.30 O ATOM 213 CB ALA A 16 -2.390 11.551 -7.654 1.00 72.12 C ATOM 0 H ALA A 16 -4.199 12.823 -6.522 1.00 24.43 H new ATOM 0 HA ALA A 16 -2.230 10.938 -5.611 1.00 31.22 H new ATOM 0 HB1 ALA A 16 -1.436 11.112 -7.947 1.00 72.12 H new ATOM 0 HB2 ALA A 16 -3.194 10.846 -7.865 1.00 72.12 H new ATOM 0 HB3 ALA A 16 -2.555 12.469 -8.218 1.00 72.12 H new ATOM 219 N GLN A 17 -1.448 14.095 -5.906 1.00 23.45 N ATOM 220 CA GLN A 17 -0.416 15.083 -5.615 1.00 43.04 C ATOM 221 C GLN A 17 -0.384 15.416 -4.127 1.00 51.35 C ATOM 222 O GLN A 17 0.645 15.833 -3.597 1.00 20.45 O ATOM 223 CB GLN A 17 -0.655 16.355 -6.430 1.00 50.41 C ATOM 224 CG GLN A 17 -1.892 17.128 -6.002 1.00 52.12 C ATOM 225 CD GLN A 17 -1.980 18.495 -6.651 1.00 3.40 C ATOM 226 OE1 GLN A 17 -1.639 19.508 -6.039 1.00 41.45 O ATOM 227 NE2 GLN A 17 -2.438 18.532 -7.897 1.00 20.32 N ATOM 0 H GLN A 17 -2.352 14.492 -6.161 1.00 23.45 H new ATOM 0 HA GLN A 17 0.548 14.657 -5.893 1.00 43.04 H new ATOM 0 HB2 GLN A 17 0.217 17.003 -6.341 1.00 50.41 H new ATOM 0 HB3 GLN A 17 -0.749 16.090 -7.483 1.00 50.41 H new ATOM 0 HG2 GLN A 17 -2.782 16.552 -6.256 1.00 52.12 H new ATOM 0 HG3 GLN A 17 -1.886 17.244 -4.918 1.00 52.12 H new ATOM 0 HE21 GLN A 17 -2.709 17.668 -8.366 1.00 20.32 H new ATOM 0 HE22 GLN A 17 -2.518 19.424 -8.385 1.00 20.32 H new ATOM 236 N ALA A 18 -1.518 15.230 -3.460 1.00 54.53 N ATOM 237 CA ALA A 18 -1.620 15.510 -2.033 1.00 62.23 C ATOM 238 C ALA A 18 -1.093 14.342 -1.206 1.00 73.35 C ATOM 239 O ALA A 18 -1.057 14.405 0.022 1.00 34.03 O ATOM 240 CB ALA A 18 -3.062 15.818 -1.657 1.00 65.20 C ATOM 0 H ALA A 18 -2.379 14.887 -3.885 1.00 54.53 H new ATOM 0 HA ALA A 18 -1.005 16.383 -1.814 1.00 62.23 H new ATOM 0 HB1 ALA A 18 -3.123 16.025 -0.589 1.00 65.20 H new ATOM 0 HB2 ALA A 18 -3.406 16.689 -2.216 1.00 65.20 H new ATOM 0 HB3 ALA A 18 -3.692 14.961 -1.897 1.00 65.20 H new ATOM 246 N SER A 19 -0.686 13.276 -1.888 1.00 73.14 N ATOM 247 CA SER A 19 -0.166 12.091 -1.216 1.00 42.21 C ATOM 248 C SER A 19 1.357 12.042 -1.303 1.00 54.11 C ATOM 249 O SER A 19 2.000 11.218 -0.655 1.00 64.34 O ATOM 250 CB SER A 19 -0.764 10.825 -1.832 1.00 12.10 C ATOM 251 OG SER A 19 -2.054 10.563 -1.306 1.00 61.25 O ATOM 0 H SER A 19 -0.706 13.209 -2.906 1.00 73.14 H new ATOM 0 HA SER A 19 -0.452 12.145 -0.165 1.00 42.21 H new ATOM 0 HB2 SER A 19 -0.825 10.937 -2.914 1.00 12.10 H new ATOM 0 HB3 SER A 19 -0.108 9.977 -1.636 1.00 12.10 H new ATOM 0 HG SER A 19 -2.732 10.965 -1.888 1.00 61.25 H new ATOM 257 N GLY A 20 1.926 12.932 -2.110 1.00 2.41 N ATOM 258 CA GLY A 20 3.368 12.974 -2.268 1.00 42.51 C ATOM 259 C GLY A 20 3.914 11.732 -2.943 1.00 72.14 C ATOM 260 O GLY A 20 5.004 11.266 -2.614 1.00 1.24 O ATOM 0 H GLY A 20 1.414 13.624 -2.657 1.00 2.41 H new ATOM 0 HA2 GLY A 20 3.641 13.852 -2.854 1.00 42.51 H new ATOM 0 HA3 GLY A 20 3.834 13.087 -1.289 1.00 42.51 H new ATOM 264 N ALA A 21 3.153 11.193 -3.890 1.00 62.44 N ATOM 265 CA ALA A 21 3.567 9.997 -4.614 1.00 21.22 C ATOM 266 C ALA A 21 3.620 10.255 -6.116 1.00 24.32 C ATOM 267 O ALA A 21 3.043 11.215 -6.626 1.00 1.00 O ATOM 268 CB ALA A 21 2.625 8.842 -4.308 1.00 14.23 C ATOM 0 H ALA A 21 2.247 11.565 -4.174 1.00 62.44 H new ATOM 0 HA ALA A 21 4.570 9.731 -4.282 1.00 21.22 H new ATOM 0 HB1 ALA A 21 2.946 7.956 -4.855 1.00 14.23 H new ATOM 0 HB2 ALA A 21 2.641 8.633 -3.238 1.00 14.23 H new ATOM 0 HB3 ALA A 21 1.612 9.108 -4.611 1.00 14.23 H new ATOM 274 N PRO A 22 4.330 9.379 -6.843 1.00 32.44 N ATOM 275 CA PRO A 22 4.475 9.491 -8.297 1.00 4.11 C ATOM 276 C PRO A 22 3.173 9.198 -9.034 1.00 64.23 C ATOM 277 O PRO A 22 2.722 8.053 -9.087 1.00 44.53 O ATOM 278 CB PRO A 22 5.529 8.432 -8.631 1.00 3.32 C ATOM 279 CG PRO A 22 5.425 7.433 -7.531 1.00 14.45 C ATOM 280 CD PRO A 22 5.044 8.210 -6.301 1.00 1.54 C ATOM 0 HA PRO A 22 4.753 10.500 -8.602 1.00 4.11 H new ATOM 0 HB2 PRO A 22 5.336 7.974 -9.601 1.00 3.32 H new ATOM 0 HB3 PRO A 22 6.527 8.868 -8.677 1.00 3.32 H new ATOM 0 HG2 PRO A 22 4.676 6.675 -7.761 1.00 14.45 H new ATOM 0 HG3 PRO A 22 6.371 6.912 -7.386 1.00 14.45 H new ATOM 0 HD2 PRO A 22 4.409 7.624 -5.636 1.00 1.54 H new ATOM 0 HD3 PRO A 22 5.921 8.506 -5.725 1.00 1.54 H new ATOM 288 N VAL A 23 2.573 10.239 -9.603 1.00 22.41 N ATOM 289 CA VAL A 23 1.323 10.092 -10.339 1.00 42.10 C ATOM 290 C VAL A 23 1.277 11.034 -11.537 1.00 10.23 C ATOM 291 O VAL A 23 1.362 12.254 -11.385 1.00 73.41 O ATOM 292 CB VAL A 23 0.105 10.366 -9.437 1.00 2.11 C ATOM 293 CG1 VAL A 23 -1.171 9.862 -10.094 1.00 65.31 C ATOM 294 CG2 VAL A 23 0.300 9.726 -8.071 1.00 11.13 C ATOM 0 H VAL A 23 2.932 11.193 -9.568 1.00 22.41 H new ATOM 0 HA VAL A 23 1.281 9.061 -10.689 1.00 42.10 H new ATOM 0 HB VAL A 23 0.012 11.443 -9.299 1.00 2.11 H new ATOM 0 HG11 VAL A 23 -2.021 10.064 -9.442 1.00 65.31 H new ATOM 0 HG12 VAL A 23 -1.315 10.371 -11.047 1.00 65.31 H new ATOM 0 HG13 VAL A 23 -1.093 8.788 -10.265 1.00 65.31 H new ATOM 0 HG21 VAL A 23 -0.570 9.929 -7.446 1.00 11.13 H new ATOM 0 HG22 VAL A 23 0.419 8.649 -8.188 1.00 11.13 H new ATOM 0 HG23 VAL A 23 1.191 10.141 -7.599 1.00 11.13 H new ATOM 304 N LEU A 24 1.142 10.462 -12.728 1.00 33.43 N ATOM 305 CA LEU A 24 1.083 11.250 -13.954 1.00 3.34 C ATOM 306 C LEU A 24 -0.335 11.283 -14.513 1.00 14.42 C ATOM 307 O LEU A 24 -1.106 10.339 -14.337 1.00 3.45 O ATOM 308 CB LEU A 24 2.042 10.677 -14.998 1.00 63.04 C ATOM 309 CG LEU A 24 1.840 11.164 -16.434 1.00 22.23 C ATOM 310 CD1 LEU A 24 3.170 11.221 -17.170 1.00 54.21 C ATOM 311 CD2 LEU A 24 0.859 10.262 -17.169 1.00 43.55 C ATOM 0 H LEU A 24 1.071 9.455 -12.871 1.00 33.43 H new ATOM 0 HA LEU A 24 1.383 12.270 -13.715 1.00 3.34 H new ATOM 0 HB2 LEU A 24 3.062 10.915 -14.695 1.00 63.04 H new ATOM 0 HB3 LEU A 24 1.952 9.591 -14.988 1.00 63.04 H new ATOM 0 HG LEU A 24 1.423 12.171 -16.402 1.00 22.23 H new ATOM 0 HD11 LEU A 24 3.007 11.569 -18.190 1.00 54.21 H new ATOM 0 HD12 LEU A 24 3.842 11.908 -16.655 1.00 54.21 H new ATOM 0 HD13 LEU A 24 3.616 10.227 -17.193 1.00 54.21 H new ATOM 0 HD21 LEU A 24 0.727 10.623 -18.189 1.00 43.55 H new ATOM 0 HD22 LEU A 24 1.248 9.244 -17.192 1.00 43.55 H new ATOM 0 HD23 LEU A 24 -0.101 10.272 -16.653 1.00 43.55 H new ATOM 323 N VAL A 25 -0.674 12.376 -15.190 1.00 1.22 N ATOM 324 CA VAL A 25 -1.999 12.531 -15.778 1.00 42.22 C ATOM 325 C VAL A 25 -1.937 12.457 -17.300 1.00 24.33 C ATOM 326 O VAL A 25 -1.028 13.008 -17.922 1.00 14.02 O ATOM 327 CB VAL A 25 -2.643 13.868 -15.367 1.00 2.54 C ATOM 328 CG1 VAL A 25 -4.102 13.913 -15.795 1.00 4.02 C ATOM 329 CG2 VAL A 25 -2.512 14.083 -13.866 1.00 72.32 C ATOM 0 H VAL A 25 -0.049 13.167 -15.345 1.00 1.22 H new ATOM 0 HA VAL A 25 -2.610 11.711 -15.401 1.00 42.22 H new ATOM 0 HB VAL A 25 -2.116 14.676 -15.874 1.00 2.54 H new ATOM 0 HG11 VAL A 25 -4.540 14.865 -15.496 1.00 4.02 H new ATOM 0 HG12 VAL A 25 -4.167 13.808 -16.878 1.00 4.02 H new ATOM 0 HG13 VAL A 25 -4.646 13.098 -15.318 1.00 4.02 H new ATOM 0 HG21 VAL A 25 -2.972 15.033 -13.593 1.00 72.32 H new ATOM 0 HG22 VAL A 25 -3.012 13.272 -13.337 1.00 72.32 H new ATOM 0 HG23 VAL A 25 -1.457 14.099 -13.591 1.00 72.32 H new ATOM 339 N ASP A 26 -2.908 11.772 -17.893 1.00 60.00 N ATOM 340 CA ASP A 26 -2.965 11.626 -19.343 1.00 12.21 C ATOM 341 C ASP A 26 -4.406 11.697 -19.840 1.00 2.42 C ATOM 342 O ASP A 26 -5.186 10.764 -19.651 1.00 23.14 O ATOM 343 CB ASP A 26 -2.330 10.302 -19.769 1.00 75.41 C ATOM 344 CG ASP A 26 -1.550 10.424 -21.063 1.00 23.51 C ATOM 345 OD1 ASP A 26 -0.787 9.489 -21.386 1.00 61.14 O ATOM 346 OD2 ASP A 26 -1.702 11.453 -21.752 1.00 50.25 O ATOM 0 H ASP A 26 -3.667 11.309 -17.392 1.00 60.00 H new ATOM 0 HA ASP A 26 -2.405 12.448 -19.789 1.00 12.21 H new ATOM 0 HB2 ASP A 26 -1.666 9.950 -18.980 1.00 75.41 H new ATOM 0 HB3 ASP A 26 -3.110 9.550 -19.888 1.00 75.41 H new ATOM 351 N VAL A 27 -4.753 12.812 -20.476 1.00 2.04 N ATOM 352 CA VAL A 27 -6.099 13.006 -21.000 1.00 35.52 C ATOM 353 C VAL A 27 -6.252 12.364 -22.374 1.00 64.42 C ATOM 354 O VAL A 27 -5.310 12.339 -23.167 1.00 50.12 O ATOM 355 CB VAL A 27 -6.452 14.501 -21.102 1.00 15.31 C ATOM 356 CG1 VAL A 27 -7.960 14.699 -21.047 1.00 4.44 C ATOM 357 CG2 VAL A 27 -5.762 15.288 -19.998 1.00 32.22 C ATOM 0 H VAL A 27 -4.120 13.595 -20.640 1.00 2.04 H new ATOM 0 HA VAL A 27 -6.783 12.526 -20.300 1.00 35.52 H new ATOM 0 HB VAL A 27 -6.095 14.876 -22.061 1.00 15.31 H new ATOM 0 HG11 VAL A 27 -8.190 15.762 -21.120 1.00 4.44 H new ATOM 0 HG12 VAL A 27 -8.427 14.168 -21.877 1.00 4.44 H new ATOM 0 HG13 VAL A 27 -8.344 14.309 -20.104 1.00 4.44 H new ATOM 0 HG21 VAL A 27 -6.023 16.343 -20.086 1.00 32.22 H new ATOM 0 HG22 VAL A 27 -6.086 14.913 -19.027 1.00 32.22 H new ATOM 0 HG23 VAL A 27 -4.682 15.173 -20.089 1.00 32.22 H new ATOM 367 N TYR A 28 -7.443 11.845 -22.650 1.00 51.42 N ATOM 368 CA TYR A 28 -7.719 11.201 -23.929 1.00 2.12 C ATOM 369 C TYR A 28 -9.115 11.559 -24.429 1.00 42.25 C ATOM 370 O TYR A 28 -9.964 12.012 -23.663 1.00 11.13 O ATOM 371 CB TYR A 28 -7.586 9.683 -23.798 1.00 23.01 C ATOM 372 CG TYR A 28 -8.866 8.997 -23.379 1.00 72.30 C ATOM 373 CD1 TYR A 28 -9.736 8.468 -24.325 1.00 42.43 C ATOM 374 CD2 TYR A 28 -9.207 8.877 -22.037 1.00 51.45 C ATOM 375 CE1 TYR A 28 -10.907 7.841 -23.947 1.00 53.15 C ATOM 376 CE2 TYR A 28 -10.376 8.250 -21.650 1.00 44.54 C ATOM 377 CZ TYR A 28 -11.222 7.734 -22.609 1.00 14.20 C ATOM 378 OH TYR A 28 -12.388 7.110 -22.228 1.00 11.25 O ATOM 0 H TYR A 28 -8.233 11.858 -22.005 1.00 51.42 H new ATOM 0 HA TYR A 28 -6.989 11.562 -24.654 1.00 2.12 H new ATOM 0 HB2 TYR A 28 -7.259 9.272 -24.753 1.00 23.01 H new ATOM 0 HB3 TYR A 28 -6.807 9.456 -23.070 1.00 23.01 H new ATOM 0 HD1 TYR A 28 -9.492 8.549 -25.374 1.00 42.43 H new ATOM 0 HD2 TYR A 28 -8.547 9.281 -21.284 1.00 51.45 H new ATOM 0 HE1 TYR A 28 -11.572 7.437 -24.695 1.00 53.15 H new ATOM 0 HE2 TYR A 28 -10.626 8.165 -20.603 1.00 44.54 H new ATOM 0 HH TYR A 28 -12.753 7.555 -21.435 1.00 11.25 H new ATOM 388 N ALA A 29 -9.344 11.352 -25.722 1.00 61.30 N ATOM 389 CA ALA A 29 -10.637 11.649 -26.326 1.00 44.41 C ATOM 390 C ALA A 29 -11.184 10.440 -27.076 1.00 64.32 C ATOM 391 O ALA A 29 -10.495 9.431 -27.233 1.00 13.03 O ATOM 392 CB ALA A 29 -10.520 12.844 -27.261 1.00 44.02 C ATOM 0 H ALA A 29 -8.651 10.980 -26.371 1.00 61.30 H new ATOM 0 HA ALA A 29 -11.336 11.894 -25.526 1.00 44.41 H new ATOM 0 HB1 ALA A 29 -11.493 13.055 -27.705 1.00 44.02 H new ATOM 0 HB2 ALA A 29 -10.182 13.714 -26.699 1.00 44.02 H new ATOM 0 HB3 ALA A 29 -9.802 12.620 -28.050 1.00 44.02 H new ATOM 398 N ASP A 30 -12.425 10.547 -27.537 1.00 41.12 N ATOM 399 CA ASP A 30 -13.064 9.462 -28.272 1.00 34.55 C ATOM 400 C ASP A 30 -12.174 8.979 -29.412 1.00 71.23 C ATOM 401 O ASP A 30 -12.023 7.776 -29.629 1.00 12.35 O ATOM 402 CB ASP A 30 -14.417 9.917 -28.821 1.00 72.42 C ATOM 403 CG ASP A 30 -15.397 8.769 -28.971 1.00 1.42 C ATOM 404 OD1 ASP A 30 -15.555 7.994 -28.005 1.00 21.24 O ATOM 405 OD2 ASP A 30 -16.006 8.648 -30.054 1.00 34.33 O ATOM 0 H ASP A 30 -13.009 11.374 -27.415 1.00 41.12 H new ATOM 0 HA ASP A 30 -13.221 8.632 -27.583 1.00 34.55 H new ATOM 0 HB2 ASP A 30 -14.842 10.669 -28.156 1.00 72.42 H new ATOM 0 HB3 ASP A 30 -14.271 10.395 -29.790 1.00 72.42 H new ATOM 410 N TRP A 31 -11.588 9.924 -30.139 1.00 34.50 N ATOM 411 CA TRP A 31 -10.714 9.594 -31.259 1.00 1.12 C ATOM 412 C TRP A 31 -9.887 10.805 -31.678 1.00 21.50 C ATOM 413 O TRP A 31 -9.889 11.194 -32.846 1.00 45.43 O ATOM 414 CB TRP A 31 -11.538 9.088 -32.444 1.00 44.42 C ATOM 415 CG TRP A 31 -10.802 8.104 -33.302 1.00 45.43 C ATOM 416 CD1 TRP A 31 -9.453 8.044 -33.508 1.00 2.30 C ATOM 417 CD2 TRP A 31 -11.374 7.041 -34.071 1.00 54.12 C ATOM 418 NE1 TRP A 31 -9.153 7.008 -34.358 1.00 64.45 N ATOM 419 CE2 TRP A 31 -10.314 6.376 -34.717 1.00 40.25 C ATOM 420 CE3 TRP A 31 -12.679 6.585 -34.275 1.00 33.31 C ATOM 421 CZ2 TRP A 31 -10.521 5.282 -35.553 1.00 20.43 C ATOM 422 CZ3 TRP A 31 -12.883 5.498 -35.104 1.00 51.44 C ATOM 423 CH2 TRP A 31 -11.809 4.856 -35.734 1.00 42.24 C ATOM 0 H TRP A 31 -11.702 10.924 -29.973 1.00 34.50 H new ATOM 0 HA TRP A 31 -10.033 8.806 -30.937 1.00 1.12 H new ATOM 0 HB2 TRP A 31 -12.450 8.623 -32.071 1.00 44.42 H new ATOM 0 HB3 TRP A 31 -11.841 9.938 -33.056 1.00 44.42 H new ATOM 0 HD1 TRP A 31 -8.729 8.713 -33.067 1.00 2.30 H new ATOM 0 HE1 TRP A 31 -8.217 6.751 -34.671 1.00 64.45 H new ATOM 0 HE3 TRP A 31 -13.513 7.073 -33.793 1.00 33.31 H new ATOM 0 HZ2 TRP A 31 -9.695 4.787 -36.041 1.00 20.43 H new ATOM 0 HZ3 TRP A 31 -13.888 5.137 -35.269 1.00 51.44 H new ATOM 0 HH2 TRP A 31 -12.001 4.008 -36.375 1.00 42.24 H new ATOM 434 N CYS A 32 -9.182 11.395 -30.719 1.00 62.52 N ATOM 435 CA CYS A 32 -8.350 12.562 -30.990 1.00 32.11 C ATOM 436 C CYS A 32 -7.066 12.160 -31.707 1.00 25.11 C ATOM 437 O CYS A 32 -6.652 11.000 -31.689 1.00 55.22 O ATOM 438 CB CYS A 32 -8.015 13.288 -29.686 1.00 52.55 C ATOM 439 SG CYS A 32 -8.933 14.827 -29.442 1.00 42.22 S ATOM 0 H CYS A 32 -9.170 11.085 -29.747 1.00 62.52 H new ATOM 0 HA CYS A 32 -8.911 13.235 -31.639 1.00 32.11 H new ATOM 0 HB2 CYS A 32 -8.217 12.620 -28.849 1.00 52.55 H new ATOM 0 HB3 CYS A 32 -6.947 13.507 -29.669 1.00 52.55 H new ATOM 0 HG CYS A 32 -8.438 15.472 -28.428 1.00 42.22 H new ATOM 445 N PRO A 33 -6.418 13.139 -32.355 1.00 51.42 N ATOM 446 CA PRO A 33 -5.171 12.912 -33.092 1.00 33.31 C ATOM 447 C PRO A 33 -3.997 12.615 -32.166 1.00 22.50 C ATOM 448 O PRO A 33 -3.001 12.021 -32.581 1.00 10.24 O ATOM 449 CB PRO A 33 -4.949 14.234 -33.830 1.00 40.11 C ATOM 450 CG PRO A 33 -5.664 15.251 -33.009 1.00 50.13 C ATOM 451 CD PRO A 33 -6.853 14.545 -32.418 1.00 61.14 C ATOM 0 HA PRO A 33 -5.239 12.047 -33.751 1.00 33.31 H new ATOM 0 HB2 PRO A 33 -3.888 14.468 -33.913 1.00 40.11 H new ATOM 0 HB3 PRO A 33 -5.347 14.193 -34.844 1.00 40.11 H new ATOM 0 HG2 PRO A 33 -5.016 15.646 -32.227 1.00 50.13 H new ATOM 0 HG3 PRO A 33 -5.977 16.097 -33.621 1.00 50.13 H new ATOM 0 HD2 PRO A 33 -7.101 14.934 -31.430 1.00 61.14 H new ATOM 0 HD3 PRO A 33 -7.741 14.664 -33.039 1.00 61.14 H new ATOM 459 N VAL A 34 -4.120 13.030 -30.909 1.00 41.33 N ATOM 460 CA VAL A 34 -3.069 12.807 -29.924 1.00 22.02 C ATOM 461 C VAL A 34 -3.114 11.382 -29.385 1.00 75.40 C ATOM 462 O VAL A 34 -2.119 10.658 -29.430 1.00 2.15 O ATOM 463 CB VAL A 34 -3.185 13.793 -28.746 1.00 42.24 C ATOM 464 CG1 VAL A 34 -2.137 13.486 -27.687 1.00 74.31 C ATOM 465 CG2 VAL A 34 -3.053 15.227 -29.238 1.00 32.22 C ATOM 0 H VAL A 34 -4.937 13.523 -30.549 1.00 41.33 H new ATOM 0 HA VAL A 34 -2.119 12.970 -30.433 1.00 22.02 H new ATOM 0 HB VAL A 34 -4.169 13.677 -28.293 1.00 42.24 H new ATOM 0 HG11 VAL A 34 -2.235 14.193 -26.863 1.00 74.31 H new ATOM 0 HG12 VAL A 34 -2.282 12.472 -27.315 1.00 74.31 H new ATOM 0 HG13 VAL A 34 -1.142 13.573 -28.124 1.00 74.31 H new ATOM 0 HG21 VAL A 34 -3.137 15.911 -28.393 1.00 32.22 H new ATOM 0 HG22 VAL A 34 -2.083 15.360 -29.717 1.00 32.22 H new ATOM 0 HG23 VAL A 34 -3.844 15.439 -29.957 1.00 32.22 H new ATOM 475 N CYS A 35 -4.276 10.984 -28.877 1.00 3.20 N ATOM 476 CA CYS A 35 -4.452 9.644 -28.329 1.00 3.14 C ATOM 477 C CYS A 35 -4.404 8.594 -29.434 1.00 31.14 C ATOM 478 O CYS A 35 -4.106 7.426 -29.183 1.00 32.20 O ATOM 479 CB CYS A 35 -5.779 9.549 -27.575 1.00 52.21 C ATOM 480 SG CYS A 35 -6.128 7.910 -26.897 1.00 63.52 S ATOM 0 H CYS A 35 -5.110 11.570 -28.833 1.00 3.20 H new ATOM 0 HA CYS A 35 -3.634 9.452 -27.635 1.00 3.14 H new ATOM 0 HB2 CYS A 35 -5.774 10.274 -26.761 1.00 52.21 H new ATOM 0 HB3 CYS A 35 -6.588 9.831 -28.249 1.00 52.21 H new ATOM 0 HG CYS A 35 -5.431 7.018 -27.536 1.00 63.52 H new ATOM 486 N LYS A 36 -4.701 9.017 -30.658 1.00 32.23 N ATOM 487 CA LYS A 36 -4.693 8.114 -31.803 1.00 31.14 C ATOM 488 C LYS A 36 -3.277 7.929 -32.340 1.00 34.25 C ATOM 489 O LYS A 36 -2.919 6.850 -32.811 1.00 24.30 O ATOM 490 CB LYS A 36 -5.603 8.652 -32.909 1.00 12.10 C ATOM 491 CG LYS A 36 -5.594 7.805 -34.170 1.00 0.22 C ATOM 492 CD LYS A 36 -4.550 8.292 -35.161 1.00 23.33 C ATOM 493 CE LYS A 36 -5.161 9.206 -36.211 1.00 13.31 C ATOM 494 NZ LYS A 36 -5.920 8.441 -37.239 1.00 12.14 N ATOM 0 H LYS A 36 -4.950 9.980 -30.883 1.00 32.23 H new ATOM 0 HA LYS A 36 -5.067 7.145 -31.473 1.00 31.14 H new ATOM 0 HB2 LYS A 36 -6.623 8.714 -32.530 1.00 12.10 H new ATOM 0 HB3 LYS A 36 -5.294 9.667 -33.161 1.00 12.10 H new ATOM 0 HG2 LYS A 36 -5.393 6.766 -33.910 1.00 0.22 H new ATOM 0 HG3 LYS A 36 -6.579 7.833 -34.635 1.00 0.22 H new ATOM 0 HD2 LYS A 36 -3.762 8.824 -34.628 1.00 23.33 H new ATOM 0 HD3 LYS A 36 -4.083 7.436 -35.649 1.00 23.33 H new ATOM 0 HE2 LYS A 36 -5.826 9.922 -35.727 1.00 13.31 H new ATOM 0 HE3 LYS A 36 -4.372 9.781 -36.695 1.00 13.31 H new ATOM 0 HZ1 LYS A 36 -6.263 9.093 -37.973 1.00 12.14 H new ATOM 0 HZ2 LYS A 36 -5.298 7.729 -37.672 1.00 12.14 H new ATOM 0 HZ3 LYS A 36 -6.730 7.966 -36.791 1.00 12.14 H new ATOM 508 N ARG A 37 -2.477 8.987 -32.263 1.00 55.45 N ATOM 509 CA ARG A 37 -1.101 8.941 -32.742 1.00 30.33 C ATOM 510 C ARG A 37 -0.156 8.486 -31.634 1.00 5.45 C ATOM 511 O ARG A 37 0.933 7.979 -31.903 1.00 74.31 O ATOM 512 CB ARG A 37 -0.672 10.314 -33.261 1.00 53.24 C ATOM 513 CG ARG A 37 -1.339 10.706 -34.570 1.00 33.32 C ATOM 514 CD ARG A 37 -0.392 10.543 -35.748 1.00 73.44 C ATOM 515 NE ARG A 37 0.192 11.816 -36.162 1.00 34.24 N ATOM 516 CZ ARG A 37 -0.490 12.767 -36.791 1.00 24.03 C ATOM 517 NH1 ARG A 37 -1.772 12.590 -37.077 1.00 60.31 N ATOM 518 NH2 ARG A 37 0.112 13.899 -37.134 1.00 71.23 N ATOM 0 H ARG A 37 -2.758 9.887 -31.873 1.00 55.45 H new ATOM 0 HA ARG A 37 -1.051 8.221 -33.559 1.00 30.33 H new ATOM 0 HB2 ARG A 37 -0.902 11.066 -32.506 1.00 53.24 H new ATOM 0 HB3 ARG A 37 0.409 10.320 -33.398 1.00 53.24 H new ATOM 0 HG2 ARG A 37 -2.225 10.091 -34.726 1.00 33.32 H new ATOM 0 HG3 ARG A 37 -1.675 11.741 -34.513 1.00 33.32 H new ATOM 0 HD2 ARG A 37 0.405 9.849 -35.479 1.00 73.44 H new ATOM 0 HD3 ARG A 37 -0.930 10.101 -36.587 1.00 73.44 H new ATOM 0 HE ARG A 37 1.177 11.984 -35.957 1.00 34.24 H new ATOM 0 HH11 ARG A 37 -2.238 11.722 -36.814 1.00 60.31 H new ATOM 0 HH12 ARG A 37 -2.293 13.322 -37.560 1.00 60.31 H new ATOM 0 HH21 ARG A 37 1.098 14.039 -36.915 1.00 71.23 H new ATOM 0 HH22 ARG A 37 -0.412 14.629 -37.617 1.00 71.23 H new ATOM 532 N GLN A 38 -0.579 8.674 -30.388 1.00 31.43 N ATOM 533 CA GLN A 38 0.231 8.284 -29.239 1.00 53.14 C ATOM 534 C GLN A 38 0.072 6.797 -28.941 1.00 64.10 C ATOM 535 O GLN A 38 0.911 6.197 -28.270 1.00 22.21 O ATOM 536 CB GLN A 38 -0.160 9.107 -28.011 1.00 3.34 C ATOM 537 CG GLN A 38 0.520 8.649 -26.730 1.00 74.33 C ATOM 538 CD GLN A 38 0.120 9.480 -25.527 1.00 51.45 C ATOM 539 OE1 GLN A 38 -0.514 8.982 -24.597 1.00 12.31 O ATOM 540 NE2 GLN A 38 0.490 10.756 -25.540 1.00 33.31 N ATOM 0 H GLN A 38 -1.477 9.094 -30.148 1.00 31.43 H new ATOM 0 HA GLN A 38 1.276 8.478 -29.480 1.00 53.14 H new ATOM 0 HB2 GLN A 38 0.089 10.153 -28.191 1.00 3.34 H new ATOM 0 HB3 GLN A 38 -1.241 9.055 -27.878 1.00 3.34 H new ATOM 0 HG2 GLN A 38 0.270 7.604 -26.544 1.00 74.33 H new ATOM 0 HG3 GLN A 38 1.601 8.700 -26.859 1.00 74.33 H new ATOM 0 HE21 GLN A 38 1.015 11.127 -26.332 1.00 33.31 H new ATOM 0 HE22 GLN A 38 0.249 11.365 -24.758 1.00 33.31 H new ATOM 549 N GLU A 39 -1.009 6.209 -29.444 1.00 44.11 N ATOM 550 CA GLU A 39 -1.276 4.792 -29.230 1.00 34.24 C ATOM 551 C GLU A 39 -0.087 3.941 -29.665 1.00 45.30 C ATOM 552 O GLU A 39 0.094 2.819 -29.192 1.00 1.20 O ATOM 553 CB GLU A 39 -2.530 4.365 -29.996 1.00 50.11 C ATOM 554 CG GLU A 39 -2.314 4.241 -31.495 1.00 31.41 C ATOM 555 CD GLU A 39 -3.616 4.156 -32.267 1.00 35.41 C ATOM 556 OE1 GLU A 39 -4.646 4.634 -31.746 1.00 72.24 O ATOM 557 OE2 GLU A 39 -3.606 3.611 -33.390 1.00 54.05 O ATOM 0 H GLU A 39 -1.713 6.692 -30.002 1.00 44.11 H new ATOM 0 HA GLU A 39 -1.440 4.637 -28.163 1.00 34.24 H new ATOM 0 HB2 GLU A 39 -2.875 3.407 -29.607 1.00 50.11 H new ATOM 0 HB3 GLU A 39 -3.323 5.089 -29.810 1.00 50.11 H new ATOM 0 HG2 GLU A 39 -1.742 5.099 -31.848 1.00 31.41 H new ATOM 0 HG3 GLU A 39 -1.716 3.353 -31.700 1.00 31.41 H new ATOM 564 N ARG A 40 0.722 4.484 -30.570 1.00 14.02 N ATOM 565 CA ARG A 40 1.893 3.775 -31.071 1.00 11.30 C ATOM 566 C ARG A 40 3.086 3.969 -30.139 1.00 54.32 C ATOM 567 O ARG A 40 3.921 3.078 -29.992 1.00 1.00 O ATOM 568 CB ARG A 40 2.247 4.262 -32.478 1.00 34.34 C ATOM 569 CG ARG A 40 3.505 3.625 -33.044 1.00 20.51 C ATOM 570 CD ARG A 40 3.426 2.106 -33.007 1.00 54.44 C ATOM 571 NE ARG A 40 2.318 1.597 -33.812 1.00 64.20 N ATOM 572 CZ ARG A 40 2.033 0.305 -33.935 1.00 50.32 C ATOM 573 NH1 ARG A 40 2.769 -0.602 -33.309 1.00 61.41 N ATOM 574 NH2 ARG A 40 1.009 -0.080 -34.686 1.00 32.44 N ATOM 0 H ARG A 40 0.587 5.412 -30.971 1.00 14.02 H new ATOM 0 HA ARG A 40 1.654 2.712 -31.111 1.00 11.30 H new ATOM 0 HB2 ARG A 40 1.412 4.053 -33.146 1.00 34.34 H new ATOM 0 HB3 ARG A 40 2.376 5.344 -32.457 1.00 34.34 H new ATOM 0 HG2 ARG A 40 3.652 3.958 -34.072 1.00 20.51 H new ATOM 0 HG3 ARG A 40 4.372 3.959 -32.474 1.00 20.51 H new ATOM 0 HD2 ARG A 40 4.363 1.685 -33.372 1.00 54.44 H new ATOM 0 HD3 ARG A 40 3.308 1.774 -31.976 1.00 54.44 H new ATOM 0 HE ARG A 40 1.732 2.270 -34.306 1.00 64.20 H new ATOM 0 HH11 ARG A 40 3.557 -0.309 -32.731 1.00 61.41 H new ATOM 0 HH12 ARG A 40 2.548 -1.593 -33.405 1.00 61.41 H new ATOM 0 HH21 ARG A 40 0.441 0.616 -35.169 1.00 32.44 H new ATOM 0 HH22 ARG A 40 0.790 -1.072 -34.780 1.00 32.44 H new ATOM 588 N GLU A 41 3.157 5.140 -29.514 1.00 1.15 N ATOM 589 CA GLU A 41 4.248 5.451 -28.598 1.00 23.45 C ATOM 590 C GLU A 41 3.898 5.033 -27.172 1.00 54.32 C ATOM 591 O GLU A 41 4.731 5.108 -26.268 1.00 62.34 O ATOM 592 CB GLU A 41 4.568 6.946 -28.639 1.00 3.34 C ATOM 593 CG GLU A 41 5.303 7.377 -29.897 1.00 54.31 C ATOM 594 CD GLU A 41 6.703 6.802 -29.981 1.00 43.50 C ATOM 595 OE1 GLU A 41 7.048 6.234 -31.038 1.00 60.32 O ATOM 596 OE2 GLU A 41 7.454 6.921 -28.991 1.00 22.15 O ATOM 0 H GLU A 41 2.473 5.888 -29.625 1.00 1.15 H new ATOM 0 HA GLU A 41 5.127 4.890 -28.917 1.00 23.45 H new ATOM 0 HB2 GLU A 41 3.639 7.510 -28.560 1.00 3.34 H new ATOM 0 HB3 GLU A 41 5.172 7.204 -27.769 1.00 3.34 H new ATOM 0 HG2 GLU A 41 4.733 7.064 -30.772 1.00 54.31 H new ATOM 0 HG3 GLU A 41 5.359 8.465 -29.926 1.00 54.31 H new ATOM 603 N LEU A 42 2.659 4.595 -26.979 1.00 33.25 N ATOM 604 CA LEU A 42 2.196 4.166 -25.663 1.00 72.33 C ATOM 605 C LEU A 42 3.003 2.972 -25.165 1.00 24.43 C ATOM 606 O LEU A 42 2.972 2.638 -23.980 1.00 22.33 O ATOM 607 CB LEU A 42 0.710 3.805 -25.716 1.00 62.24 C ATOM 608 CG LEU A 42 0.179 2.973 -24.548 1.00 43.41 C ATOM 609 CD1 LEU A 42 0.273 3.758 -23.249 1.00 33.13 C ATOM 610 CD2 LEU A 42 -1.256 2.541 -24.810 1.00 61.22 C ATOM 0 H LEU A 42 1.957 4.527 -27.716 1.00 33.25 H new ATOM 0 HA LEU A 42 2.338 4.993 -24.967 1.00 72.33 H new ATOM 0 HB2 LEU A 42 0.134 4.729 -25.769 1.00 62.24 H new ATOM 0 HB3 LEU A 42 0.522 3.258 -26.640 1.00 62.24 H new ATOM 0 HG LEU A 42 0.795 2.078 -24.454 1.00 43.41 H new ATOM 0 HD11 LEU A 42 -0.109 3.151 -22.428 1.00 33.13 H new ATOM 0 HD12 LEU A 42 1.314 4.017 -23.055 1.00 33.13 H new ATOM 0 HD13 LEU A 42 -0.318 4.670 -23.331 1.00 33.13 H new ATOM 0 HD21 LEU A 42 -1.617 1.950 -23.969 1.00 61.22 H new ATOM 0 HD22 LEU A 42 -1.885 3.423 -24.931 1.00 61.22 H new ATOM 0 HD23 LEU A 42 -1.295 1.940 -25.719 1.00 61.22 H new ATOM 622 N THR A 43 3.729 2.332 -26.077 1.00 33.31 N ATOM 623 CA THR A 43 4.546 1.176 -25.730 1.00 74.42 C ATOM 624 C THR A 43 5.883 1.605 -25.138 1.00 41.12 C ATOM 625 O THR A 43 6.196 1.325 -23.981 1.00 15.23 O ATOM 626 CB THR A 43 4.804 0.282 -26.958 1.00 32.21 C ATOM 627 OG1 THR A 43 4.277 0.903 -28.136 1.00 4.13 O ATOM 628 CG2 THR A 43 4.168 -1.088 -26.773 1.00 51.24 C ATOM 0 H THR A 43 3.768 2.595 -27.062 1.00 33.31 H new ATOM 0 HA THR A 43 3.989 0.607 -24.986 1.00 74.42 H new ATOM 0 HB THR A 43 5.881 0.154 -27.067 1.00 32.21 H new ATOM 0 HG1 THR A 43 4.447 0.329 -28.912 1.00 4.13 H new ATOM 0 HG21 THR A 43 4.363 -1.702 -27.652 1.00 51.24 H new ATOM 0 HG22 THR A 43 4.592 -1.570 -25.892 1.00 51.24 H new ATOM 0 HG23 THR A 43 3.092 -0.975 -26.641 1.00 51.24 H new ATOM 636 N PRO A 44 6.693 2.302 -25.949 1.00 3.34 N ATOM 637 CA PRO A 44 8.011 2.787 -25.525 1.00 75.53 C ATOM 638 C PRO A 44 7.913 3.908 -24.497 1.00 32.03 C ATOM 639 O PRO A 44 8.661 3.934 -23.518 1.00 74.32 O ATOM 640 CB PRO A 44 8.632 3.305 -26.824 1.00 41.25 C ATOM 641 CG PRO A 44 7.469 3.655 -27.688 1.00 22.14 C ATOM 642 CD PRO A 44 6.385 2.672 -27.340 1.00 65.14 C ATOM 0 HA PRO A 44 8.596 2.006 -25.038 1.00 75.53 H new ATOM 0 HB2 PRO A 44 9.265 4.174 -26.641 1.00 41.25 H new ATOM 0 HB3 PRO A 44 9.259 2.547 -27.293 1.00 41.25 H new ATOM 0 HG2 PRO A 44 7.141 4.678 -27.506 1.00 22.14 H new ATOM 0 HG3 PRO A 44 7.733 3.588 -28.744 1.00 22.14 H new ATOM 0 HD2 PRO A 44 5.395 3.119 -27.427 1.00 65.14 H new ATOM 0 HD3 PRO A 44 6.402 1.805 -28.000 1.00 65.14 H new ATOM 650 N LEU A 45 6.987 4.833 -24.723 1.00 50.24 N ATOM 651 CA LEU A 45 6.791 5.958 -23.815 1.00 51.04 C ATOM 652 C LEU A 45 6.288 5.480 -22.457 1.00 70.00 C ATOM 653 O LEU A 45 6.421 6.179 -21.453 1.00 2.54 O ATOM 654 CB LEU A 45 5.800 6.957 -24.416 1.00 5.11 C ATOM 655 CG LEU A 45 5.966 8.412 -23.977 1.00 13.52 C ATOM 656 CD1 LEU A 45 7.235 9.007 -24.567 1.00 12.31 C ATOM 657 CD2 LEU A 45 4.751 9.233 -24.383 1.00 54.44 C ATOM 0 H LEU A 45 6.360 4.826 -25.527 1.00 50.24 H new ATOM 0 HA LEU A 45 7.753 6.450 -23.673 1.00 51.04 H new ATOM 0 HB2 LEU A 45 5.885 6.914 -25.502 1.00 5.11 H new ATOM 0 HB3 LEU A 45 4.790 6.634 -24.162 1.00 5.11 H new ATOM 0 HG LEU A 45 6.050 8.436 -22.890 1.00 13.52 H new ATOM 0 HD11 LEU A 45 7.336 10.043 -24.243 1.00 12.31 H new ATOM 0 HD12 LEU A 45 8.098 8.435 -24.226 1.00 12.31 H new ATOM 0 HD13 LEU A 45 7.182 8.970 -25.655 1.00 12.31 H new ATOM 0 HD21 LEU A 45 4.886 10.266 -24.063 1.00 54.44 H new ATOM 0 HD22 LEU A 45 4.636 9.201 -25.466 1.00 54.44 H new ATOM 0 HD23 LEU A 45 3.859 8.821 -23.911 1.00 54.44 H new ATOM 669 N PHE A 46 5.711 4.283 -22.433 1.00 63.12 N ATOM 670 CA PHE A 46 5.189 3.710 -21.198 1.00 4.22 C ATOM 671 C PHE A 46 5.934 2.428 -20.836 1.00 12.44 C ATOM 672 O PHE A 46 5.470 1.640 -20.012 1.00 41.40 O ATOM 673 CB PHE A 46 3.693 3.423 -21.336 1.00 70.44 C ATOM 674 CG PHE A 46 2.900 3.769 -20.109 1.00 12.21 C ATOM 675 CD1 PHE A 46 2.943 5.048 -19.578 1.00 41.33 C ATOM 676 CD2 PHE A 46 2.111 2.816 -19.485 1.00 61.45 C ATOM 677 CE1 PHE A 46 2.214 5.371 -18.449 1.00 61.21 C ATOM 678 CE2 PHE A 46 1.380 3.132 -18.356 1.00 53.44 C ATOM 679 CZ PHE A 46 1.432 4.411 -17.837 1.00 1.11 C ATOM 0 H PHE A 46 5.593 3.691 -23.255 1.00 63.12 H new ATOM 0 HA PHE A 46 5.340 4.435 -20.398 1.00 4.22 H new ATOM 0 HB2 PHE A 46 3.300 3.985 -22.183 1.00 70.44 H new ATOM 0 HB3 PHE A 46 3.554 2.366 -21.563 1.00 70.44 H new ATOM 0 HD1 PHE A 46 3.554 5.802 -20.052 1.00 41.33 H new ATOM 0 HD2 PHE A 46 2.067 1.814 -19.886 1.00 61.45 H new ATOM 0 HE1 PHE A 46 2.256 6.372 -18.046 1.00 61.21 H new ATOM 0 HE2 PHE A 46 0.769 2.380 -17.880 1.00 53.44 H new ATOM 0 HZ PHE A 46 0.862 4.660 -16.954 1.00 1.11 H new ATOM 689 N ALA A 47 7.091 2.227 -21.458 1.00 13.21 N ATOM 690 CA ALA A 47 7.900 1.043 -21.201 1.00 25.22 C ATOM 691 C ALA A 47 9.006 1.342 -20.194 1.00 62.41 C ATOM 692 O ALA A 47 9.712 0.438 -19.748 1.00 60.41 O ATOM 693 CB ALA A 47 8.494 0.517 -22.499 1.00 43.45 C ATOM 0 H ALA A 47 7.489 2.869 -22.143 1.00 13.21 H new ATOM 0 HA ALA A 47 7.253 0.277 -20.774 1.00 25.22 H new ATOM 0 HB1 ALA A 47 9.096 -0.368 -22.291 1.00 43.45 H new ATOM 0 HB2 ALA A 47 7.690 0.256 -23.187 1.00 43.45 H new ATOM 0 HB3 ALA A 47 9.122 1.286 -22.950 1.00 43.45 H new ATOM 699 N GLN A 48 9.151 2.615 -19.842 1.00 31.14 N ATOM 700 CA GLN A 48 10.172 3.032 -18.888 1.00 64.23 C ATOM 701 C GLN A 48 10.081 2.218 -17.602 1.00 13.24 C ATOM 702 O GLN A 48 9.016 1.733 -17.220 1.00 35.22 O ATOM 703 CB GLN A 48 10.029 4.522 -18.575 1.00 4.14 C ATOM 704 CG GLN A 48 10.401 5.427 -19.738 1.00 51.12 C ATOM 705 CD GLN A 48 11.780 5.128 -20.293 1.00 12.32 C ATOM 706 OE1 GLN A 48 12.683 4.728 -19.559 1.00 25.44 O ATOM 707 NE2 GLN A 48 11.949 5.322 -21.596 1.00 31.04 N ATOM 0 H GLN A 48 8.575 3.375 -20.203 1.00 31.14 H new ATOM 0 HA GLN A 48 11.149 2.855 -19.339 1.00 64.23 H new ATOM 0 HB2 GLN A 48 8.999 4.726 -18.282 1.00 4.14 H new ATOM 0 HB3 GLN A 48 10.658 4.767 -17.719 1.00 4.14 H new ATOM 0 HG2 GLN A 48 9.662 5.315 -20.531 1.00 51.12 H new ATOM 0 HG3 GLN A 48 10.363 6.466 -19.411 1.00 51.12 H new ATOM 0 HE21 GLN A 48 11.172 5.655 -22.167 1.00 31.04 H new ATOM 0 HE22 GLN A 48 12.856 5.138 -22.026 1.00 31.04 H new ATOM 716 N PRO A 49 11.223 2.064 -16.916 1.00 30.13 N ATOM 717 CA PRO A 49 11.297 1.309 -15.661 1.00 43.22 C ATOM 718 C PRO A 49 10.590 2.021 -14.513 1.00 52.45 C ATOM 719 O PRO A 49 10.220 1.399 -13.519 1.00 14.05 O ATOM 720 CB PRO A 49 12.801 1.220 -15.389 1.00 41.24 C ATOM 721 CG PRO A 49 13.384 2.397 -16.093 1.00 74.13 C ATOM 722 CD PRO A 49 12.530 2.615 -17.312 1.00 31.21 C ATOM 0 HA PRO A 49 10.805 0.339 -15.740 1.00 43.22 H new ATOM 0 HB2 PRO A 49 13.013 1.253 -14.320 1.00 41.24 H new ATOM 0 HB3 PRO A 49 13.217 0.286 -15.767 1.00 41.24 H new ATOM 0 HG2 PRO A 49 13.379 3.278 -15.451 1.00 74.13 H new ATOM 0 HG3 PRO A 49 14.421 2.211 -16.371 1.00 74.13 H new ATOM 0 HD2 PRO A 49 12.459 3.672 -17.569 1.00 31.21 H new ATOM 0 HD3 PRO A 49 12.935 2.101 -18.184 1.00 31.21 H new ATOM 730 N ALA A 50 10.405 3.329 -14.659 1.00 52.41 N ATOM 731 CA ALA A 50 9.739 4.125 -13.635 1.00 42.44 C ATOM 732 C ALA A 50 8.231 4.157 -13.859 1.00 21.13 C ATOM 733 O ALA A 50 7.482 4.663 -13.024 1.00 11.02 O ATOM 734 CB ALA A 50 10.302 5.539 -13.617 1.00 53.04 C ATOM 0 H ALA A 50 10.707 3.860 -15.476 1.00 52.41 H new ATOM 0 HA ALA A 50 9.926 3.658 -12.668 1.00 42.44 H new ATOM 0 HB1 ALA A 50 9.796 6.122 -12.848 1.00 53.04 H new ATOM 0 HB2 ALA A 50 11.370 5.503 -13.401 1.00 53.04 H new ATOM 0 HB3 ALA A 50 10.144 6.006 -14.589 1.00 53.04 H new ATOM 740 N GLN A 51 7.794 3.614 -14.990 1.00 74.31 N ATOM 741 CA GLN A 51 6.374 3.582 -15.323 1.00 23.42 C ATOM 742 C GLN A 51 5.631 2.582 -14.442 1.00 43.51 C ATOM 743 O GLN A 51 4.403 2.600 -14.368 1.00 35.51 O ATOM 744 CB GLN A 51 6.182 3.221 -16.797 1.00 4.40 C ATOM 745 CG GLN A 51 4.726 3.038 -17.194 1.00 45.30 C ATOM 746 CD GLN A 51 4.236 1.621 -16.974 1.00 75.04 C ATOM 747 OE1 GLN A 51 3.204 1.400 -16.339 1.00 51.43 O ATOM 748 NE2 GLN A 51 4.974 0.650 -17.500 1.00 54.31 N ATOM 0 H GLN A 51 8.402 3.190 -15.691 1.00 74.31 H new ATOM 0 HA GLN A 51 5.962 4.575 -15.143 1.00 23.42 H new ATOM 0 HB2 GLN A 51 6.623 4.004 -17.415 1.00 4.40 H new ATOM 0 HB3 GLN A 51 6.727 2.301 -17.011 1.00 4.40 H new ATOM 0 HG2 GLN A 51 4.107 3.726 -16.618 1.00 45.30 H new ATOM 0 HG3 GLN A 51 4.604 3.302 -18.244 1.00 45.30 H new ATOM 0 HE21 GLN A 51 5.822 0.878 -18.019 1.00 54.31 H new ATOM 0 HE22 GLN A 51 4.693 -0.324 -17.385 1.00 54.31 H new ATOM 757 N ARG A 52 6.385 1.713 -13.777 1.00 34.12 N ATOM 758 CA ARG A 52 5.797 0.705 -12.902 1.00 50.24 C ATOM 759 C ARG A 52 5.485 1.292 -11.529 1.00 2.21 C ATOM 760 O ARG A 52 4.440 1.007 -10.943 1.00 64.14 O ATOM 761 CB ARG A 52 6.743 -0.488 -12.756 1.00 21.00 C ATOM 762 CG ARG A 52 6.316 -1.476 -11.683 1.00 1.25 C ATOM 763 CD ARG A 52 7.289 -1.484 -10.514 1.00 43.11 C ATOM 764 NE ARG A 52 8.639 -1.857 -10.929 1.00 20.24 N ATOM 765 CZ ARG A 52 9.003 -3.103 -11.210 1.00 21.42 C ATOM 766 NH1 ARG A 52 8.123 -4.091 -11.122 1.00 55.31 N ATOM 767 NH2 ARG A 52 10.250 -3.364 -11.580 1.00 43.14 N ATOM 0 H ARG A 52 7.403 1.686 -13.827 1.00 34.12 H new ATOM 0 HA ARG A 52 4.864 0.367 -13.354 1.00 50.24 H new ATOM 0 HB2 ARG A 52 6.808 -1.008 -13.712 1.00 21.00 H new ATOM 0 HB3 ARG A 52 7.743 -0.122 -12.523 1.00 21.00 H new ATOM 0 HG2 ARG A 52 5.319 -1.219 -11.326 1.00 1.25 H new ATOM 0 HG3 ARG A 52 6.253 -2.476 -12.112 1.00 1.25 H new ATOM 0 HD2 ARG A 52 7.311 -0.496 -10.054 1.00 43.11 H new ATOM 0 HD3 ARG A 52 6.937 -2.182 -9.754 1.00 43.11 H new ATOM 0 HE ARG A 52 9.340 -1.120 -11.007 1.00 20.24 H new ATOM 0 HH11 ARG A 52 7.163 -3.895 -10.838 1.00 55.31 H new ATOM 0 HH12 ARG A 52 8.406 -5.047 -11.339 1.00 55.31 H new ATOM 0 HH21 ARG A 52 10.930 -2.607 -11.649 1.00 43.14 H new ATOM 0 HH22 ARG A 52 10.528 -4.321 -11.796 1.00 43.14 H new ATOM 781 N ASP A 53 6.398 2.113 -11.021 1.00 21.30 N ATOM 782 CA ASP A 53 6.221 2.741 -9.717 1.00 32.53 C ATOM 783 C ASP A 53 5.609 4.130 -9.861 1.00 53.34 C ATOM 784 O ASP A 53 5.560 4.902 -8.902 1.00 73.23 O ATOM 785 CB ASP A 53 7.561 2.833 -8.985 1.00 52.42 C ATOM 786 CG ASP A 53 7.726 1.748 -7.940 1.00 63.31 C ATOM 787 OD1 ASP A 53 7.110 1.865 -6.860 1.00 22.41 O ATOM 788 OD2 ASP A 53 8.471 0.781 -8.203 1.00 23.24 O ATOM 0 H ASP A 53 7.268 2.359 -11.493 1.00 21.30 H new ATOM 0 HA ASP A 53 5.539 2.123 -9.133 1.00 32.53 H new ATOM 0 HB2 ASP A 53 8.373 2.762 -9.709 1.00 52.42 H new ATOM 0 HB3 ASP A 53 7.644 3.809 -8.507 1.00 52.42 H new ATOM 793 N LEU A 54 5.144 4.444 -11.066 1.00 21.03 N ATOM 794 CA LEU A 54 4.536 5.742 -11.337 1.00 33.11 C ATOM 795 C LEU A 54 3.073 5.584 -11.740 1.00 0.14 C ATOM 796 O LEU A 54 2.766 5.045 -12.803 1.00 23.52 O ATOM 797 CB LEU A 54 5.305 6.467 -12.442 1.00 45.02 C ATOM 798 CG LEU A 54 4.619 7.693 -13.045 1.00 10.33 C ATOM 799 CD1 LEU A 54 4.240 8.683 -11.954 1.00 31.33 C ATOM 800 CD2 LEU A 54 5.519 8.355 -14.078 1.00 24.22 C ATOM 0 H LEU A 54 5.177 3.818 -11.870 1.00 21.03 H new ATOM 0 HA LEU A 54 4.581 6.334 -10.423 1.00 33.11 H new ATOM 0 HB2 LEU A 54 6.271 6.776 -12.042 1.00 45.02 H new ATOM 0 HB3 LEU A 54 5.505 5.756 -13.244 1.00 45.02 H new ATOM 0 HG LEU A 54 3.707 7.366 -13.544 1.00 10.33 H new ATOM 0 HD11 LEU A 54 3.753 9.549 -12.402 1.00 31.33 H new ATOM 0 HD12 LEU A 54 3.557 8.206 -11.251 1.00 31.33 H new ATOM 0 HD13 LEU A 54 5.138 9.004 -11.426 1.00 31.33 H new ATOM 0 HD21 LEU A 54 5.014 9.226 -14.496 1.00 24.22 H new ATOM 0 HD22 LEU A 54 6.449 8.668 -13.603 1.00 24.22 H new ATOM 0 HD23 LEU A 54 5.740 7.646 -14.876 1.00 24.22 H new ATOM 812 N ARG A 55 2.174 6.060 -10.884 1.00 45.40 N ATOM 813 CA ARG A 55 0.744 5.973 -11.151 1.00 51.22 C ATOM 814 C ARG A 55 0.374 6.771 -12.398 1.00 50.11 C ATOM 815 O ARG A 55 1.055 7.732 -12.758 1.00 35.13 O ATOM 816 CB ARG A 55 -0.053 6.485 -9.950 1.00 10.21 C ATOM 817 CG ARG A 55 -0.029 5.544 -8.757 1.00 30.30 C ATOM 818 CD ARG A 55 1.021 5.961 -7.739 1.00 60.31 C ATOM 819 NE ARG A 55 1.104 5.023 -6.623 1.00 23.40 N ATOM 820 CZ ARG A 55 1.702 3.839 -6.701 1.00 22.11 C ATOM 821 NH1 ARG A 55 2.266 3.451 -7.836 1.00 45.02 N ATOM 822 NH2 ARG A 55 1.737 3.041 -5.641 1.00 72.35 N ATOM 0 H ARG A 55 2.411 6.510 -10.000 1.00 45.40 H new ATOM 0 HA ARG A 55 0.495 4.926 -11.324 1.00 51.22 H new ATOM 0 HB2 ARG A 55 0.345 7.453 -9.646 1.00 10.21 H new ATOM 0 HB3 ARG A 55 -1.087 6.647 -10.253 1.00 10.21 H new ATOM 0 HG2 ARG A 55 -1.011 5.530 -8.284 1.00 30.30 H new ATOM 0 HG3 ARG A 55 0.175 4.529 -9.097 1.00 30.30 H new ATOM 0 HD2 ARG A 55 1.993 6.030 -8.228 1.00 60.31 H new ATOM 0 HD3 ARG A 55 0.784 6.955 -7.360 1.00 60.31 H new ATOM 0 HE ARG A 55 0.680 5.291 -5.735 1.00 23.40 H new ATOM 0 HH11 ARG A 55 2.242 4.062 -8.652 1.00 45.02 H new ATOM 0 HH12 ARG A 55 2.724 2.542 -7.893 1.00 45.02 H new ATOM 0 HH21 ARG A 55 1.305 3.336 -4.766 1.00 72.35 H new ATOM 0 HH22 ARG A 55 2.196 2.132 -5.702 1.00 72.35 H new ATOM 836 N VAL A 56 -0.709 6.366 -13.054 1.00 62.12 N ATOM 837 CA VAL A 56 -1.170 7.043 -14.260 1.00 62.24 C ATOM 838 C VAL A 56 -2.690 7.004 -14.366 1.00 32.45 C ATOM 839 O VAL A 56 -3.289 5.932 -14.462 1.00 52.31 O ATOM 840 CB VAL A 56 -0.562 6.410 -15.526 1.00 71.13 C ATOM 841 CG1 VAL A 56 -1.528 6.523 -16.696 1.00 44.12 C ATOM 842 CG2 VAL A 56 0.771 7.062 -15.860 1.00 23.32 C ATOM 0 H VAL A 56 -1.283 5.572 -12.770 1.00 62.12 H new ATOM 0 HA VAL A 56 -0.841 8.079 -14.186 1.00 62.24 H new ATOM 0 HB VAL A 56 -0.385 5.352 -15.333 1.00 71.13 H new ATOM 0 HG11 VAL A 56 -1.082 6.071 -17.581 1.00 44.12 H new ATOM 0 HG12 VAL A 56 -2.456 6.006 -16.453 1.00 44.12 H new ATOM 0 HG13 VAL A 56 -1.739 7.574 -16.893 1.00 44.12 H new ATOM 0 HG21 VAL A 56 1.186 6.603 -16.757 1.00 23.32 H new ATOM 0 HG22 VAL A 56 0.621 8.128 -16.034 1.00 23.32 H new ATOM 0 HG23 VAL A 56 1.462 6.924 -15.029 1.00 23.32 H new ATOM 852 N PHE A 57 -3.310 8.179 -14.347 1.00 4.24 N ATOM 853 CA PHE A 57 -4.761 8.280 -14.439 1.00 74.04 C ATOM 854 C PHE A 57 -5.184 8.789 -15.814 1.00 75.13 C ATOM 855 O PHE A 57 -4.705 9.822 -16.281 1.00 53.44 O ATOM 856 CB PHE A 57 -5.300 9.211 -13.351 1.00 21.42 C ATOM 857 CG PHE A 57 -4.869 8.824 -11.965 1.00 11.12 C ATOM 858 CD1 PHE A 57 -4.639 7.497 -11.641 1.00 74.43 C ATOM 859 CD2 PHE A 57 -4.694 9.788 -10.985 1.00 54.42 C ATOM 860 CE1 PHE A 57 -4.243 7.138 -10.367 1.00 24.51 C ATOM 861 CE2 PHE A 57 -4.297 9.435 -9.709 1.00 53.44 C ATOM 862 CZ PHE A 57 -4.072 8.108 -9.399 1.00 53.34 C ATOM 0 H PHE A 57 -2.829 9.075 -14.269 1.00 4.24 H new ATOM 0 HA PHE A 57 -5.179 7.284 -14.294 1.00 74.04 H new ATOM 0 HB2 PHE A 57 -4.966 10.228 -13.556 1.00 21.42 H new ATOM 0 HB3 PHE A 57 -6.389 9.217 -13.396 1.00 21.42 H new ATOM 0 HD1 PHE A 57 -4.771 6.734 -12.394 1.00 74.43 H new ATOM 0 HD2 PHE A 57 -4.870 10.827 -11.221 1.00 54.42 H new ATOM 0 HE1 PHE A 57 -4.067 6.099 -10.128 1.00 24.51 H new ATOM 0 HE2 PHE A 57 -4.163 10.196 -8.955 1.00 53.44 H new ATOM 0 HZ PHE A 57 -3.763 7.830 -8.402 1.00 53.34 H new ATOM 872 N LYS A 58 -6.086 8.055 -16.459 1.00 5.04 N ATOM 873 CA LYS A 58 -6.575 8.430 -17.780 1.00 14.13 C ATOM 874 C LYS A 58 -7.927 9.130 -17.680 1.00 70.14 C ATOM 875 O LYS A 58 -8.946 8.498 -17.400 1.00 64.32 O ATOM 876 CB LYS A 58 -6.694 7.193 -18.672 1.00 71.24 C ATOM 877 CG LYS A 58 -7.450 6.046 -18.025 1.00 32.33 C ATOM 878 CD LYS A 58 -6.508 4.944 -17.568 1.00 52.31 C ATOM 879 CE LYS A 58 -6.541 3.755 -18.515 1.00 60.33 C ATOM 880 NZ LYS A 58 -5.740 4.003 -19.746 1.00 55.51 N ATOM 0 H LYS A 58 -6.493 7.197 -16.087 1.00 5.04 H new ATOM 0 HA LYS A 58 -5.859 9.122 -18.223 1.00 14.13 H new ATOM 0 HB2 LYS A 58 -7.196 7.471 -19.599 1.00 71.24 H new ATOM 0 HB3 LYS A 58 -5.694 6.852 -18.941 1.00 71.24 H new ATOM 0 HG2 LYS A 58 -8.017 6.418 -17.172 1.00 32.33 H new ATOM 0 HG3 LYS A 58 -8.171 5.639 -18.734 1.00 32.33 H new ATOM 0 HD2 LYS A 58 -5.492 5.334 -17.507 1.00 52.31 H new ATOM 0 HD3 LYS A 58 -6.785 4.620 -16.565 1.00 52.31 H new ATOM 0 HE2 LYS A 58 -6.157 2.873 -18.003 1.00 60.33 H new ATOM 0 HE3 LYS A 58 -7.573 3.539 -18.791 1.00 60.33 H new ATOM 0 HZ1 LYS A 58 -5.788 3.169 -20.365 1.00 55.51 H new ATOM 0 HZ2 LYS A 58 -6.122 4.830 -20.248 1.00 55.51 H new ATOM 0 HZ3 LYS A 58 -4.750 4.184 -19.485 1.00 55.51 H new ATOM 894 N VAL A 59 -7.929 10.439 -17.913 1.00 74.42 N ATOM 895 CA VAL A 59 -9.156 11.224 -17.852 1.00 75.35 C ATOM 896 C VAL A 59 -9.683 11.530 -19.250 1.00 63.01 C ATOM 897 O VAL A 59 -8.910 11.786 -20.173 1.00 13.33 O ATOM 898 CB VAL A 59 -8.939 12.548 -17.096 1.00 62.23 C ATOM 899 CG1 VAL A 59 -7.723 13.281 -17.642 1.00 61.11 C ATOM 900 CG2 VAL A 59 -10.181 13.421 -17.183 1.00 74.10 C ATOM 0 H VAL A 59 -7.095 10.978 -18.146 1.00 74.42 H new ATOM 0 HA VAL A 59 -9.889 10.623 -17.314 1.00 75.35 H new ATOM 0 HB VAL A 59 -8.756 12.321 -16.046 1.00 62.23 H new ATOM 0 HG11 VAL A 59 -7.585 14.214 -17.096 1.00 61.11 H new ATOM 0 HG12 VAL A 59 -6.838 12.656 -17.523 1.00 61.11 H new ATOM 0 HG13 VAL A 59 -7.874 13.498 -18.699 1.00 61.11 H new ATOM 0 HG21 VAL A 59 -10.010 14.352 -16.643 1.00 74.10 H new ATOM 0 HG22 VAL A 59 -10.398 13.642 -18.228 1.00 74.10 H new ATOM 0 HG23 VAL A 59 -11.027 12.895 -16.740 1.00 74.10 H new ATOM 910 N ASN A 60 -11.003 11.502 -19.399 1.00 32.24 N ATOM 911 CA ASN A 60 -11.634 11.776 -20.685 1.00 3.53 C ATOM 912 C ASN A 60 -12.328 13.135 -20.671 1.00 43.11 C ATOM 913 O ASN A 60 -12.737 13.625 -19.618 1.00 72.42 O ATOM 914 CB ASN A 60 -12.644 10.679 -21.026 1.00 25.11 C ATOM 915 CG ASN A 60 -12.906 10.578 -22.516 1.00 71.21 C ATOM 916 OD1 ASN A 60 -12.448 11.412 -23.296 1.00 43.34 O ATOM 917 ND2 ASN A 60 -13.648 9.552 -22.918 1.00 2.13 N ATOM 0 H ASN A 60 -11.657 11.292 -18.645 1.00 32.24 H new ATOM 0 HA ASN A 60 -10.855 11.793 -21.447 1.00 3.53 H new ATOM 0 HB2 ASN A 60 -12.274 9.722 -20.659 1.00 25.11 H new ATOM 0 HB3 ASN A 60 -13.582 10.878 -20.508 1.00 25.11 H new ATOM 0 HD21 ASN A 60 -13.858 9.432 -23.909 1.00 2.13 H new ATOM 0 HD22 ASN A 60 -14.007 8.884 -22.236 1.00 2.13 H new ATOM 924 N PHE A 61 -12.457 13.739 -21.848 1.00 1.13 N ATOM 925 CA PHE A 61 -13.101 15.042 -21.972 1.00 20.42 C ATOM 926 C PHE A 61 -14.582 14.952 -21.614 1.00 4.42 C ATOM 927 O PHE A 61 -15.258 15.970 -21.466 1.00 40.54 O ATOM 928 CB PHE A 61 -12.940 15.580 -23.395 1.00 54.00 C ATOM 929 CG PHE A 61 -13.901 14.974 -24.377 1.00 75.23 C ATOM 930 CD1 PHE A 61 -13.638 13.742 -24.954 1.00 35.33 C ATOM 931 CD2 PHE A 61 -15.068 15.637 -24.725 1.00 23.44 C ATOM 932 CE1 PHE A 61 -14.521 13.181 -25.858 1.00 21.23 C ATOM 933 CE2 PHE A 61 -15.954 15.081 -25.628 1.00 20.54 C ATOM 934 CZ PHE A 61 -15.680 13.852 -26.196 1.00 23.22 C ATOM 0 H PHE A 61 -12.124 13.347 -22.729 1.00 1.13 H new ATOM 0 HA PHE A 61 -12.618 15.727 -21.275 1.00 20.42 H new ATOM 0 HB2 PHE A 61 -13.078 16.661 -23.384 1.00 54.00 H new ATOM 0 HB3 PHE A 61 -11.921 15.392 -23.733 1.00 54.00 H new ATOM 0 HD1 PHE A 61 -12.733 13.214 -24.695 1.00 35.33 H new ATOM 0 HD2 PHE A 61 -15.287 16.599 -24.285 1.00 23.44 H new ATOM 0 HE1 PHE A 61 -14.305 12.219 -26.299 1.00 21.23 H new ATOM 0 HE2 PHE A 61 -16.860 15.607 -25.890 1.00 20.54 H new ATOM 0 HZ PHE A 61 -16.371 13.417 -26.903 1.00 23.22 H new ATOM 944 N ASP A 62 -15.078 13.728 -21.476 1.00 61.00 N ATOM 945 CA ASP A 62 -16.478 13.504 -21.135 1.00 10.42 C ATOM 946 C ASP A 62 -16.685 13.563 -19.625 1.00 14.23 C ATOM 947 O ASP A 62 -17.816 13.658 -19.145 1.00 23.30 O ATOM 948 CB ASP A 62 -16.947 12.152 -21.674 1.00 42.12 C ATOM 949 CG ASP A 62 -16.717 12.013 -23.166 1.00 61.32 C ATOM 950 OD1 ASP A 62 -15.629 11.540 -23.558 1.00 31.24 O ATOM 951 OD2 ASP A 62 -17.625 12.376 -23.943 1.00 21.45 O ATOM 0 H ASP A 62 -14.531 12.875 -21.595 1.00 61.00 H new ATOM 0 HA ASP A 62 -17.070 14.295 -21.596 1.00 10.42 H new ATOM 0 HB2 ASP A 62 -16.420 11.353 -21.152 1.00 42.12 H new ATOM 0 HB3 ASP A 62 -18.008 12.027 -21.460 1.00 42.12 H new ATOM 956 N THR A 63 -15.586 13.506 -18.879 1.00 34.43 N ATOM 957 CA THR A 63 -15.647 13.550 -17.423 1.00 74.12 C ATOM 958 C THR A 63 -15.037 14.839 -16.886 1.00 51.54 C ATOM 959 O THR A 63 -15.467 15.358 -15.857 1.00 32.15 O ATOM 960 CB THR A 63 -14.917 12.349 -16.793 1.00 72.35 C ATOM 961 OG1 THR A 63 -15.319 11.137 -17.441 1.00 72.43 O ATOM 962 CG2 THR A 63 -15.213 12.256 -15.304 1.00 61.22 C ATOM 0 H THR A 63 -14.643 13.429 -19.259 1.00 34.43 H new ATOM 0 HA THR A 63 -16.701 13.509 -17.150 1.00 74.12 H new ATOM 0 HB THR A 63 -13.845 12.493 -16.926 1.00 72.35 H new ATOM 0 HG1 THR A 63 -15.724 10.534 -16.784 1.00 72.43 H new ATOM 0 HG21 THR A 63 -14.687 11.400 -14.881 1.00 61.22 H new ATOM 0 HG22 THR A 63 -14.879 13.168 -14.809 1.00 61.22 H new ATOM 0 HG23 THR A 63 -16.285 12.133 -15.153 1.00 61.22 H new ATOM 970 N GLN A 64 -14.034 15.352 -17.591 1.00 44.02 N ATOM 971 CA GLN A 64 -13.365 16.582 -17.184 1.00 64.00 C ATOM 972 C GLN A 64 -13.996 17.795 -17.860 1.00 61.52 C ATOM 973 O GLN A 64 -13.375 18.853 -17.967 1.00 35.43 O ATOM 974 CB GLN A 64 -11.874 16.513 -17.522 1.00 74.11 C ATOM 975 CG GLN A 64 -11.592 16.429 -19.013 1.00 71.25 C ATOM 976 CD GLN A 64 -10.437 17.313 -19.440 1.00 23.14 C ATOM 977 OE1 GLN A 64 -10.638 18.425 -19.929 1.00 74.42 O ATOM 978 NE2 GLN A 64 -9.217 16.823 -19.255 1.00 65.30 N ATOM 0 H GLN A 64 -13.667 14.935 -18.446 1.00 44.02 H new ATOM 0 HA GLN A 64 -13.481 16.689 -16.106 1.00 64.00 H new ATOM 0 HB2 GLN A 64 -11.377 17.394 -17.116 1.00 74.11 H new ATOM 0 HB3 GLN A 64 -11.438 15.644 -17.029 1.00 74.11 H new ATOM 0 HG2 GLN A 64 -11.371 15.395 -19.279 1.00 71.25 H new ATOM 0 HG3 GLN A 64 -12.487 16.716 -19.565 1.00 71.25 H new ATOM 0 HE21 GLN A 64 -9.096 15.896 -18.846 1.00 65.30 H new ATOM 0 HE22 GLN A 64 -8.401 17.373 -19.522 1.00 65.30 H new ATOM 987 N LYS A 65 -15.233 17.634 -18.316 1.00 74.35 N ATOM 988 CA LYS A 65 -15.950 18.715 -18.982 1.00 75.20 C ATOM 989 C LYS A 65 -15.846 20.010 -18.183 1.00 63.01 C ATOM 990 O LYS A 65 -15.608 21.079 -18.745 1.00 31.04 O ATOM 991 CB LYS A 65 -17.421 18.338 -19.172 1.00 35.22 C ATOM 992 CG LYS A 65 -18.168 19.260 -20.120 1.00 33.11 C ATOM 993 CD LYS A 65 -18.872 18.480 -21.218 1.00 24.11 C ATOM 994 CE LYS A 65 -19.954 19.312 -21.887 1.00 53.43 C ATOM 995 NZ LYS A 65 -21.303 18.704 -21.722 1.00 15.22 N ATOM 0 H LYS A 65 -15.761 16.765 -18.237 1.00 74.35 H new ATOM 0 HA LYS A 65 -15.492 18.873 -19.959 1.00 75.20 H new ATOM 0 HB2 LYS A 65 -17.480 17.317 -19.550 1.00 35.22 H new ATOM 0 HB3 LYS A 65 -17.918 18.348 -18.202 1.00 35.22 H new ATOM 0 HG2 LYS A 65 -18.899 19.843 -19.561 1.00 33.11 H new ATOM 0 HG3 LYS A 65 -17.470 19.968 -20.566 1.00 33.11 H new ATOM 0 HD2 LYS A 65 -18.144 18.161 -21.964 1.00 24.11 H new ATOM 0 HD3 LYS A 65 -19.314 17.577 -20.798 1.00 24.11 H new ATOM 0 HE2 LYS A 65 -19.954 20.316 -21.463 1.00 53.43 H new ATOM 0 HE3 LYS A 65 -19.729 19.414 -22.949 1.00 53.43 H new ATOM 0 HZ1 LYS A 65 -22.013 19.301 -22.192 1.00 15.22 H new ATOM 0 HZ2 LYS A 65 -21.311 17.756 -22.149 1.00 15.22 H new ATOM 0 HZ3 LYS A 65 -21.529 18.630 -20.710 1.00 15.22 H new ATOM 1009 N ALA A 66 -16.023 19.906 -16.870 1.00 50.01 N ATOM 1010 CA ALA A 66 -15.945 21.069 -15.994 1.00 63.53 C ATOM 1011 C ALA A 66 -14.556 21.696 -16.038 1.00 4.03 C ATOM 1012 O ALA A 66 -14.394 22.887 -15.774 1.00 2.11 O ATOM 1013 CB ALA A 66 -16.306 20.680 -14.568 1.00 53.23 C ATOM 0 H ALA A 66 -16.221 19.028 -16.389 1.00 50.01 H new ATOM 0 HA ALA A 66 -16.661 21.810 -16.349 1.00 63.53 H new ATOM 0 HB1 ALA A 66 -16.244 21.558 -13.925 1.00 53.23 H new ATOM 0 HB2 ALA A 66 -17.321 20.284 -14.545 1.00 53.23 H new ATOM 0 HB3 ALA A 66 -15.612 19.919 -14.212 1.00 53.23 H new ATOM 1019 N ALA A 67 -13.556 20.887 -16.372 1.00 21.55 N ATOM 1020 CA ALA A 67 -12.181 21.363 -16.451 1.00 3.34 C ATOM 1021 C ALA A 67 -11.907 22.030 -17.794 1.00 52.24 C ATOM 1022 O ALA A 67 -11.372 23.138 -17.852 1.00 12.22 O ATOM 1023 CB ALA A 67 -11.210 20.214 -16.222 1.00 42.31 C ATOM 0 H ALA A 67 -13.673 19.898 -16.592 1.00 21.55 H new ATOM 0 HA ALA A 67 -12.036 22.108 -15.669 1.00 3.34 H new ATOM 0 HB1 ALA A 67 -10.187 20.585 -16.284 1.00 42.31 H new ATOM 0 HB2 ALA A 67 -11.381 19.784 -15.235 1.00 42.31 H new ATOM 0 HB3 ALA A 67 -11.366 19.449 -16.983 1.00 42.31 H new ATOM 1029 N LEU A 68 -12.277 21.349 -18.873 1.00 44.14 N ATOM 1030 CA LEU A 68 -12.070 21.876 -20.218 1.00 74.42 C ATOM 1031 C LEU A 68 -13.013 23.042 -20.497 1.00 32.21 C ATOM 1032 O LEU A 68 -12.727 23.897 -21.334 1.00 64.24 O ATOM 1033 CB LEU A 68 -12.283 20.773 -21.257 1.00 55.21 C ATOM 1034 CG LEU A 68 -13.517 19.892 -21.058 1.00 15.53 C ATOM 1035 CD1 LEU A 68 -14.719 20.486 -21.777 1.00 63.23 C ATOM 1036 CD2 LEU A 68 -13.247 18.477 -21.546 1.00 22.23 C ATOM 0 H LEU A 68 -12.722 20.431 -18.843 1.00 44.14 H new ATOM 0 HA LEU A 68 -11.044 22.238 -20.286 1.00 74.42 H new ATOM 0 HB2 LEU A 68 -12.347 21.237 -22.241 1.00 55.21 H new ATOM 0 HB3 LEU A 68 -11.401 20.132 -21.263 1.00 55.21 H new ATOM 0 HG LEU A 68 -13.741 19.850 -19.992 1.00 15.53 H new ATOM 0 HD11 LEU A 68 -15.588 19.845 -21.624 1.00 63.23 H new ATOM 0 HD12 LEU A 68 -14.926 21.480 -21.379 1.00 63.23 H new ATOM 0 HD13 LEU A 68 -14.505 20.559 -22.843 1.00 63.23 H new ATOM 0 HD21 LEU A 68 -14.136 17.865 -21.396 1.00 22.23 H new ATOM 0 HD22 LEU A 68 -12.996 18.500 -22.607 1.00 22.23 H new ATOM 0 HD23 LEU A 68 -12.415 18.051 -20.985 1.00 22.23 H new ATOM 1048 N GLN A 69 -14.137 23.070 -19.788 1.00 0.03 N ATOM 1049 CA GLN A 69 -15.121 24.133 -19.958 1.00 62.43 C ATOM 1050 C GLN A 69 -14.765 25.346 -19.105 1.00 73.32 C ATOM 1051 O GLN A 69 -15.126 26.475 -19.435 1.00 75.13 O ATOM 1052 CB GLN A 69 -16.517 23.627 -19.591 1.00 11.41 C ATOM 1053 CG GLN A 69 -17.617 24.648 -19.835 1.00 10.04 C ATOM 1054 CD GLN A 69 -17.886 24.875 -21.309 1.00 52.11 C ATOM 1055 OE1 GLN A 69 -17.906 23.932 -22.101 1.00 2.22 O ATOM 1056 NE2 GLN A 69 -18.096 26.131 -21.686 1.00 63.14 N ATOM 0 H GLN A 69 -14.389 22.369 -19.091 1.00 0.03 H new ATOM 0 HA GLN A 69 -15.116 24.435 -21.005 1.00 62.43 H new ATOM 0 HB2 GLN A 69 -16.732 22.728 -20.169 1.00 11.41 H new ATOM 0 HB3 GLN A 69 -16.526 23.340 -18.540 1.00 11.41 H new ATOM 0 HG2 GLN A 69 -18.533 24.312 -19.350 1.00 10.04 H new ATOM 0 HG3 GLN A 69 -17.339 25.594 -19.370 1.00 10.04 H new ATOM 0 HE21 GLN A 69 -18.070 26.882 -20.996 1.00 63.14 H new ATOM 0 HE22 GLN A 69 -18.283 26.345 -22.666 1.00 63.14 H new ATOM 1065 N GLN A 70 -14.056 25.104 -18.007 1.00 72.34 N ATOM 1066 CA GLN A 70 -13.653 26.177 -17.107 1.00 12.23 C ATOM 1067 C GLN A 70 -12.293 26.741 -17.506 1.00 33.25 C ATOM 1068 O GLN A 70 -12.046 27.940 -17.380 1.00 41.31 O ATOM 1069 CB GLN A 70 -13.605 25.670 -15.664 1.00 53.33 C ATOM 1070 CG GLN A 70 -13.192 26.733 -14.659 1.00 54.42 C ATOM 1071 CD GLN A 70 -13.995 26.665 -13.375 1.00 0.41 C ATOM 1072 OE1 GLN A 70 -14.553 25.622 -13.032 1.00 44.42 O ATOM 1073 NE2 GLN A 70 -14.058 27.780 -12.656 1.00 4.01 N ATOM 0 H GLN A 70 -13.749 24.175 -17.720 1.00 72.34 H new ATOM 0 HA GLN A 70 -14.392 26.975 -17.180 1.00 12.23 H new ATOM 0 HB2 GLN A 70 -14.587 25.285 -15.390 1.00 53.33 H new ATOM 0 HB3 GLN A 70 -12.907 24.835 -15.604 1.00 53.33 H new ATOM 0 HG2 GLN A 70 -12.133 26.617 -14.428 1.00 54.42 H new ATOM 0 HG3 GLN A 70 -13.314 27.719 -15.108 1.00 54.42 H new ATOM 0 HE21 GLN A 70 -13.580 28.622 -12.978 1.00 4.01 H new ATOM 0 HE22 GLN A 70 -14.584 27.794 -11.782 1.00 4.01 H new ATOM 1082 N PHE A 71 -11.414 25.868 -17.986 1.00 74.42 N ATOM 1083 CA PHE A 71 -10.078 26.278 -18.402 1.00 54.03 C ATOM 1084 C PHE A 71 -9.999 26.413 -19.920 1.00 62.51 C ATOM 1085 O PHE A 71 -8.967 26.804 -20.466 1.00 70.31 O ATOM 1086 CB PHE A 71 -9.037 25.270 -17.913 1.00 64.20 C ATOM 1087 CG PHE A 71 -7.732 25.900 -17.516 1.00 53.33 C ATOM 1088 CD1 PHE A 71 -6.642 25.863 -18.370 1.00 43.31 C ATOM 1089 CD2 PHE A 71 -7.597 26.530 -16.289 1.00 62.43 C ATOM 1090 CE1 PHE A 71 -5.440 26.443 -18.008 1.00 71.13 C ATOM 1091 CE2 PHE A 71 -6.398 27.111 -15.922 1.00 40.23 C ATOM 1092 CZ PHE A 71 -5.318 27.067 -16.782 1.00 60.33 C ATOM 0 H PHE A 71 -11.603 24.872 -18.097 1.00 74.42 H new ATOM 0 HA PHE A 71 -9.868 27.251 -17.957 1.00 54.03 H new ATOM 0 HB2 PHE A 71 -9.443 24.726 -17.060 1.00 64.20 H new ATOM 0 HB3 PHE A 71 -8.854 24.539 -18.700 1.00 64.20 H new ATOM 0 HD1 PHE A 71 -6.732 25.376 -19.330 1.00 43.31 H new ATOM 0 HD2 PHE A 71 -8.438 26.567 -15.612 1.00 62.43 H new ATOM 0 HE1 PHE A 71 -4.598 26.408 -18.683 1.00 71.13 H new ATOM 0 HE2 PHE A 71 -6.305 27.599 -14.963 1.00 40.23 H new ATOM 0 HZ PHE A 71 -4.380 27.520 -16.496 1.00 60.33 H new ATOM 1102 N ARG A 72 -11.095 26.085 -20.595 1.00 75.25 N ATOM 1103 CA ARG A 72 -11.150 26.167 -22.050 1.00 71.11 C ATOM 1104 C ARG A 72 -10.149 25.207 -22.687 1.00 11.22 C ATOM 1105 O ARG A 72 -9.357 25.599 -23.544 1.00 24.53 O ATOM 1106 CB ARG A 72 -10.867 27.597 -22.512 1.00 45.34 C ATOM 1107 CG ARG A 72 -11.617 27.990 -23.774 1.00 73.44 C ATOM 1108 CD ARG A 72 -10.938 29.147 -24.490 1.00 20.22 C ATOM 1109 NE ARG A 72 -11.651 30.406 -24.293 1.00 3.21 N ATOM 1110 CZ ARG A 72 -12.844 30.665 -24.816 1.00 32.35 C ATOM 1111 NH1 ARG A 72 -13.456 29.756 -25.562 1.00 65.44 N ATOM 1112 NH2 ARG A 72 -13.429 31.834 -24.591 1.00 40.40 N ATOM 0 H ARG A 72 -11.957 25.760 -20.158 1.00 75.25 H new ATOM 0 HA ARG A 72 -12.153 25.882 -22.368 1.00 71.11 H new ATOM 0 HB2 ARG A 72 -11.133 28.288 -21.712 1.00 45.34 H new ATOM 0 HB3 ARG A 72 -9.797 27.708 -22.686 1.00 45.34 H new ATOM 0 HG2 ARG A 72 -11.678 27.132 -24.444 1.00 73.44 H new ATOM 0 HG3 ARG A 72 -12.639 28.269 -23.519 1.00 73.44 H new ATOM 0 HD2 ARG A 72 -9.916 29.249 -24.126 1.00 20.22 H new ATOM 0 HD3 ARG A 72 -10.877 28.928 -25.556 1.00 20.22 H new ATOM 0 HE ARG A 72 -11.208 31.126 -23.722 1.00 3.21 H new ATOM 0 HH11 ARG A 72 -13.011 28.855 -25.736 1.00 65.44 H new ATOM 0 HH12 ARG A 72 -14.372 29.958 -25.962 1.00 65.44 H new ATOM 0 HH21 ARG A 72 -12.963 32.535 -24.016 1.00 40.40 H new ATOM 0 HH22 ARG A 72 -14.345 32.032 -24.993 1.00 40.40 H new ATOM 1126 N VAL A 73 -10.191 23.948 -22.261 1.00 41.54 N ATOM 1127 CA VAL A 73 -9.289 22.933 -22.790 1.00 25.52 C ATOM 1128 C VAL A 73 -9.925 22.184 -23.956 1.00 15.55 C ATOM 1129 O VAL A 73 -10.698 21.247 -23.757 1.00 31.01 O ATOM 1130 CB VAL A 73 -8.886 21.919 -21.702 1.00 61.12 C ATOM 1131 CG1 VAL A 73 -7.782 21.002 -22.208 1.00 55.54 C ATOM 1132 CG2 VAL A 73 -8.451 22.641 -20.436 1.00 13.31 C ATOM 0 H VAL A 73 -10.840 23.608 -21.551 1.00 41.54 H new ATOM 0 HA VAL A 73 -8.398 23.454 -23.140 1.00 25.52 H new ATOM 0 HB VAL A 73 -9.754 21.305 -21.463 1.00 61.12 H new ATOM 0 HG11 VAL A 73 -7.511 20.293 -21.426 1.00 55.54 H new ATOM 0 HG12 VAL A 73 -8.134 20.458 -23.085 1.00 55.54 H new ATOM 0 HG13 VAL A 73 -6.909 21.597 -22.477 1.00 55.54 H new ATOM 0 HG21 VAL A 73 -8.170 21.910 -19.678 1.00 13.31 H new ATOM 0 HG22 VAL A 73 -7.597 23.281 -20.657 1.00 13.31 H new ATOM 0 HG23 VAL A 73 -9.274 23.251 -20.064 1.00 13.31 H new ATOM 1142 N SER A 74 -9.596 22.605 -25.172 1.00 44.15 N ATOM 1143 CA SER A 74 -10.138 21.977 -26.371 1.00 71.05 C ATOM 1144 C SER A 74 -9.209 20.877 -26.876 1.00 72.11 C ATOM 1145 O SER A 74 -9.071 20.672 -28.082 1.00 1.13 O ATOM 1146 CB SER A 74 -10.352 23.022 -27.468 1.00 51.10 C ATOM 1147 OG SER A 74 -10.437 24.326 -26.920 1.00 42.21 O ATOM 0 H SER A 74 -8.957 23.379 -25.353 1.00 44.15 H new ATOM 0 HA SER A 74 -11.098 21.529 -26.114 1.00 71.05 H new ATOM 0 HB2 SER A 74 -9.530 22.977 -28.183 1.00 51.10 H new ATOM 0 HB3 SER A 74 -11.265 22.795 -28.018 1.00 51.10 H new ATOM 0 HG SER A 74 -10.572 24.976 -27.641 1.00 42.21 H new ATOM 1153 N GLN A 75 -8.575 20.173 -25.944 1.00 74.40 N ATOM 1154 CA GLN A 75 -7.659 19.094 -26.294 1.00 20.32 C ATOM 1155 C GLN A 75 -7.374 18.208 -25.085 1.00 74.03 C ATOM 1156 O GLN A 75 -7.327 18.686 -23.952 1.00 61.41 O ATOM 1157 CB GLN A 75 -6.350 19.665 -26.842 1.00 11.45 C ATOM 1158 CG GLN A 75 -6.105 19.330 -28.304 1.00 4.22 C ATOM 1159 CD GLN A 75 -5.578 20.512 -29.093 1.00 42.41 C ATOM 1160 OE1 GLN A 75 -5.108 21.496 -28.521 1.00 12.25 O ATOM 1161 NE2 GLN A 75 -5.653 20.422 -30.416 1.00 2.12 N ATOM 0 H GLN A 75 -8.679 20.330 -24.942 1.00 74.40 H new ATOM 0 HA GLN A 75 -8.132 18.485 -27.064 1.00 20.32 H new ATOM 0 HB2 GLN A 75 -6.358 20.748 -26.723 1.00 11.45 H new ATOM 0 HB3 GLN A 75 -5.520 19.285 -26.247 1.00 11.45 H new ATOM 0 HG2 GLN A 75 -5.393 18.507 -28.370 1.00 4.22 H new ATOM 0 HG3 GLN A 75 -7.035 18.983 -28.754 1.00 4.22 H new ATOM 0 HE21 GLN A 75 -6.050 19.588 -30.849 1.00 2.12 H new ATOM 0 HE22 GLN A 75 -5.314 21.187 -30.999 1.00 2.12 H new ATOM 1170 N GLN A 76 -7.186 16.916 -25.336 1.00 13.33 N ATOM 1171 CA GLN A 76 -6.908 15.964 -24.267 1.00 44.22 C ATOM 1172 C GLN A 76 -5.514 15.365 -24.422 1.00 61.52 C ATOM 1173 O GLN A 76 -5.363 14.228 -24.869 1.00 62.34 O ATOM 1174 CB GLN A 76 -7.957 14.851 -24.261 1.00 2.14 C ATOM 1175 CG GLN A 76 -9.350 15.330 -23.884 1.00 44.13 C ATOM 1176 CD GLN A 76 -9.954 16.246 -24.930 1.00 40.20 C ATOM 1177 OE1 GLN A 76 -10.474 17.315 -24.609 1.00 51.34 O ATOM 1178 NE2 GLN A 76 -9.888 15.832 -26.190 1.00 35.52 N ATOM 0 H GLN A 76 -7.221 16.505 -26.269 1.00 13.33 H new ATOM 0 HA GLN A 76 -6.951 16.498 -23.318 1.00 44.22 H new ATOM 0 HB2 GLN A 76 -7.994 14.393 -25.249 1.00 2.14 H new ATOM 0 HB3 GLN A 76 -7.647 14.075 -23.561 1.00 2.14 H new ATOM 0 HG2 GLN A 76 -10.001 14.467 -23.742 1.00 44.13 H new ATOM 0 HG3 GLN A 76 -9.304 15.855 -22.930 1.00 44.13 H new ATOM 0 HE21 GLN A 76 -9.448 14.939 -26.411 1.00 35.52 H new ATOM 0 HE22 GLN A 76 -10.277 16.407 -26.937 1.00 35.52 H new ATOM 1187 N SER A 77 -4.498 16.137 -24.050 1.00 60.22 N ATOM 1188 CA SER A 77 -3.116 15.683 -24.152 1.00 2.30 C ATOM 1189 C SER A 77 -2.269 16.264 -23.024 1.00 0.33 C ATOM 1190 O SER A 77 -1.039 16.250 -23.083 1.00 40.23 O ATOM 1191 CB SER A 77 -2.525 16.081 -25.506 1.00 4.43 C ATOM 1192 OG SER A 77 -2.841 17.425 -25.825 1.00 53.22 O ATOM 0 H SER A 77 -4.606 17.080 -23.675 1.00 60.22 H new ATOM 0 HA SER A 77 -3.109 14.596 -24.066 1.00 2.30 H new ATOM 0 HB2 SER A 77 -1.443 15.954 -25.485 1.00 4.43 H new ATOM 0 HB3 SER A 77 -2.909 15.420 -26.283 1.00 4.43 H new ATOM 0 HG SER A 77 -3.055 17.493 -26.779 1.00 53.22 H new ATOM 1198 N THR A 78 -2.937 16.776 -21.994 1.00 63.11 N ATOM 1199 CA THR A 78 -2.248 17.363 -20.852 1.00 44.21 C ATOM 1200 C THR A 78 -1.462 16.308 -20.082 1.00 10.12 C ATOM 1201 O THR A 78 -1.809 15.126 -20.097 1.00 53.43 O ATOM 1202 CB THR A 78 -3.236 18.053 -19.893 1.00 73.41 C ATOM 1203 OG1 THR A 78 -2.764 19.363 -19.561 1.00 70.02 O ATOM 1204 CG2 THR A 78 -3.416 17.236 -18.622 1.00 71.13 C ATOM 0 H THR A 78 -3.955 16.796 -21.928 1.00 63.11 H new ATOM 0 HA THR A 78 -1.558 18.108 -21.248 1.00 44.21 H new ATOM 0 HB THR A 78 -4.200 18.132 -20.395 1.00 73.41 H new ATOM 0 HG1 THR A 78 -3.399 19.795 -18.952 1.00 70.02 H new ATOM 0 HG21 THR A 78 -4.118 17.743 -17.960 1.00 71.13 H new ATOM 0 HG22 THR A 78 -3.804 16.249 -18.876 1.00 71.13 H new ATOM 0 HG23 THR A 78 -2.455 17.130 -18.119 1.00 71.13 H new ATOM 1212 N LEU A 79 -0.402 16.741 -19.408 1.00 13.20 N ATOM 1213 CA LEU A 79 0.433 15.833 -18.630 1.00 1.12 C ATOM 1214 C LEU A 79 1.084 16.561 -17.458 1.00 43.23 C ATOM 1215 O LEU A 79 1.592 17.673 -17.611 1.00 22.43 O ATOM 1216 CB LEU A 79 1.510 15.210 -19.520 1.00 11.01 C ATOM 1217 CG LEU A 79 2.699 14.580 -18.794 1.00 1.20 C ATOM 1218 CD1 LEU A 79 3.255 13.412 -19.594 1.00 1.33 C ATOM 1219 CD2 LEU A 79 3.781 15.620 -18.542 1.00 25.31 C ATOM 0 H LEU A 79 -0.101 17.715 -19.385 1.00 13.20 H new ATOM 0 HA LEU A 79 -0.204 15.042 -18.234 1.00 1.12 H new ATOM 0 HB2 LEU A 79 1.043 14.446 -20.141 1.00 11.01 H new ATOM 0 HB3 LEU A 79 1.887 15.980 -20.193 1.00 11.01 H new ATOM 0 HG LEU A 79 2.354 14.202 -17.831 1.00 1.20 H new ATOM 0 HD11 LEU A 79 4.101 12.976 -19.062 1.00 1.33 H new ATOM 0 HD12 LEU A 79 2.479 12.657 -19.723 1.00 1.33 H new ATOM 0 HD13 LEU A 79 3.584 13.764 -20.572 1.00 1.33 H new ATOM 0 HD21 LEU A 79 4.620 15.154 -18.024 1.00 25.31 H new ATOM 0 HD22 LEU A 79 4.123 16.027 -19.493 1.00 25.31 H new ATOM 0 HD23 LEU A 79 3.377 16.424 -17.927 1.00 25.31 H new ATOM 1231 N ILE A 80 1.067 15.927 -16.291 1.00 64.20 N ATOM 1232 CA ILE A 80 1.659 16.513 -15.095 1.00 23.01 C ATOM 1233 C ILE A 80 1.935 15.448 -14.039 1.00 61.43 C ATOM 1234 O ILE A 80 1.010 14.848 -13.490 1.00 71.21 O ATOM 1235 CB ILE A 80 0.748 17.596 -14.489 1.00 13.33 C ATOM 1236 CG1 ILE A 80 -0.723 17.246 -14.724 1.00 11.04 C ATOM 1237 CG2 ILE A 80 1.075 18.958 -15.084 1.00 22.34 C ATOM 1238 CD1 ILE A 80 -1.686 18.248 -14.125 1.00 62.24 C ATOM 0 H ILE A 80 0.650 15.007 -16.148 1.00 64.20 H new ATOM 0 HA ILE A 80 2.600 16.970 -15.401 1.00 23.01 H new ATOM 0 HB ILE A 80 0.925 17.639 -13.414 1.00 13.33 H new ATOM 0 HG12 ILE A 80 -0.905 17.176 -15.796 1.00 11.04 H new ATOM 0 HG13 ILE A 80 -0.926 16.262 -14.302 1.00 11.04 H new ATOM 0 HG21 ILE A 80 0.422 19.713 -14.645 1.00 22.34 H new ATOM 0 HG22 ILE A 80 2.114 19.208 -14.870 1.00 22.34 H new ATOM 0 HG23 ILE A 80 0.923 18.930 -16.163 1.00 22.34 H new ATOM 0 HD11 ILE A 80 -2.710 17.936 -14.330 1.00 62.24 H new ATOM 0 HD12 ILE A 80 -1.532 18.301 -13.047 1.00 62.24 H new ATOM 0 HD13 ILE A 80 -1.510 19.229 -14.565 1.00 62.24 H new ATOM 1250 N LEU A 81 3.213 15.218 -13.758 1.00 40.05 N ATOM 1251 CA LEU A 81 3.612 14.226 -12.766 1.00 60.23 C ATOM 1252 C LEU A 81 4.166 14.899 -11.515 1.00 2.30 C ATOM 1253 O LEU A 81 5.191 15.579 -11.566 1.00 43.50 O ATOM 1254 CB LEU A 81 4.659 13.279 -13.356 1.00 33.34 C ATOM 1255 CG LEU A 81 5.522 12.521 -12.347 1.00 5.25 C ATOM 1256 CD1 LEU A 81 4.650 11.833 -11.308 1.00 25.10 C ATOM 1257 CD2 LEU A 81 6.409 11.509 -13.057 1.00 72.31 C ATOM 0 H LEU A 81 3.991 15.705 -14.203 1.00 40.05 H new ATOM 0 HA LEU A 81 2.728 13.652 -12.486 1.00 60.23 H new ATOM 0 HB2 LEU A 81 4.148 12.551 -13.986 1.00 33.34 H new ATOM 0 HB3 LEU A 81 5.317 13.856 -14.006 1.00 33.34 H new ATOM 0 HG LEU A 81 6.163 13.239 -11.835 1.00 5.25 H new ATOM 0 HD11 LEU A 81 5.282 11.299 -10.599 1.00 25.10 H new ATOM 0 HD12 LEU A 81 4.059 12.579 -10.777 1.00 25.10 H new ATOM 0 HD13 LEU A 81 3.983 11.127 -11.803 1.00 25.10 H new ATOM 0 HD21 LEU A 81 7.016 10.979 -12.323 1.00 72.31 H new ATOM 0 HD22 LEU A 81 5.787 10.795 -13.597 1.00 72.31 H new ATOM 0 HD23 LEU A 81 7.061 12.027 -13.761 1.00 72.31 H new ATOM 1269 N TYR A 82 3.483 14.704 -10.393 1.00 23.34 N ATOM 1270 CA TYR A 82 3.907 15.292 -9.128 1.00 0.33 C ATOM 1271 C TYR A 82 4.788 14.324 -8.344 1.00 44.14 C ATOM 1272 O TYR A 82 4.414 13.174 -8.113 1.00 52.43 O ATOM 1273 CB TYR A 82 2.689 15.683 -8.289 1.00 73.32 C ATOM 1274 CG TYR A 82 2.376 17.162 -8.327 1.00 63.51 C ATOM 1275 CD1 TYR A 82 2.619 17.971 -7.224 1.00 42.22 C ATOM 1276 CD2 TYR A 82 1.837 17.749 -9.465 1.00 5.11 C ATOM 1277 CE1 TYR A 82 2.335 19.323 -7.254 1.00 32.23 C ATOM 1278 CE2 TYR A 82 1.551 19.100 -9.504 1.00 23.01 C ATOM 1279 CZ TYR A 82 1.801 19.882 -8.396 1.00 5.50 C ATOM 1280 OH TYR A 82 1.516 21.228 -8.430 1.00 44.34 O ATOM 0 H TYR A 82 2.633 14.143 -10.333 1.00 23.34 H new ATOM 0 HA TYR A 82 4.489 16.186 -9.351 1.00 0.33 H new ATOM 0 HB2 TYR A 82 1.821 15.127 -8.643 1.00 73.32 H new ATOM 0 HB3 TYR A 82 2.859 15.383 -7.255 1.00 73.32 H new ATOM 0 HD1 TYR A 82 3.037 17.536 -6.328 1.00 42.22 H new ATOM 0 HD2 TYR A 82 1.638 17.139 -10.334 1.00 5.11 H new ATOM 0 HE1 TYR A 82 2.530 19.938 -6.388 1.00 32.23 H new ATOM 0 HE2 TYR A 82 1.134 19.541 -10.397 1.00 23.01 H new ATOM 0 HH TYR A 82 1.147 21.462 -9.307 1.00 44.34 H new ATOM 1290 N ARG A 83 5.961 14.799 -7.938 1.00 65.42 N ATOM 1291 CA ARG A 83 6.898 13.976 -7.181 1.00 54.23 C ATOM 1292 C ARG A 83 7.043 14.493 -5.753 1.00 20.31 C ATOM 1293 O ARG A 83 7.769 15.453 -5.501 1.00 10.23 O ATOM 1294 CB ARG A 83 8.264 13.956 -7.869 1.00 52.24 C ATOM 1295 CG ARG A 83 9.279 13.059 -7.181 1.00 63.11 C ATOM 1296 CD ARG A 83 8.815 11.611 -7.153 1.00 40.15 C ATOM 1297 NE ARG A 83 9.874 10.705 -6.718 1.00 21.14 N ATOM 1298 CZ ARG A 83 9.654 9.463 -6.301 1.00 75.14 C ATOM 1299 NH1 ARG A 83 8.419 8.982 -6.265 1.00 74.23 N ATOM 1300 NH2 ARG A 83 10.670 8.699 -5.921 1.00 14.13 N ATOM 0 H ARG A 83 6.285 15.749 -8.120 1.00 65.42 H new ATOM 0 HA ARG A 83 6.503 12.961 -7.144 1.00 54.23 H new ATOM 0 HB2 ARG A 83 8.138 13.624 -8.899 1.00 52.24 H new ATOM 0 HB3 ARG A 83 8.657 14.972 -7.908 1.00 52.24 H new ATOM 0 HG2 ARG A 83 10.235 13.126 -7.700 1.00 63.11 H new ATOM 0 HG3 ARG A 83 9.444 13.409 -6.162 1.00 63.11 H new ATOM 0 HD2 ARG A 83 7.960 11.517 -6.483 1.00 40.15 H new ATOM 0 HD3 ARG A 83 8.475 11.320 -8.147 1.00 40.15 H new ATOM 0 HE ARG A 83 10.836 11.044 -6.735 1.00 21.14 H new ATOM 0 HH11 ARG A 83 7.636 9.566 -6.558 1.00 74.23 H new ATOM 0 HH12 ARG A 83 8.252 8.028 -5.945 1.00 74.23 H new ATOM 0 HH21 ARG A 83 11.622 9.065 -5.949 1.00 14.13 H new ATOM 0 HH22 ARG A 83 10.499 7.746 -5.601 1.00 14.13 H new ATOM 1314 N ASN A 84 6.347 13.848 -4.822 1.00 73.03 N ATOM 1315 CA ASN A 84 6.397 14.243 -3.419 1.00 65.22 C ATOM 1316 C ASN A 84 5.767 15.617 -3.218 1.00 14.32 C ATOM 1317 O ASN A 84 6.223 16.407 -2.392 1.00 65.32 O ATOM 1318 CB ASN A 84 7.845 14.256 -2.924 1.00 11.14 C ATOM 1319 CG ASN A 84 7.968 13.786 -1.487 1.00 45.20 C ATOM 1320 OD1 ASN A 84 8.817 12.954 -1.165 1.00 40.41 O ATOM 1321 ND2 ASN A 84 7.120 14.318 -0.616 1.00 15.44 N ATOM 0 H ASN A 84 5.742 13.050 -5.014 1.00 73.03 H new ATOM 0 HA ASN A 84 5.828 13.515 -2.841 1.00 65.22 H new ATOM 0 HB2 ASN A 84 8.451 13.617 -3.566 1.00 11.14 H new ATOM 0 HB3 ASN A 84 8.246 15.266 -3.009 1.00 11.14 H new ATOM 0 HD21 ASN A 84 7.156 14.041 0.365 1.00 15.44 H new ATOM 0 HD22 ASN A 84 6.433 15.004 -0.927 1.00 15.44 H new ATOM 1328 N GLY A 85 4.712 15.896 -3.979 1.00 23.04 N ATOM 1329 CA GLY A 85 4.035 17.175 -3.868 1.00 62.24 C ATOM 1330 C GLY A 85 4.762 18.281 -4.607 1.00 0.21 C ATOM 1331 O GLY A 85 4.700 19.445 -4.211 1.00 34.32 O ATOM 0 H GLY A 85 4.315 15.259 -4.670 1.00 23.04 H new ATOM 0 HA2 GLY A 85 3.023 17.083 -4.263 1.00 62.24 H new ATOM 0 HA3 GLY A 85 3.944 17.444 -2.816 1.00 62.24 H new ATOM 1335 N GLN A 86 5.454 17.918 -5.682 1.00 21.32 N ATOM 1336 CA GLN A 86 6.198 18.889 -6.475 1.00 72.13 C ATOM 1337 C GLN A 86 6.014 18.628 -7.967 1.00 3.23 C ATOM 1338 O GLN A 86 6.116 17.490 -8.424 1.00 43.41 O ATOM 1339 CB GLN A 86 7.684 18.841 -6.116 1.00 40.43 C ATOM 1340 CG GLN A 86 8.409 20.156 -6.352 1.00 43.44 C ATOM 1341 CD GLN A 86 8.192 21.153 -5.231 1.00 33.54 C ATOM 1342 OE1 GLN A 86 7.692 20.802 -4.161 1.00 72.54 O ATOM 1343 NE2 GLN A 86 8.567 22.404 -5.468 1.00 63.25 N ATOM 0 H GLN A 86 5.515 16.959 -6.024 1.00 21.32 H new ATOM 0 HA GLN A 86 5.809 19.881 -6.247 1.00 72.13 H new ATOM 0 HB2 GLN A 86 7.787 18.562 -5.067 1.00 40.43 H new ATOM 0 HB3 GLN A 86 8.166 18.059 -6.703 1.00 40.43 H new ATOM 0 HG2 GLN A 86 9.476 19.963 -6.460 1.00 43.44 H new ATOM 0 HG3 GLN A 86 8.067 20.591 -7.291 1.00 43.44 H new ATOM 0 HE21 GLN A 86 8.977 22.652 -6.369 1.00 63.25 H new ATOM 0 HE22 GLN A 86 8.445 23.118 -4.750 1.00 63.25 H new ATOM 1352 N GLU A 87 5.743 19.690 -8.719 1.00 72.02 N ATOM 1353 CA GLU A 87 5.544 19.574 -10.159 1.00 51.21 C ATOM 1354 C GLU A 87 6.869 19.320 -10.873 1.00 34.14 C ATOM 1355 O GLU A 87 7.730 20.197 -10.938 1.00 51.10 O ATOM 1356 CB GLU A 87 4.891 20.844 -10.710 1.00 30.22 C ATOM 1357 CG GLU A 87 5.628 22.119 -10.336 1.00 63.31 C ATOM 1358 CD GLU A 87 6.012 22.947 -11.547 1.00 24.30 C ATOM 1359 OE1 GLU A 87 7.167 22.823 -12.007 1.00 51.52 O ATOM 1360 OE2 GLU A 87 5.159 23.718 -12.034 1.00 64.30 O ATOM 0 H GLU A 87 5.656 20.639 -8.356 1.00 72.02 H new ATOM 0 HA GLU A 87 4.884 18.726 -10.341 1.00 51.21 H new ATOM 0 HB2 GLU A 87 4.835 20.772 -11.796 1.00 30.22 H new ATOM 0 HB3 GLU A 87 3.867 20.905 -10.342 1.00 30.22 H new ATOM 0 HG2 GLU A 87 5.000 22.717 -9.676 1.00 63.31 H new ATOM 0 HG3 GLU A 87 6.527 21.863 -9.775 1.00 63.31 H new ATOM 1367 N VAL A 88 7.024 18.112 -11.406 1.00 4.31 N ATOM 1368 CA VAL A 88 8.243 17.741 -12.115 1.00 41.22 C ATOM 1369 C VAL A 88 8.273 18.351 -13.512 1.00 42.01 C ATOM 1370 O VAL A 88 9.098 19.216 -13.805 1.00 3.50 O ATOM 1371 CB VAL A 88 8.381 16.212 -12.232 1.00 21.44 C ATOM 1372 CG1 VAL A 88 9.634 15.846 -13.012 1.00 45.21 C ATOM 1373 CG2 VAL A 88 8.397 15.572 -10.851 1.00 70.15 C ATOM 0 H VAL A 88 6.321 17.374 -11.360 1.00 4.31 H new ATOM 0 HA VAL A 88 9.078 18.130 -11.533 1.00 41.22 H new ATOM 0 HB VAL A 88 7.519 15.828 -12.777 1.00 21.44 H new ATOM 0 HG11 VAL A 88 9.714 14.761 -13.084 1.00 45.21 H new ATOM 0 HG12 VAL A 88 9.577 16.273 -14.013 1.00 45.21 H new ATOM 0 HG13 VAL A 88 10.511 16.241 -12.499 1.00 45.21 H new ATOM 0 HG21 VAL A 88 8.495 14.491 -10.952 1.00 70.15 H new ATOM 0 HG22 VAL A 88 9.240 15.961 -10.279 1.00 70.15 H new ATOM 0 HG23 VAL A 88 7.468 15.805 -10.331 1.00 70.15 H new ATOM 1383 N ARG A 89 7.368 17.894 -14.371 1.00 14.22 N ATOM 1384 CA ARG A 89 7.291 18.394 -15.738 1.00 53.31 C ATOM 1385 C ARG A 89 5.852 18.370 -16.246 1.00 30.31 C ATOM 1386 O ARG A 89 4.976 17.761 -15.630 1.00 44.43 O ATOM 1387 CB ARG A 89 8.182 17.560 -16.660 1.00 4.22 C ATOM 1388 CG ARG A 89 9.364 18.331 -17.226 1.00 14.32 C ATOM 1389 CD ARG A 89 10.632 18.071 -16.429 1.00 63.41 C ATOM 1390 NE ARG A 89 11.820 18.583 -17.107 1.00 54.54 N ATOM 1391 CZ ARG A 89 13.034 18.575 -16.570 1.00 64.41 C ATOM 1392 NH1 ARG A 89 13.221 18.081 -15.354 1.00 2.44 N ATOM 1393 NH2 ARG A 89 14.066 19.059 -17.250 1.00 54.31 N ATOM 0 H ARG A 89 6.678 17.178 -14.144 1.00 14.22 H new ATOM 0 HA ARG A 89 7.642 19.426 -15.741 1.00 53.31 H new ATOM 0 HB2 ARG A 89 8.553 16.696 -16.109 1.00 4.22 H new ATOM 0 HB3 ARG A 89 7.580 17.178 -17.484 1.00 4.22 H new ATOM 0 HG2 ARG A 89 9.522 18.045 -18.266 1.00 14.32 H new ATOM 0 HG3 ARG A 89 9.141 19.398 -17.219 1.00 14.32 H new ATOM 0 HD2 ARG A 89 10.545 18.538 -15.448 1.00 63.41 H new ATOM 0 HD3 ARG A 89 10.743 16.999 -16.264 1.00 63.41 H new ATOM 0 HE ARG A 89 11.711 18.968 -18.045 1.00 54.54 H new ATOM 0 HH11 ARG A 89 12.431 17.706 -14.829 1.00 2.44 H new ATOM 0 HH12 ARG A 89 14.155 18.076 -14.944 1.00 2.44 H new ATOM 0 HH21 ARG A 89 13.927 19.438 -18.187 1.00 54.31 H new ATOM 0 HH22 ARG A 89 14.998 19.052 -16.836 1.00 54.31 H new ATOM 1407 N ARG A 90 5.616 19.035 -17.372 1.00 12.44 N ATOM 1408 CA ARG A 90 4.283 19.091 -17.961 1.00 4.51 C ATOM 1409 C ARG A 90 4.359 19.449 -19.442 1.00 72.14 C ATOM 1410 O ARG A 90 5.265 20.161 -19.874 1.00 1.40 O ATOM 1411 CB ARG A 90 3.418 20.114 -17.222 1.00 3.10 C ATOM 1412 CG ARG A 90 3.356 21.469 -17.909 1.00 33.41 C ATOM 1413 CD ARG A 90 4.722 22.134 -17.954 1.00 3.11 C ATOM 1414 NE ARG A 90 4.933 23.029 -16.819 1.00 51.12 N ATOM 1415 CZ ARG A 90 5.937 23.896 -16.743 1.00 71.51 C ATOM 1416 NH1 ARG A 90 6.817 23.984 -17.731 1.00 22.44 N ATOM 1417 NH2 ARG A 90 6.061 24.677 -15.678 1.00 25.44 N ATOM 0 H ARG A 90 6.330 19.542 -17.895 1.00 12.44 H new ATOM 0 HA ARG A 90 3.829 18.105 -17.865 1.00 4.51 H new ATOM 0 HB2 ARG A 90 2.407 19.719 -17.124 1.00 3.10 H new ATOM 0 HB3 ARG A 90 3.808 20.245 -16.213 1.00 3.10 H new ATOM 0 HG2 ARG A 90 2.976 21.347 -18.923 1.00 33.41 H new ATOM 0 HG3 ARG A 90 2.653 22.114 -17.381 1.00 33.41 H new ATOM 0 HD2 ARG A 90 5.498 21.368 -17.961 1.00 3.11 H new ATOM 0 HD3 ARG A 90 4.821 22.696 -18.882 1.00 3.11 H new ATOM 0 HE ARG A 90 4.273 22.986 -16.042 1.00 51.12 H new ATOM 0 HH11 ARG A 90 6.724 23.385 -18.552 1.00 22.44 H new ATOM 0 HH12 ARG A 90 7.587 24.650 -17.670 1.00 22.44 H new ATOM 0 HH21 ARG A 90 5.385 24.612 -14.917 1.00 25.44 H new ATOM 0 HH22 ARG A 90 6.832 25.342 -15.620 1.00 25.44 H new ATOM 1431 N SER A 91 3.401 18.949 -20.216 1.00 72.51 N ATOM 1432 CA SER A 91 3.361 19.211 -21.650 1.00 11.21 C ATOM 1433 C SER A 91 1.989 18.874 -22.226 1.00 40.10 C ATOM 1434 O SER A 91 1.351 17.905 -21.812 1.00 42.44 O ATOM 1435 CB SER A 91 4.442 18.401 -22.368 1.00 54.05 C ATOM 1436 OG SER A 91 3.875 17.562 -23.360 1.00 41.44 O ATOM 0 H SER A 91 2.642 18.360 -19.874 1.00 72.51 H new ATOM 0 HA SER A 91 3.550 20.273 -21.806 1.00 11.21 H new ATOM 0 HB2 SER A 91 5.163 19.077 -22.828 1.00 54.05 H new ATOM 0 HB3 SER A 91 4.989 17.796 -21.645 1.00 54.05 H new ATOM 0 HG SER A 91 4.447 17.563 -24.156 1.00 41.44 H new ATOM 1442 N ILE A 92 1.542 19.680 -23.183 1.00 12.43 N ATOM 1443 CA ILE A 92 0.247 19.468 -23.817 1.00 34.33 C ATOM 1444 C ILE A 92 0.367 19.500 -25.337 1.00 13.15 C ATOM 1445 O ILE A 92 1.175 20.244 -25.890 1.00 52.32 O ATOM 1446 CB ILE A 92 -0.779 20.527 -23.371 1.00 61.14 C ATOM 1447 CG1 ILE A 92 -2.195 20.089 -23.752 1.00 43.33 C ATOM 1448 CG2 ILE A 92 -0.451 21.876 -23.993 1.00 5.34 C ATOM 1449 CD1 ILE A 92 -3.261 21.092 -23.369 1.00 63.10 C ATOM 0 H ILE A 92 2.058 20.486 -23.536 1.00 12.43 H new ATOM 0 HA ILE A 92 -0.100 18.484 -23.503 1.00 34.33 H new ATOM 0 HB ILE A 92 -0.729 20.626 -22.287 1.00 61.14 H new ATOM 0 HG12 ILE A 92 -2.237 19.919 -24.828 1.00 43.33 H new ATOM 0 HG13 ILE A 92 -2.414 19.136 -23.270 1.00 43.33 H new ATOM 0 HG21 ILE A 92 -1.185 22.614 -23.669 1.00 5.34 H new ATOM 0 HG22 ILE A 92 0.544 22.190 -23.677 1.00 5.34 H new ATOM 0 HG23 ILE A 92 -0.477 21.792 -25.079 1.00 5.34 H new ATOM 0 HD11 ILE A 92 -4.239 20.716 -23.669 1.00 63.10 H new ATOM 0 HD12 ILE A 92 -3.246 21.244 -22.290 1.00 63.10 H new ATOM 0 HD13 ILE A 92 -3.067 22.039 -23.872 1.00 63.10 H new ATOM 1461 N GLY A 93 -0.446 18.688 -26.006 1.00 65.15 N ATOM 1462 CA GLY A 93 -0.416 18.640 -27.457 1.00 1.04 C ATOM 1463 C GLY A 93 0.530 17.579 -27.982 1.00 61.25 C ATOM 1464 O GLY A 93 1.649 17.885 -28.394 1.00 34.12 O ATOM 0 H GLY A 93 -1.124 18.063 -25.570 1.00 65.15 H new ATOM 0 HA2 GLY A 93 -1.421 18.444 -27.832 1.00 1.04 H new ATOM 0 HA3 GLY A 93 -0.116 19.614 -27.844 1.00 1.04 H new ATOM 1468 N GLU A 94 0.081 16.328 -27.968 1.00 32.35 N ATOM 1469 CA GLU A 94 0.897 15.218 -28.445 1.00 24.24 C ATOM 1470 C GLU A 94 2.154 15.062 -27.593 1.00 63.14 C ATOM 1471 O GLU A 94 2.536 15.972 -26.856 1.00 64.43 O ATOM 1472 CB GLU A 94 1.284 15.432 -29.910 1.00 14.45 C ATOM 1473 CG GLU A 94 2.765 15.701 -30.115 1.00 71.14 C ATOM 1474 CD GLU A 94 3.083 16.168 -31.523 1.00 21.44 C ATOM 1475 OE1 GLU A 94 3.817 17.168 -31.663 1.00 41.23 O ATOM 1476 OE2 GLU A 94 2.598 15.533 -32.483 1.00 4.04 O ATOM 0 H GLU A 94 -0.843 16.058 -27.632 1.00 32.35 H new ATOM 0 HA GLU A 94 0.307 14.305 -28.363 1.00 24.24 H new ATOM 0 HB2 GLU A 94 1.001 14.550 -30.484 1.00 14.45 H new ATOM 0 HB3 GLU A 94 0.712 16.270 -30.309 1.00 14.45 H new ATOM 0 HG2 GLU A 94 3.095 16.456 -29.402 1.00 71.14 H new ATOM 0 HG3 GLU A 94 3.329 14.793 -29.901 1.00 71.14 H new ATOM 1483 N THR A 95 2.794 13.901 -27.700 1.00 0.31 N ATOM 1484 CA THR A 95 4.006 13.624 -26.940 1.00 3.21 C ATOM 1485 C THR A 95 5.022 14.750 -27.095 1.00 41.13 C ATOM 1486 O THR A 95 4.867 15.626 -27.946 1.00 13.21 O ATOM 1487 CB THR A 95 4.655 12.298 -27.381 1.00 11.44 C ATOM 1488 OG1 THR A 95 4.971 12.348 -28.776 1.00 75.35 O ATOM 1489 CG2 THR A 95 3.727 11.125 -27.106 1.00 60.44 C ATOM 0 H THR A 95 2.492 13.138 -28.306 1.00 0.31 H new ATOM 0 HA THR A 95 3.712 13.546 -25.893 1.00 3.21 H new ATOM 0 HB THR A 95 5.571 12.158 -26.807 1.00 11.44 H new ATOM 0 HG1 THR A 95 5.385 11.502 -29.048 1.00 75.35 H new ATOM 0 HG21 THR A 95 4.206 10.199 -27.425 1.00 60.44 H new ATOM 0 HG22 THR A 95 3.513 11.073 -26.039 1.00 60.44 H new ATOM 0 HG23 THR A 95 2.796 11.261 -27.657 1.00 60.44 H new ATOM 1497 N SER A 96 6.063 14.720 -26.269 1.00 14.53 N ATOM 1498 CA SER A 96 7.103 15.741 -26.313 1.00 1.14 C ATOM 1499 C SER A 96 8.177 15.468 -25.264 1.00 33.04 C ATOM 1500 O SER A 96 7.993 14.672 -24.343 1.00 32.41 O ATOM 1501 CB SER A 96 6.497 17.128 -26.089 1.00 74.20 C ATOM 1502 OG SER A 96 6.864 17.647 -24.823 1.00 33.25 O ATOM 0 H SER A 96 6.209 14.000 -25.561 1.00 14.53 H new ATOM 0 HA SER A 96 7.566 15.710 -27.299 1.00 1.14 H new ATOM 0 HB2 SER A 96 6.832 17.806 -26.874 1.00 74.20 H new ATOM 0 HB3 SER A 96 5.411 17.070 -26.160 1.00 74.20 H new ATOM 0 HG SER A 96 6.465 18.534 -24.705 1.00 33.25 H new ATOM 1508 N PRO A 97 9.326 16.144 -25.405 1.00 3.32 N ATOM 1509 CA PRO A 97 10.453 15.993 -24.479 1.00 71.52 C ATOM 1510 C PRO A 97 10.159 16.586 -23.106 1.00 33.13 C ATOM 1511 O PRO A 97 10.842 16.282 -22.128 1.00 64.03 O ATOM 1512 CB PRO A 97 11.582 16.766 -25.165 1.00 61.40 C ATOM 1513 CG PRO A 97 10.889 17.766 -26.024 1.00 11.21 C ATOM 1514 CD PRO A 97 9.615 17.110 -26.479 1.00 32.33 C ATOM 0 HA PRO A 97 10.688 14.945 -24.291 1.00 71.52 H new ATOM 0 HB2 PRO A 97 12.229 17.252 -24.435 1.00 61.40 H new ATOM 0 HB3 PRO A 97 12.212 16.103 -25.758 1.00 61.40 H new ATOM 0 HG2 PRO A 97 10.680 18.680 -25.468 1.00 11.21 H new ATOM 0 HG3 PRO A 97 11.509 18.046 -26.875 1.00 11.21 H new ATOM 0 HD2 PRO A 97 8.809 17.835 -26.595 1.00 32.33 H new ATOM 0 HD3 PRO A 97 9.740 16.615 -27.442 1.00 32.33 H new ATOM 1522 N SER A 98 9.137 17.433 -23.039 1.00 11.42 N ATOM 1523 CA SER A 98 8.754 18.072 -21.785 1.00 4.10 C ATOM 1524 C SER A 98 7.710 17.240 -21.048 1.00 32.42 C ATOM 1525 O SER A 98 7.512 17.397 -19.843 1.00 61.34 O ATOM 1526 CB SER A 98 8.210 19.477 -22.049 1.00 55.13 C ATOM 1527 OG SER A 98 8.663 20.393 -21.068 1.00 5.01 O ATOM 0 H SER A 98 8.559 17.693 -23.838 1.00 11.42 H new ATOM 0 HA SER A 98 9.642 18.146 -21.158 1.00 4.10 H new ATOM 0 HB2 SER A 98 8.525 19.812 -23.037 1.00 55.13 H new ATOM 0 HB3 SER A 98 7.120 19.453 -22.053 1.00 55.13 H new ATOM 0 HG SER A 98 8.303 21.284 -21.261 1.00 5.01 H new ATOM 1533 N ALA A 99 7.044 16.353 -21.781 1.00 13.51 N ATOM 1534 CA ALA A 99 6.021 15.494 -21.198 1.00 12.33 C ATOM 1535 C ALA A 99 6.637 14.232 -20.604 1.00 1.34 C ATOM 1536 O ALA A 99 6.210 13.757 -19.551 1.00 33.41 O ATOM 1537 CB ALA A 99 4.977 15.132 -22.244 1.00 13.24 C ATOM 0 H ALA A 99 7.195 16.211 -22.780 1.00 13.51 H new ATOM 0 HA ALA A 99 5.536 16.044 -20.392 1.00 12.33 H new ATOM 0 HB1 ALA A 99 4.219 14.490 -21.795 1.00 13.24 H new ATOM 0 HB2 ALA A 99 4.507 16.041 -22.619 1.00 13.24 H new ATOM 0 HB3 ALA A 99 5.456 14.605 -23.069 1.00 13.24 H new ATOM 1543 N LEU A 100 7.643 13.694 -21.284 1.00 73.14 N ATOM 1544 CA LEU A 100 8.318 12.486 -20.824 1.00 60.50 C ATOM 1545 C LEU A 100 9.436 12.826 -19.844 1.00 13.34 C ATOM 1546 O LEU A 100 9.862 11.983 -19.055 1.00 35.14 O ATOM 1547 CB LEU A 100 8.887 11.711 -22.014 1.00 33.51 C ATOM 1548 CG LEU A 100 9.797 10.530 -21.673 1.00 41.30 C ATOM 1549 CD1 LEU A 100 9.023 9.458 -20.923 1.00 35.20 C ATOM 1550 CD2 LEU A 100 10.421 9.955 -22.937 1.00 15.35 C ATOM 0 H LEU A 100 8.009 14.075 -22.156 1.00 73.14 H new ATOM 0 HA LEU A 100 7.585 11.864 -20.310 1.00 60.50 H new ATOM 0 HB2 LEU A 100 8.055 11.341 -22.613 1.00 33.51 H new ATOM 0 HB3 LEU A 100 9.446 12.406 -22.640 1.00 33.51 H new ATOM 0 HG LEU A 100 10.598 10.889 -21.027 1.00 41.30 H new ATOM 0 HD11 LEU A 100 9.687 8.626 -20.689 1.00 35.20 H new ATOM 0 HD12 LEU A 100 8.626 9.876 -19.998 1.00 35.20 H new ATOM 0 HD13 LEU A 100 8.200 9.102 -21.543 1.00 35.20 H new ATOM 0 HD21 LEU A 100 11.065 9.116 -22.675 1.00 15.35 H new ATOM 0 HD22 LEU A 100 9.633 9.612 -23.608 1.00 15.35 H new ATOM 0 HD23 LEU A 100 11.012 10.725 -23.434 1.00 15.35 H new ATOM 1562 N SER A 101 9.905 14.069 -19.898 1.00 21.31 N ATOM 1563 CA SER A 101 10.974 14.521 -19.016 1.00 5.03 C ATOM 1564 C SER A 101 10.586 14.336 -17.552 1.00 0.00 C ATOM 1565 O SER A 101 11.441 14.338 -16.666 1.00 41.13 O ATOM 1566 CB SER A 101 11.300 15.991 -19.287 1.00 5.02 C ATOM 1567 OG SER A 101 12.494 16.118 -20.039 1.00 44.23 O ATOM 0 H SER A 101 9.561 14.780 -20.543 1.00 21.31 H new ATOM 0 HA SER A 101 11.858 13.917 -19.218 1.00 5.03 H new ATOM 0 HB2 SER A 101 10.475 16.456 -19.827 1.00 5.02 H new ATOM 0 HB3 SER A 101 11.403 16.524 -18.342 1.00 5.02 H new ATOM 0 HG SER A 101 12.274 16.211 -20.989 1.00 44.23 H new ATOM 1573 N ASP A 102 9.290 14.176 -17.306 1.00 44.31 N ATOM 1574 CA ASP A 102 8.787 13.989 -15.950 1.00 72.14 C ATOM 1575 C ASP A 102 9.041 12.564 -15.468 1.00 41.14 C ATOM 1576 O ASP A 102 9.070 12.300 -14.266 1.00 51.22 O ATOM 1577 CB ASP A 102 7.291 14.301 -15.892 1.00 34.04 C ATOM 1578 CG ASP A 102 6.447 13.218 -16.535 1.00 25.42 C ATOM 1579 OD1 ASP A 102 6.957 12.532 -17.446 1.00 75.22 O ATOM 1580 OD2 ASP A 102 5.279 13.055 -16.126 1.00 71.13 O ATOM 0 H ASP A 102 8.569 14.172 -18.028 1.00 44.31 H new ATOM 0 HA ASP A 102 9.320 14.676 -15.293 1.00 72.14 H new ATOM 0 HB2 ASP A 102 6.989 14.423 -14.852 1.00 34.04 H new ATOM 0 HB3 ASP A 102 7.101 15.250 -16.393 1.00 34.04 H new ATOM 1585 N PHE A 103 9.224 11.649 -16.414 1.00 62.32 N ATOM 1586 CA PHE A 103 9.474 10.250 -16.086 1.00 61.03 C ATOM 1587 C PHE A 103 10.862 10.073 -15.478 1.00 45.53 C ATOM 1588 O PHE A 103 11.112 9.121 -14.739 1.00 24.24 O ATOM 1589 CB PHE A 103 9.338 9.379 -17.337 1.00 30.23 C ATOM 1590 CG PHE A 103 10.610 8.679 -17.721 1.00 43.33 C ATOM 1591 CD1 PHE A 103 11.442 9.211 -18.694 1.00 30.33 C ATOM 1592 CD2 PHE A 103 10.974 7.490 -17.111 1.00 23.13 C ATOM 1593 CE1 PHE A 103 12.614 8.570 -19.050 1.00 33.22 C ATOM 1594 CE2 PHE A 103 12.145 6.845 -17.462 1.00 71.23 C ATOM 1595 CZ PHE A 103 12.965 7.385 -18.434 1.00 30.31 C ATOM 0 H PHE A 103 9.204 11.851 -17.414 1.00 62.32 H new ATOM 0 HA PHE A 103 8.732 9.937 -15.351 1.00 61.03 H new ATOM 0 HB2 PHE A 103 8.560 8.635 -17.169 1.00 30.23 H new ATOM 0 HB3 PHE A 103 9.010 10.001 -18.169 1.00 30.23 H new ATOM 0 HD1 PHE A 103 11.171 10.137 -19.180 1.00 30.33 H new ATOM 0 HD2 PHE A 103 10.336 7.062 -16.352 1.00 23.13 H new ATOM 0 HE1 PHE A 103 13.254 8.995 -19.809 1.00 33.22 H new ATOM 0 HE2 PHE A 103 12.419 5.920 -16.977 1.00 71.23 H new ATOM 0 HZ PHE A 103 13.879 6.881 -18.712 1.00 30.31 H new ATOM 1605 N LEU A 104 11.762 10.998 -15.796 1.00 24.41 N ATOM 1606 CA LEU A 104 13.127 10.945 -15.282 1.00 52.31 C ATOM 1607 C LEU A 104 13.169 11.333 -13.808 1.00 14.34 C ATOM 1608 O LEU A 104 14.205 11.217 -13.152 1.00 50.24 O ATOM 1609 CB LEU A 104 14.033 11.874 -16.092 1.00 5.04 C ATOM 1610 CG LEU A 104 14.071 13.335 -15.641 1.00 63.15 C ATOM 1611 CD1 LEU A 104 15.150 13.542 -14.590 1.00 65.31 C ATOM 1612 CD2 LEU A 104 14.301 14.254 -16.832 1.00 41.13 C ATOM 0 H LEU A 104 11.572 11.793 -16.406 1.00 24.41 H new ATOM 0 HA LEU A 104 13.487 9.921 -15.379 1.00 52.31 H new ATOM 0 HB2 LEU A 104 15.048 11.478 -16.059 1.00 5.04 H new ATOM 0 HB3 LEU A 104 13.712 11.844 -17.133 1.00 5.04 H new ATOM 0 HG LEU A 104 13.107 13.583 -15.196 1.00 63.15 H new ATOM 0 HD11 LEU A 104 15.162 14.587 -14.282 1.00 65.31 H new ATOM 0 HD12 LEU A 104 14.942 12.911 -13.726 1.00 65.31 H new ATOM 0 HD13 LEU A 104 16.121 13.276 -15.008 1.00 65.31 H new ATOM 0 HD21 LEU A 104 14.325 15.290 -16.493 1.00 41.13 H new ATOM 0 HD22 LEU A 104 15.251 14.005 -17.306 1.00 41.13 H new ATOM 0 HD23 LEU A 104 13.492 14.127 -17.551 1.00 41.13 H new ATOM 1624 N THR A 105 12.034 11.793 -13.289 1.00 51.24 N ATOM 1625 CA THR A 105 11.940 12.197 -11.892 1.00 42.23 C ATOM 1626 C THR A 105 10.819 11.451 -11.178 1.00 53.43 C ATOM 1627 O THR A 105 10.623 11.612 -9.973 1.00 73.35 O ATOM 1628 CB THR A 105 11.698 13.713 -11.761 1.00 25.22 C ATOM 1629 OG1 THR A 105 12.127 14.382 -12.952 1.00 1.43 O ATOM 1630 CG2 THR A 105 12.442 14.277 -10.560 1.00 4.31 C ATOM 0 H THR A 105 11.167 11.895 -13.816 1.00 51.24 H new ATOM 0 HA THR A 105 12.893 11.947 -11.426 1.00 42.23 H new ATOM 0 HB THR A 105 10.630 13.878 -11.617 1.00 25.22 H new ATOM 0 HG1 THR A 105 12.570 15.223 -12.713 1.00 1.43 H new ATOM 0 HG21 THR A 105 12.256 15.349 -10.487 1.00 4.31 H new ATOM 0 HG22 THR A 105 12.092 13.786 -9.652 1.00 4.31 H new ATOM 0 HG23 THR A 105 13.511 14.101 -10.679 1.00 4.31 H new ATOM 1638 N ARG A 106 10.086 10.636 -11.929 1.00 34.54 N ATOM 1639 CA ARG A 106 8.983 9.865 -11.367 1.00 12.14 C ATOM 1640 C ARG A 106 8.053 10.761 -10.553 1.00 71.33 C ATOM 1641 O ARG A 106 8.137 11.987 -10.625 1.00 74.20 O ATOM 1642 CB ARG A 106 9.519 8.735 -10.486 1.00 30.01 C ATOM 1643 CG ARG A 106 9.080 7.351 -10.937 1.00 4.24 C ATOM 1644 CD ARG A 106 9.953 6.265 -10.328 1.00 35.55 C ATOM 1645 NE ARG A 106 9.725 6.121 -8.892 1.00 61.51 N ATOM 1646 CZ ARG A 106 10.575 5.514 -8.071 1.00 11.45 C ATOM 1647 NH1 ARG A 106 11.703 4.999 -8.540 1.00 53.11 N ATOM 1648 NH2 ARG A 106 10.297 5.423 -6.776 1.00 44.22 N ATOM 0 H ARG A 106 10.236 10.492 -12.928 1.00 34.54 H new ATOM 0 HA ARG A 106 8.416 9.435 -12.192 1.00 12.14 H new ATOM 0 HB2 ARG A 106 10.608 8.777 -10.478 1.00 30.01 H new ATOM 0 HB3 ARG A 106 9.187 8.896 -9.461 1.00 30.01 H new ATOM 0 HG2 ARG A 106 8.041 7.187 -10.652 1.00 4.24 H new ATOM 0 HG3 ARG A 106 9.126 7.290 -12.024 1.00 4.24 H new ATOM 0 HD2 ARG A 106 9.750 5.316 -10.824 1.00 35.55 H new ATOM 0 HD3 ARG A 106 11.002 6.500 -10.507 1.00 35.55 H new ATOM 0 HE ARG A 106 8.867 6.507 -8.499 1.00 61.51 H new ATOM 0 HH11 ARG A 106 11.921 5.068 -9.534 1.00 53.11 H new ATOM 0 HH12 ARG A 106 12.353 4.534 -7.907 1.00 53.11 H new ATOM 0 HH21 ARG A 106 9.431 5.819 -6.411 1.00 44.22 H new ATOM 0 HH22 ARG A 106 10.950 4.957 -6.146 1.00 44.22 H new TER 1662 ARG A 106