USER MOD reduce.3.24.130724 H: found=0, std=0, add=311, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 306 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 Single : A 1 ASP N :NH3+ -134:sc= 0.202 (180deg=-1.01) USER MOD Single : A 6 HIS : no HE2:sc= 0.113 K(o=0.11,f=-0.44) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= -0.487 USER MOD Single : A 13 HIS : no HD1:sc= -0.119 X(o=-0.12,f=-0.0062) USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 15 GLN :FLIP amide:sc= -2.03 F(o=-3.1,f=-2) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.0871 K(o=-0.087,f=-2.1!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl -173:sc= 0 (180deg=-0.0359) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -1.634 3.595 -1.230 1.00 15.30 N ATOM 2 CA ASP A 1 -0.223 3.286 -1.424 1.00 63.22 C ATOM 3 C ASP A 1 0.158 2.003 -0.691 1.00 44.41 C ATOM 4 O ASP A 1 1.080 1.296 -1.096 1.00 4.02 O ATOM 5 CB ASP A 1 0.647 4.445 -0.936 1.00 24.02 C ATOM 6 CG ASP A 1 1.322 5.183 -2.076 1.00 22.54 C ATOM 7 OD1 ASP A 1 2.556 5.049 -2.221 1.00 54.23 O ATOM 8 OD2 ASP A 1 0.617 5.892 -2.822 1.00 50.44 O ATOM 0 H1 ASP A 1 -2.062 3.850 -2.143 1.00 15.30 H new ATOM 0 H2 ASP A 1 -2.121 2.763 -0.840 1.00 15.30 H new ATOM 0 H3 ASP A 1 -1.727 4.392 -0.569 1.00 15.30 H new ATOM 0 HA ASP A 1 -0.052 3.138 -2.490 1.00 63.22 H new ATOM 0 HB2 ASP A 1 0.032 5.143 -0.369 1.00 24.02 H new ATOM 0 HB3 ASP A 1 1.407 4.063 -0.254 1.00 24.02 H new ATOM 13 N ALA A 2 -0.557 1.711 0.390 1.00 11.11 N ATOM 14 CA ALA A 2 -0.295 0.514 1.179 1.00 23.11 C ATOM 15 C ALA A 2 -1.412 -0.510 1.011 1.00 31.13 C ATOM 16 O ALA A 2 -1.694 -1.288 1.922 1.00 75.23 O ATOM 17 CB ALA A 2 -0.124 0.876 2.647 1.00 52.10 C ATOM 0 H ALA A 2 -1.323 2.287 0.740 1.00 11.11 H new ATOM 0 HA ALA A 2 0.630 0.066 0.817 1.00 23.11 H new ATOM 0 HB1 ALA A 2 0.071 -0.028 3.224 1.00 52.10 H new ATOM 0 HB2 ALA A 2 0.714 1.565 2.757 1.00 52.10 H new ATOM 0 HB3 ALA A 2 -1.034 1.351 3.013 1.00 52.10 H new ATOM 23 N GLU A 3 -2.045 -0.503 -0.158 1.00 45.01 N ATOM 24 CA GLU A 3 -3.132 -1.431 -0.443 1.00 75.10 C ATOM 25 C GLU A 3 -2.598 -2.729 -1.041 1.00 24.44 C ATOM 26 O GLU A 3 -2.874 -3.818 -0.537 1.00 32.14 O ATOM 27 CB GLU A 3 -4.139 -0.792 -1.402 1.00 34.41 C ATOM 28 CG GLU A 3 -4.951 0.329 -0.774 1.00 64.24 C ATOM 29 CD GLU A 3 -4.259 1.675 -0.873 1.00 31.35 C ATOM 30 OE1 GLU A 3 -4.465 2.374 -1.886 1.00 53.34 O ATOM 31 OE2 GLU A 3 -3.512 2.028 0.063 1.00 11.34 O ATOM 0 H GLU A 3 -1.823 0.135 -0.922 1.00 45.01 H new ATOM 0 HA GLU A 3 -3.632 -1.663 0.497 1.00 75.10 H new ATOM 0 HB2 GLU A 3 -3.605 -0.401 -2.268 1.00 34.41 H new ATOM 0 HB3 GLU A 3 -4.819 -1.562 -1.767 1.00 34.41 H new ATOM 0 HG2 GLU A 3 -5.923 0.387 -1.264 1.00 64.24 H new ATOM 0 HG3 GLU A 3 -5.136 0.096 0.275 1.00 64.24 H new ATOM 38 N PHE A 4 -1.830 -2.606 -2.119 1.00 15.34 N ATOM 39 CA PHE A 4 -1.258 -3.768 -2.787 1.00 24.42 C ATOM 40 C PHE A 4 -0.233 -4.460 -1.892 1.00 41.31 C ATOM 41 O PHE A 4 -0.265 -5.678 -1.720 1.00 34.33 O ATOM 42 CB PHE A 4 -0.602 -3.354 -4.106 1.00 13.32 C ATOM 43 CG PHE A 4 -0.804 -4.347 -5.214 1.00 33.31 C ATOM 44 CD1 PHE A 4 -2.073 -4.608 -5.706 1.00 40.42 C ATOM 45 CD2 PHE A 4 0.275 -5.022 -5.763 1.00 14.52 C ATOM 46 CE1 PHE A 4 -2.262 -5.521 -6.726 1.00 74.11 C ATOM 47 CE2 PHE A 4 0.091 -5.936 -6.783 1.00 44.31 C ATOM 48 CZ PHE A 4 -1.179 -6.187 -7.264 1.00 44.34 C ATOM 0 H PHE A 4 -1.590 -1.712 -2.548 1.00 15.34 H new ATOM 0 HA PHE A 4 -2.066 -4.470 -2.996 1.00 24.42 H new ATOM 0 HB2 PHE A 4 -1.005 -2.390 -4.416 1.00 13.32 H new ATOM 0 HB3 PHE A 4 0.467 -3.216 -3.943 1.00 13.32 H new ATOM 0 HD1 PHE A 4 -2.924 -4.092 -5.287 1.00 40.42 H new ATOM 0 HD2 PHE A 4 1.270 -4.832 -5.390 1.00 14.52 H new ATOM 0 HE1 PHE A 4 -3.256 -5.713 -7.102 1.00 74.11 H new ATOM 0 HE2 PHE A 4 0.940 -6.454 -7.204 1.00 44.31 H new ATOM 0 HZ PHE A 4 -1.325 -6.903 -8.059 1.00 44.34 H new ATOM 58 N ARG A 5 0.676 -3.673 -1.326 1.00 0.41 N ATOM 59 CA ARG A 5 1.712 -4.208 -0.451 1.00 34.25 C ATOM 60 C ARG A 5 1.094 -4.925 0.747 1.00 63.13 C ATOM 61 O ARG A 5 1.738 -5.760 1.383 1.00 73.40 O ATOM 62 CB ARG A 5 2.632 -3.086 0.033 1.00 53.55 C ATOM 63 CG ARG A 5 3.871 -2.901 -0.828 1.00 53.42 C ATOM 64 CD ARG A 5 3.505 -2.557 -2.264 1.00 24.31 C ATOM 65 NE ARG A 5 3.386 -3.750 -3.099 1.00 3.25 N ATOM 66 CZ ARG A 5 4.427 -4.466 -3.510 1.00 53.43 C ATOM 67 NH1 ARG A 5 5.657 -4.112 -3.166 1.00 2.50 N ATOM 68 NH2 ARG A 5 4.237 -5.539 -4.268 1.00 4.53 N ATOM 0 H ARG A 5 0.716 -2.662 -1.458 1.00 0.41 H new ATOM 0 HA ARG A 5 2.298 -4.928 -1.022 1.00 34.25 H new ATOM 0 HB2 ARG A 5 2.071 -2.151 0.054 1.00 53.55 H new ATOM 0 HB3 ARG A 5 2.940 -3.296 1.057 1.00 53.55 H new ATOM 0 HG2 ARG A 5 4.491 -2.108 -0.410 1.00 53.42 H new ATOM 0 HG3 ARG A 5 4.466 -3.814 -0.812 1.00 53.42 H new ATOM 0 HD2 ARG A 5 2.562 -2.010 -2.277 1.00 24.31 H new ATOM 0 HD3 ARG A 5 4.263 -1.895 -2.683 1.00 24.31 H new ATOM 0 HE ARG A 5 2.453 -4.050 -3.382 1.00 3.25 H new ATOM 0 HH11 ARG A 5 5.807 -3.288 -2.584 1.00 2.50 H new ATOM 0 HH12 ARG A 5 6.454 -4.664 -3.483 1.00 2.50 H new ATOM 0 HH21 ARG A 5 3.292 -5.814 -4.535 1.00 4.53 H new ATOM 0 HH22 ARG A 5 5.036 -6.089 -4.583 1.00 4.53 H new ATOM 82 N HIS A 6 -0.157 -4.593 1.048 1.00 1.34 N ATOM 83 CA HIS A 6 -0.861 -5.205 2.169 1.00 14.33 C ATOM 84 C HIS A 6 -0.907 -6.722 2.019 1.00 73.32 C ATOM 85 O HIS A 6 -0.250 -7.450 2.763 1.00 0.35 O ATOM 86 CB HIS A 6 -2.282 -4.648 2.272 1.00 44.41 C ATOM 87 CG HIS A 6 -2.701 -4.331 3.674 1.00 31.45 C ATOM 88 ND1 HIS A 6 -2.966 -3.050 4.110 1.00 21.21 N ATOM 89 CD2 HIS A 6 -2.903 -5.139 4.742 1.00 60.34 C ATOM 90 CE1 HIS A 6 -3.311 -3.083 5.385 1.00 63.51 C ATOM 91 NE2 HIS A 6 -3.281 -4.340 5.792 1.00 1.40 N ATOM 0 H HIS A 6 -0.704 -3.904 0.532 1.00 1.34 H new ATOM 0 HA HIS A 6 -0.317 -4.964 3.082 1.00 14.33 H new ATOM 0 HB2 HIS A 6 -2.354 -3.744 1.667 1.00 44.41 H new ATOM 0 HB3 HIS A 6 -2.979 -5.371 1.848 1.00 44.41 H new ATOM 0 HD1 HIS A 6 -2.905 -2.208 3.537 1.00 21.21 H new ATOM 0 HD2 HIS A 6 -2.788 -6.213 4.763 1.00 60.34 H new ATOM 0 HE1 HIS A 6 -3.573 -2.228 5.991 1.00 63.51 H new ATOM 99 N ASP A 7 -1.688 -7.193 1.052 1.00 4.32 N ATOM 100 CA ASP A 7 -1.819 -8.624 0.804 1.00 51.31 C ATOM 101 C ASP A 7 -2.621 -9.296 1.914 1.00 63.42 C ATOM 102 O ASP A 7 -3.756 -9.724 1.702 1.00 45.40 O ATOM 103 CB ASP A 7 -0.439 -9.272 0.690 1.00 65.11 C ATOM 104 CG ASP A 7 -0.480 -10.596 -0.048 1.00 2.21 C ATOM 105 OD1 ASP A 7 0.100 -10.679 -1.151 1.00 24.01 O ATOM 106 OD2 ASP A 7 -1.091 -11.549 0.478 1.00 54.10 O ATOM 0 H ASP A 7 -2.240 -6.605 0.428 1.00 4.32 H new ATOM 0 HA ASP A 7 -2.353 -8.758 -0.137 1.00 51.31 H new ATOM 0 HB2 ASP A 7 0.237 -8.592 0.172 1.00 65.11 H new ATOM 0 HB3 ASP A 7 -0.031 -9.428 1.688 1.00 65.11 H new ATOM 111 N SER A 8 -2.022 -9.388 3.097 1.00 11.00 N ATOM 112 CA SER A 8 -2.678 -10.013 4.239 1.00 33.33 C ATOM 113 C SER A 8 -3.784 -9.117 4.789 1.00 45.52 C ATOM 114 O SER A 8 -3.604 -8.441 5.801 1.00 14.21 O ATOM 115 CB SER A 8 -1.658 -10.315 5.338 1.00 24.52 C ATOM 116 OG SER A 8 -2.282 -10.904 6.466 1.00 2.53 O ATOM 0 H SER A 8 -1.084 -9.038 3.289 1.00 11.00 H new ATOM 0 HA SER A 8 -3.126 -10.948 3.901 1.00 33.33 H new ATOM 0 HB2 SER A 8 -0.891 -10.986 4.952 1.00 24.52 H new ATOM 0 HB3 SER A 8 -1.156 -9.394 5.636 1.00 24.52 H new ATOM 0 HG SER A 8 -1.608 -11.089 7.153 1.00 2.53 H new ATOM 122 N GLY A 9 -4.928 -9.116 4.112 1.00 32.31 N ATOM 123 CA GLY A 9 -6.046 -8.299 4.546 1.00 34.53 C ATOM 124 C GLY A 9 -6.676 -7.525 3.406 1.00 41.24 C ATOM 125 O GLY A 9 -7.879 -7.263 3.413 1.00 70.31 O ATOM 0 H GLY A 9 -5.101 -9.666 3.271 1.00 32.31 H new ATOM 0 HA2 GLY A 9 -6.800 -8.936 5.008 1.00 34.53 H new ATOM 0 HA3 GLY A 9 -5.706 -7.601 5.311 1.00 34.53 H new ATOM 129 N TYR A 10 -5.862 -7.155 2.423 1.00 25.14 N ATOM 130 CA TYR A 10 -6.345 -6.402 1.272 1.00 1.25 C ATOM 131 C TYR A 10 -6.514 -7.310 0.059 1.00 74.53 C ATOM 132 O TYR A 10 -7.267 -6.998 -0.863 1.00 44.25 O ATOM 133 CB TYR A 10 -5.380 -5.263 0.940 1.00 44.20 C ATOM 134 CG TYR A 10 -6.046 -4.079 0.275 1.00 24.24 C ATOM 135 CD1 TYR A 10 -6.357 -4.103 -1.078 1.00 54.45 C ATOM 136 CD2 TYR A 10 -6.362 -2.937 1.001 1.00 72.32 C ATOM 137 CE1 TYR A 10 -6.965 -3.023 -1.690 1.00 73.33 C ATOM 138 CE2 TYR A 10 -6.971 -1.854 0.398 1.00 74.03 C ATOM 139 CZ TYR A 10 -7.271 -1.902 -0.948 1.00 3.31 C ATOM 140 OH TYR A 10 -7.876 -0.824 -1.553 1.00 33.14 O ATOM 0 H TYR A 10 -4.864 -7.365 2.401 1.00 25.14 H new ATOM 0 HA TYR A 10 -7.318 -5.982 1.527 1.00 1.25 H new ATOM 0 HB2 TYR A 10 -4.896 -4.929 1.858 1.00 44.20 H new ATOM 0 HB3 TYR A 10 -4.595 -5.642 0.286 1.00 44.20 H new ATOM 0 HD1 TYR A 10 -6.120 -4.980 -1.662 1.00 54.45 H new ATOM 0 HD2 TYR A 10 -6.127 -2.896 2.054 1.00 72.32 H new ATOM 0 HE1 TYR A 10 -7.199 -3.057 -2.744 1.00 73.33 H new ATOM 0 HE2 TYR A 10 -7.211 -0.974 0.977 1.00 74.03 H new ATOM 0 HH TYR A 10 -8.024 -0.117 -0.890 1.00 33.14 H new ATOM 150 N GLU A 11 -5.809 -8.437 0.068 1.00 30.32 N ATOM 151 CA GLU A 11 -5.881 -9.392 -1.032 1.00 1.13 C ATOM 152 C GLU A 11 -6.894 -10.493 -0.731 1.00 63.11 C ATOM 153 O GLU A 11 -6.942 -11.513 -1.419 1.00 43.44 O ATOM 154 CB GLU A 11 -4.505 -10.007 -1.293 1.00 65.30 C ATOM 155 CG GLU A 11 -4.431 -10.809 -2.582 1.00 30.25 C ATOM 156 CD GLU A 11 -3.200 -10.480 -3.404 1.00 74.11 C ATOM 157 OE1 GLU A 11 -2.607 -11.415 -3.982 1.00 4.41 O ATOM 158 OE2 GLU A 11 -2.831 -9.289 -3.470 1.00 72.20 O ATOM 0 H GLU A 11 -5.182 -8.711 0.824 1.00 30.32 H new ATOM 0 HA GLU A 11 -6.207 -8.857 -1.924 1.00 1.13 H new ATOM 0 HB2 GLU A 11 -3.761 -9.211 -1.327 1.00 65.30 H new ATOM 0 HB3 GLU A 11 -4.241 -10.654 -0.457 1.00 65.30 H new ATOM 0 HG2 GLU A 11 -4.431 -11.873 -2.344 1.00 30.25 H new ATOM 0 HG3 GLU A 11 -5.323 -10.616 -3.178 1.00 30.25 H new ATOM 165 N VAL A 12 -7.702 -10.280 0.303 1.00 43.34 N ATOM 166 CA VAL A 12 -8.714 -11.253 0.695 1.00 11.32 C ATOM 167 C VAL A 12 -10.090 -10.856 0.172 1.00 42.23 C ATOM 168 O VAL A 12 -10.205 -10.147 -0.829 1.00 23.31 O ATOM 169 CB VAL A 12 -8.783 -11.404 2.226 1.00 15.24 C ATOM 170 CG1 VAL A 12 -8.995 -12.860 2.610 1.00 25.44 C ATOM 171 CG2 VAL A 12 -7.523 -10.850 2.874 1.00 61.54 C ATOM 0 H VAL A 12 -7.675 -9.442 0.884 1.00 43.34 H new ATOM 0 HA VAL A 12 -8.423 -12.207 0.256 1.00 11.32 H new ATOM 0 HB VAL A 12 -9.634 -10.830 2.592 1.00 15.24 H new ATOM 0 HG11 VAL A 12 -9.041 -12.947 3.696 1.00 25.44 H new ATOM 0 HG12 VAL A 12 -9.929 -13.218 2.177 1.00 25.44 H new ATOM 0 HG13 VAL A 12 -8.167 -13.460 2.233 1.00 25.44 H new ATOM 0 HG21 VAL A 12 -7.589 -10.965 3.956 1.00 61.54 H new ATOM 0 HG22 VAL A 12 -6.654 -11.394 2.504 1.00 61.54 H new ATOM 0 HG23 VAL A 12 -7.421 -9.793 2.627 1.00 61.54 H new ATOM 181 N HIS A 13 -11.133 -11.317 0.855 1.00 4.33 N ATOM 182 CA HIS A 13 -12.502 -11.009 0.460 1.00 54.21 C ATOM 183 C HIS A 13 -12.664 -9.518 0.177 1.00 33.34 C ATOM 184 O HIS A 13 -13.541 -9.112 -0.586 1.00 71.32 O ATOM 185 CB HIS A 13 -13.481 -11.442 1.552 1.00 5.13 C ATOM 186 CG HIS A 13 -14.502 -10.400 1.889 1.00 0.34 C ATOM 187 ND1 HIS A 13 -15.743 -10.342 1.292 1.00 15.22 N ATOM 188 CD2 HIS A 13 -14.461 -9.372 2.769 1.00 0.21 C ATOM 189 CE1 HIS A 13 -16.421 -9.322 1.789 1.00 73.43 C ATOM 190 NE2 HIS A 13 -15.666 -8.718 2.687 1.00 4.44 N ATOM 0 H HIS A 13 -11.056 -11.905 1.685 1.00 4.33 H new ATOM 0 HA HIS A 13 -12.722 -11.560 -0.454 1.00 54.21 H new ATOM 0 HB2 HIS A 13 -13.992 -12.349 1.231 1.00 5.13 H new ATOM 0 HB3 HIS A 13 -12.920 -11.694 2.452 1.00 5.13 H new ATOM 0 HD2 HIS A 13 -13.635 -9.114 3.415 1.00 0.21 H new ATOM 0 HE1 HIS A 13 -17.423 -9.032 1.508 1.00 73.43 H new ATOM 0 HE2 HIS A 13 -15.934 -7.898 3.232 1.00 4.44 H new ATOM 198 N HIS A 14 -11.814 -8.707 0.799 1.00 61.23 N ATOM 199 CA HIS A 14 -11.863 -7.261 0.614 1.00 30.21 C ATOM 200 C HIS A 14 -12.085 -6.908 -0.854 1.00 20.24 C ATOM 201 O HIS A 14 -12.799 -5.957 -1.171 1.00 22.30 O ATOM 202 CB HIS A 14 -10.570 -6.618 1.116 1.00 40.44 C ATOM 203 CG HIS A 14 -10.788 -5.338 1.862 1.00 14.32 C ATOM 204 ND1 HIS A 14 -10.972 -4.123 1.236 1.00 2.00 N ATOM 205 CD2 HIS A 14 -10.854 -5.088 3.191 1.00 60.11 C ATOM 206 CE1 HIS A 14 -11.139 -3.181 2.147 1.00 20.22 C ATOM 207 NE2 HIS A 14 -11.072 -3.741 3.342 1.00 53.32 N ATOM 0 H HIS A 14 -11.083 -9.026 1.435 1.00 61.23 H new ATOM 0 HA HIS A 14 -12.701 -6.873 1.193 1.00 30.21 H new ATOM 0 HB2 HIS A 14 -10.051 -7.323 1.765 1.00 40.44 H new ATOM 0 HB3 HIS A 14 -9.915 -6.426 0.266 1.00 40.44 H new ATOM 0 HD2 HIS A 14 -10.754 -5.813 3.985 1.00 60.11 H new ATOM 0 HE1 HIS A 14 -11.302 -2.132 1.949 1.00 20.22 H new ATOM 0 HE2 HIS A 14 -11.167 -3.252 4.232 1.00 53.32 H new ATOM 215 N GLN A 15 -11.468 -7.680 -1.743 1.00 11.23 N ATOM 216 CA GLN A 15 -11.598 -7.447 -3.176 1.00 42.42 C ATOM 217 C GLN A 15 -11.812 -8.759 -3.924 1.00 4.41 C ATOM 218 O GLN A 15 -11.282 -9.800 -3.536 1.00 61.22 O ATOM 219 CB GLN A 15 -10.354 -6.737 -3.713 1.00 41.43 C ATOM 220 CG GLN A 15 -9.049 -7.336 -3.215 1.00 44.42 C ATOM 221 CD GLN A 15 -8.745 -8.680 -3.846 1.00 34.41 C ATOM 222 OE1 GLN A 15 -8.601 -9.706 -3.014 1.00 42.14 O flip ATOM 223 NE2 GLN A 15 -8.642 -8.797 -5.067 1.00 52.44 N flip ATOM 0 H GLN A 15 -10.874 -8.471 -1.496 1.00 11.23 H new ATOM 0 HA GLN A 15 -12.469 -6.812 -3.338 1.00 42.42 H new ATOM 0 HB2 GLN A 15 -10.368 -6.772 -4.802 1.00 41.43 H new ATOM 0 HB3 GLN A 15 -10.394 -5.686 -3.427 1.00 41.43 H new ATOM 0 HG2 GLN A 15 -8.232 -6.646 -3.428 1.00 44.42 H new ATOM 0 HG3 GLN A 15 -9.096 -7.450 -2.132 1.00 44.42 H new ATOM 0 HE21 GLN A 15 -8.760 -7.982 -5.669 1.00 52.44 H new ATOM 0 HE22 GLN A 15 -8.438 -9.709 -5.477 1.00 52.44 H new ATOM 232 N LYS A 16 -12.592 -8.701 -4.998 1.00 65.21 N ATOM 233 CA LYS A 16 -12.876 -9.884 -5.802 1.00 23.01 C ATOM 234 C LYS A 16 -13.853 -9.556 -6.926 1.00 35.12 C ATOM 235 O LYS A 16 -13.834 -10.187 -7.983 1.00 62.15 O ATOM 236 CB LYS A 16 -13.448 -10.998 -4.923 1.00 21.14 C ATOM 237 CG LYS A 16 -14.098 -12.122 -5.711 1.00 13.21 C ATOM 238 CD LYS A 16 -14.509 -13.272 -4.807 1.00 13.10 C ATOM 239 CE LYS A 16 -15.969 -13.163 -4.395 1.00 55.04 C ATOM 240 NZ LYS A 16 -16.443 -14.392 -3.701 1.00 31.11 N ATOM 0 H LYS A 16 -13.039 -7.847 -5.332 1.00 65.21 H new ATOM 0 HA LYS A 16 -11.940 -10.224 -6.246 1.00 23.01 H new ATOM 0 HB2 LYS A 16 -12.648 -11.412 -4.309 1.00 21.14 H new ATOM 0 HB3 LYS A 16 -14.184 -10.570 -4.242 1.00 21.14 H new ATOM 0 HG2 LYS A 16 -14.973 -11.740 -6.236 1.00 13.21 H new ATOM 0 HG3 LYS A 16 -13.404 -12.484 -6.469 1.00 13.21 H new ATOM 0 HD2 LYS A 16 -14.345 -14.218 -5.323 1.00 13.10 H new ATOM 0 HD3 LYS A 16 -13.879 -13.280 -3.918 1.00 13.10 H new ATOM 0 HE2 LYS A 16 -16.098 -12.303 -3.738 1.00 55.04 H new ATOM 0 HE3 LYS A 16 -16.583 -12.985 -5.278 1.00 55.04 H new ATOM 0 HZ1 LYS A 16 -17.442 -14.278 -3.437 1.00 31.11 H new ATOM 0 HZ2 LYS A 16 -16.344 -15.209 -4.336 1.00 31.11 H new ATOM 0 HZ3 LYS A 16 -15.874 -14.548 -2.845 1.00 31.11 H new ATOM 254 N LEU A 17 -14.707 -8.565 -6.691 1.00 64.20 N ATOM 255 CA LEU A 17 -15.692 -8.152 -7.685 1.00 25.13 C ATOM 256 C LEU A 17 -15.423 -6.727 -8.158 1.00 20.11 C ATOM 257 O LEU A 17 -15.861 -6.327 -9.237 1.00 23.13 O ATOM 258 CB LEU A 17 -17.103 -8.251 -7.104 1.00 73.31 C ATOM 259 CG LEU A 17 -17.258 -7.835 -5.641 1.00 30.31 C ATOM 260 CD1 LEU A 17 -18.540 -7.041 -5.444 1.00 71.25 C ATOM 261 CD2 LEU A 17 -17.241 -9.057 -4.734 1.00 73.43 C ATOM 0 H LEU A 17 -14.737 -8.033 -5.821 1.00 64.20 H new ATOM 0 HA LEU A 17 -15.611 -8.821 -8.542 1.00 25.13 H new ATOM 0 HB2 LEU A 17 -17.767 -7.633 -7.709 1.00 73.31 H new ATOM 0 HB3 LEU A 17 -17.445 -9.281 -7.206 1.00 73.31 H new ATOM 0 HG LEU A 17 -16.415 -7.197 -5.374 1.00 30.31 H new ATOM 0 HD11 LEU A 17 -18.633 -6.754 -4.397 1.00 71.25 H new ATOM 0 HD12 LEU A 17 -18.512 -6.145 -6.065 1.00 71.25 H new ATOM 0 HD13 LEU A 17 -19.395 -7.654 -5.729 1.00 71.25 H new ATOM 0 HD21 LEU A 17 -17.352 -8.742 -3.697 1.00 73.43 H new ATOM 0 HD22 LEU A 17 -18.063 -9.720 -5.002 1.00 73.43 H new ATOM 0 HD23 LEU A 17 -16.295 -9.585 -4.853 1.00 73.43 H new ATOM 273 N VAL A 18 -14.698 -5.965 -7.344 1.00 74.53 N ATOM 274 CA VAL A 18 -14.368 -4.586 -7.681 1.00 11.21 C ATOM 275 C VAL A 18 -13.104 -4.515 -8.530 1.00 3.13 C ATOM 276 O VAL A 18 -12.603 -3.430 -8.827 1.00 24.30 O ATOM 277 CB VAL A 18 -14.172 -3.731 -6.415 1.00 0.21 C ATOM 278 CG1 VAL A 18 -12.864 -4.089 -5.726 1.00 0.31 C ATOM 279 CG2 VAL A 18 -14.214 -2.250 -6.761 1.00 32.02 C ATOM 0 H VAL A 18 -14.329 -6.280 -6.447 1.00 74.53 H new ATOM 0 HA VAL A 18 -15.208 -4.190 -8.252 1.00 11.21 H new ATOM 0 HB VAL A 18 -14.988 -3.943 -5.724 1.00 0.21 H new ATOM 0 HG11 VAL A 18 -12.743 -3.475 -4.834 1.00 0.31 H new ATOM 0 HG12 VAL A 18 -12.878 -5.141 -5.443 1.00 0.31 H new ATOM 0 HG13 VAL A 18 -12.032 -3.908 -6.407 1.00 0.31 H new ATOM 0 HG21 VAL A 18 -14.074 -1.661 -5.855 1.00 32.02 H new ATOM 0 HG22 VAL A 18 -13.419 -2.019 -7.470 1.00 32.02 H new ATOM 0 HG23 VAL A 18 -15.179 -2.008 -7.206 1.00 32.02 H new ATOM 289 N PHE A 19 -12.592 -5.678 -8.918 1.00 32.42 N ATOM 290 CA PHE A 19 -11.385 -5.749 -9.733 1.00 0.12 C ATOM 291 C PHE A 19 -11.732 -5.753 -11.219 1.00 24.42 C ATOM 292 O PHE A 19 -10.911 -6.125 -12.058 1.00 60.11 O ATOM 293 CB PHE A 19 -10.580 -7.002 -9.382 1.00 4.43 C ATOM 294 CG PHE A 19 -9.171 -6.974 -9.902 1.00 41.02 C ATOM 295 CD1 PHE A 19 -8.366 -5.864 -9.702 1.00 21.30 C ATOM 296 CD2 PHE A 19 -8.652 -8.058 -10.592 1.00 40.33 C ATOM 297 CE1 PHE A 19 -7.069 -5.836 -10.179 1.00 50.33 C ATOM 298 CE2 PHE A 19 -7.356 -8.035 -11.072 1.00 21.15 C ATOM 299 CZ PHE A 19 -6.564 -6.922 -10.866 1.00 22.31 C ATOM 0 H PHE A 19 -12.994 -6.585 -8.681 1.00 32.42 H new ATOM 0 HA PHE A 19 -10.781 -4.867 -9.521 1.00 0.12 H new ATOM 0 HB2 PHE A 19 -10.557 -7.118 -8.298 1.00 4.43 H new ATOM 0 HB3 PHE A 19 -11.090 -7.877 -9.785 1.00 4.43 H new ATOM 0 HD1 PHE A 19 -8.757 -5.011 -9.167 1.00 21.30 H new ATOM 0 HD2 PHE A 19 -9.267 -8.930 -10.757 1.00 40.33 H new ATOM 0 HE1 PHE A 19 -6.451 -4.966 -10.015 1.00 50.33 H new ATOM 0 HE2 PHE A 19 -6.963 -8.886 -11.608 1.00 21.15 H new ATOM 0 HZ PHE A 19 -5.552 -6.901 -11.242 1.00 22.31 H new ATOM 309 N PHE A 20 -12.953 -5.338 -11.537 1.00 33.15 N ATOM 310 CA PHE A 20 -13.410 -5.295 -12.921 1.00 33.24 C ATOM 311 C PHE A 20 -14.481 -4.224 -13.107 1.00 3.20 C ATOM 312 O PHE A 20 -15.243 -4.255 -14.072 1.00 53.53 O ATOM 313 CB PHE A 20 -13.960 -6.660 -13.341 1.00 11.11 C ATOM 314 CG PHE A 20 -13.982 -6.865 -14.829 1.00 15.23 C ATOM 315 CD1 PHE A 20 -15.160 -7.199 -15.478 1.00 11.42 C ATOM 316 CD2 PHE A 20 -12.826 -6.724 -15.578 1.00 65.01 C ATOM 317 CE1 PHE A 20 -15.184 -7.388 -16.847 1.00 13.42 C ATOM 318 CE2 PHE A 20 -12.844 -6.911 -16.947 1.00 64.23 C ATOM 319 CZ PHE A 20 -14.024 -7.245 -17.582 1.00 51.43 C ATOM 0 H PHE A 20 -13.644 -5.026 -10.855 1.00 33.15 H new ATOM 0 HA PHE A 20 -12.557 -5.045 -13.552 1.00 33.24 H new ATOM 0 HB2 PHE A 20 -13.355 -7.443 -12.883 1.00 11.11 H new ATOM 0 HB3 PHE A 20 -14.972 -6.770 -12.952 1.00 11.11 H new ATOM 0 HD1 PHE A 20 -16.070 -7.313 -14.907 1.00 11.42 H new ATOM 0 HD2 PHE A 20 -11.900 -6.465 -15.087 1.00 65.01 H new ATOM 0 HE1 PHE A 20 -16.109 -7.647 -17.341 1.00 13.42 H new ATOM 0 HE2 PHE A 20 -11.936 -6.796 -17.520 1.00 64.23 H new ATOM 0 HZ PHE A 20 -14.039 -7.394 -18.652 1.00 51.43 H new ATOM 329 N ALA A 21 -14.531 -3.278 -12.175 1.00 42.41 N ATOM 330 CA ALA A 21 -15.506 -2.196 -12.237 1.00 3.25 C ATOM 331 C ALA A 21 -14.815 -0.838 -12.312 1.00 74.20 C ATOM 332 O ALA A 21 -15.349 0.107 -12.891 1.00 45.53 O ATOM 333 CB ALA A 21 -16.433 -2.252 -11.032 1.00 32.13 C ATOM 0 H ALA A 21 -13.908 -3.239 -11.368 1.00 42.41 H new ATOM 0 HA ALA A 21 -16.097 -2.324 -13.144 1.00 3.25 H new ATOM 0 HB1 ALA A 21 -17.156 -1.438 -11.091 1.00 32.13 H new ATOM 0 HB2 ALA A 21 -16.960 -3.206 -11.023 1.00 32.13 H new ATOM 0 HB3 ALA A 21 -15.848 -2.152 -10.118 1.00 32.13 H new ATOM 339 N GLU A 22 -13.627 -0.750 -11.722 1.00 52.12 N ATOM 340 CA GLU A 22 -12.866 0.494 -11.722 1.00 63.43 C ATOM 341 C GLU A 22 -12.123 0.677 -13.043 1.00 23.44 C ATOM 342 O GLU A 22 -10.898 0.805 -13.066 1.00 35.53 O ATOM 343 CB GLU A 22 -11.872 0.509 -10.559 1.00 1.01 C ATOM 344 CG GLU A 22 -11.609 1.898 -10.002 1.00 22.25 C ATOM 345 CD GLU A 22 -11.383 2.930 -11.089 1.00 74.13 C ATOM 346 OE1 GLU A 22 -10.209 3.260 -11.359 1.00 14.11 O ATOM 347 OE2 GLU A 22 -12.380 3.408 -11.671 1.00 21.54 O ATOM 0 H GLU A 22 -13.171 -1.524 -11.239 1.00 52.12 H new ATOM 0 HA GLU A 22 -13.567 1.320 -11.602 1.00 63.43 H new ATOM 0 HB2 GLU A 22 -12.251 -0.128 -9.760 1.00 1.01 H new ATOM 0 HB3 GLU A 22 -10.929 0.076 -10.892 1.00 1.01 H new ATOM 0 HG2 GLU A 22 -12.454 2.204 -9.386 1.00 22.25 H new ATOM 0 HG3 GLU A 22 -10.736 1.865 -9.351 1.00 22.25 H new ATOM 354 N ASP A 23 -12.872 0.687 -14.139 1.00 50.25 N ATOM 355 CA ASP A 23 -12.286 0.855 -15.464 1.00 62.22 C ATOM 356 C ASP A 23 -13.371 0.917 -16.535 1.00 21.53 C ATOM 357 O ASP A 23 -13.268 1.681 -17.495 1.00 31.45 O ATOM 358 CB ASP A 23 -11.319 -0.291 -15.766 1.00 62.01 C ATOM 359 CG ASP A 23 -10.772 -0.230 -17.179 1.00 74.50 C ATOM 360 OD1 ASP A 23 -10.107 0.772 -17.516 1.00 31.52 O ATOM 361 OD2 ASP A 23 -11.009 -1.185 -17.948 1.00 34.43 O ATOM 0 H ASP A 23 -13.886 0.581 -14.137 1.00 50.25 H new ATOM 0 HA ASP A 23 -11.737 1.796 -15.474 1.00 62.22 H new ATOM 0 HB2 ASP A 23 -10.491 -0.260 -15.057 1.00 62.01 H new ATOM 0 HB3 ASP A 23 -11.830 -1.242 -15.618 1.00 62.01 H new ATOM 366 N VAL A 24 -14.411 0.106 -16.364 1.00 24.02 N ATOM 367 CA VAL A 24 -15.515 0.068 -17.315 1.00 0.20 C ATOM 368 C VAL A 24 -16.079 1.464 -17.558 1.00 61.40 C ATOM 369 O VAL A 24 -16.595 1.757 -18.636 1.00 3.13 O ATOM 370 CB VAL A 24 -16.648 -0.853 -16.824 1.00 5.13 C ATOM 371 CG1 VAL A 24 -17.736 -0.971 -17.880 1.00 10.24 C ATOM 372 CG2 VAL A 24 -16.098 -2.223 -16.457 1.00 71.22 C ATOM 0 H VAL A 24 -14.511 -0.533 -15.576 1.00 24.02 H new ATOM 0 HA VAL A 24 -15.115 -0.327 -18.249 1.00 0.20 H new ATOM 0 HB VAL A 24 -17.090 -0.413 -15.930 1.00 5.13 H new ATOM 0 HG11 VAL A 24 -18.528 -1.625 -17.515 1.00 10.24 H new ATOM 0 HG12 VAL A 24 -18.149 0.016 -18.089 1.00 10.24 H new ATOM 0 HG13 VAL A 24 -17.313 -1.388 -18.794 1.00 10.24 H new ATOM 0 HG21 VAL A 24 -16.912 -2.861 -16.112 1.00 71.22 H new ATOM 0 HG22 VAL A 24 -15.629 -2.673 -17.332 1.00 71.22 H new ATOM 0 HG23 VAL A 24 -15.358 -2.117 -15.663 1.00 71.22 H new ATOM 382 N GLY A 25 -15.976 2.322 -16.548 1.00 34.24 N ATOM 383 CA GLY A 25 -16.480 3.677 -16.671 1.00 52.14 C ATOM 384 C GLY A 25 -15.878 4.414 -17.851 1.00 42.02 C ATOM 385 O GLY A 25 -16.468 5.363 -18.366 1.00 55.40 O ATOM 0 H GLY A 25 -15.552 2.103 -15.646 1.00 34.24 H new ATOM 0 HA2 GLY A 25 -17.564 3.650 -16.778 1.00 52.14 H new ATOM 0 HA3 GLY A 25 -16.264 4.226 -15.755 1.00 52.14 H new ATOM 389 N SER A 26 -14.698 3.977 -18.280 1.00 2.52 N ATOM 390 CA SER A 26 -14.012 4.606 -19.403 1.00 32.21 C ATOM 391 C SER A 26 -14.416 3.952 -20.721 1.00 30.43 C ATOM 392 O SER A 26 -13.566 3.511 -21.493 1.00 52.15 O ATOM 393 CB SER A 26 -12.496 4.514 -19.218 1.00 52.14 C ATOM 394 OG SER A 26 -12.051 5.399 -18.205 1.00 13.00 O ATOM 0 H SER A 26 -14.197 3.190 -17.867 1.00 2.52 H new ATOM 0 HA SER A 26 -14.304 5.656 -19.434 1.00 32.21 H new ATOM 0 HB2 SER A 26 -12.219 3.492 -18.959 1.00 52.14 H new ATOM 0 HB3 SER A 26 -11.997 4.751 -20.157 1.00 52.14 H new ATOM 0 HG SER A 26 -11.079 5.320 -18.105 1.00 13.00 H new ATOM 400 N ASN A 27 -15.720 3.892 -20.969 1.00 53.44 N ATOM 401 CA ASN A 27 -16.239 3.292 -22.193 1.00 64.32 C ATOM 402 C ASN A 27 -15.602 3.930 -23.424 1.00 71.32 C ATOM 403 O ASN A 27 -14.828 3.292 -24.138 1.00 70.32 O ATOM 404 CB ASN A 27 -17.760 3.443 -22.256 1.00 22.34 C ATOM 405 CG ASN A 27 -18.398 2.472 -23.231 1.00 3.04 C ATOM 406 OD1 ASN A 27 -17.751 1.998 -24.164 1.00 64.52 O ATOM 407 ND2 ASN A 27 -19.674 2.172 -23.017 1.00 43.55 N ATOM 0 H ASN A 27 -16.437 4.251 -20.339 1.00 53.44 H new ATOM 0 HA ASN A 27 -15.987 2.232 -22.183 1.00 64.32 H new ATOM 0 HB2 ASN A 27 -18.180 3.284 -21.263 1.00 22.34 H new ATOM 0 HB3 ASN A 27 -18.009 4.463 -22.548 1.00 22.34 H new ATOM 0 HD21 ASN A 27 -20.157 1.524 -23.640 1.00 43.55 H new ATOM 0 HD22 ASN A 27 -20.171 2.589 -22.230 1.00 43.55 H new ATOM 414 N LYS A 28 -15.933 5.193 -23.667 1.00 0.52 N ATOM 415 CA LYS A 28 -15.393 5.920 -24.810 1.00 14.32 C ATOM 416 C LYS A 28 -15.914 5.338 -26.120 1.00 13.31 C ATOM 417 O LYS A 28 -15.820 4.135 -26.357 1.00 31.34 O ATOM 418 CB LYS A 28 -13.864 5.876 -24.792 1.00 43.34 C ATOM 419 CG LYS A 28 -13.215 7.248 -24.854 1.00 10.32 C ATOM 420 CD LYS A 28 -13.213 7.801 -26.269 1.00 42.21 C ATOM 421 CE LYS A 28 -12.893 9.288 -26.286 1.00 40.11 C ATOM 422 NZ LYS A 28 -11.679 9.585 -27.096 1.00 53.13 N ATOM 0 H LYS A 28 -16.573 5.735 -23.087 1.00 0.52 H new ATOM 0 HA LYS A 28 -15.721 6.957 -24.738 1.00 14.32 H new ATOM 0 HB2 LYS A 28 -13.534 5.368 -23.886 1.00 43.34 H new ATOM 0 HB3 LYS A 28 -13.516 5.280 -25.636 1.00 43.34 H new ATOM 0 HG2 LYS A 28 -13.748 7.934 -24.195 1.00 10.32 H new ATOM 0 HG3 LYS A 28 -12.191 7.184 -24.486 1.00 10.32 H new ATOM 0 HD2 LYS A 28 -12.480 7.263 -26.870 1.00 42.21 H new ATOM 0 HD3 LYS A 28 -14.187 7.632 -26.728 1.00 42.21 H new ATOM 0 HE2 LYS A 28 -13.743 9.838 -26.690 1.00 40.11 H new ATOM 0 HE3 LYS A 28 -12.743 9.639 -25.265 1.00 40.11 H new ATOM 0 HZ1 LYS A 28 -11.495 10.608 -27.083 1.00 53.13 H new ATOM 0 HZ2 LYS A 28 -10.862 9.081 -26.695 1.00 53.13 H new ATOM 0 HZ3 LYS A 28 -11.831 9.273 -28.077 1.00 53.13 H new ATOM 436 N GLY A 29 -16.463 6.202 -26.969 1.00 72.32 N ATOM 437 CA GLY A 29 -16.989 5.754 -28.245 1.00 55.15 C ATOM 438 C GLY A 29 -18.493 5.564 -28.218 1.00 51.32 C ATOM 439 O GLY A 29 -19.130 5.446 -29.265 1.00 25.23 O ATOM 0 H GLY A 29 -16.553 7.203 -26.796 1.00 72.32 H new ATOM 0 HA2 GLY A 29 -16.731 6.480 -29.016 1.00 55.15 H new ATOM 0 HA3 GLY A 29 -16.512 4.814 -28.521 1.00 55.15 H new ATOM 443 N ALA A 30 -19.062 5.534 -27.018 1.00 34.33 N ATOM 444 CA ALA A 30 -20.500 5.357 -26.858 1.00 55.15 C ATOM 445 C ALA A 30 -21.069 6.359 -25.859 1.00 72.31 C ATOM 446 O ALA A 30 -22.197 6.207 -25.388 1.00 41.31 O ATOM 447 CB ALA A 30 -20.812 3.934 -26.418 1.00 40.42 C ATOM 0 H ALA A 30 -18.549 5.630 -26.142 1.00 34.33 H new ATOM 0 HA ALA A 30 -20.972 5.538 -27.823 1.00 55.15 H new ATOM 0 HB1 ALA A 30 -21.890 3.817 -26.303 1.00 40.42 H new ATOM 0 HB2 ALA A 30 -20.449 3.233 -27.170 1.00 40.42 H new ATOM 0 HB3 ALA A 30 -20.321 3.732 -25.466 1.00 40.42 H new ATOM 453 N ILE A 31 -20.282 7.380 -25.540 1.00 12.45 N ATOM 454 CA ILE A 31 -20.709 8.407 -24.596 1.00 64.42 C ATOM 455 C ILE A 31 -20.242 9.789 -25.040 1.00 15.01 C ATOM 456 O ILE A 31 -19.892 10.632 -24.213 1.00 74.13 O ATOM 457 CB ILE A 31 -20.173 8.127 -23.180 1.00 21.43 C ATOM 458 CG1 ILE A 31 -19.952 6.626 -22.982 1.00 31.43 C ATOM 459 CG2 ILE A 31 -21.135 8.669 -22.133 1.00 23.31 C ATOM 460 CD1 ILE A 31 -19.803 6.223 -21.531 1.00 71.12 C ATOM 0 H ILE A 31 -19.346 7.519 -25.920 1.00 12.45 H new ATOM 0 HA ILE A 31 -21.799 8.383 -24.575 1.00 64.42 H new ATOM 0 HB ILE A 31 -19.215 8.634 -23.063 1.00 21.43 H new ATOM 0 HG12 ILE A 31 -20.791 6.083 -23.417 1.00 31.43 H new ATOM 0 HG13 ILE A 31 -19.059 6.323 -23.528 1.00 31.43 H new ATOM 0 HG21 ILE A 31 -20.742 8.463 -21.137 1.00 23.31 H new ATOM 0 HG22 ILE A 31 -21.247 9.745 -22.264 1.00 23.31 H new ATOM 0 HG23 ILE A 31 -22.106 8.187 -22.247 1.00 23.31 H new ATOM 0 HD11 ILE A 31 -19.649 5.146 -21.466 1.00 71.12 H new ATOM 0 HD12 ILE A 31 -18.946 6.738 -21.096 1.00 71.12 H new ATOM 0 HD13 ILE A 31 -20.706 6.494 -20.984 1.00 71.12 H new ATOM 472 N ILE A 32 -20.242 10.015 -26.349 1.00 52.22 N ATOM 473 CA ILE A 32 -19.822 11.297 -26.902 1.00 71.44 C ATOM 474 C ILE A 32 -20.862 12.379 -26.633 1.00 3.22 C ATOM 475 O ILE A 32 -20.552 13.570 -26.650 1.00 32.34 O ATOM 476 CB ILE A 32 -19.578 11.202 -28.420 1.00 71.31 C ATOM 477 CG1 ILE A 32 -19.230 12.578 -28.990 1.00 2.52 C ATOM 478 CG2 ILE A 32 -20.802 10.628 -29.118 1.00 63.45 C ATOM 479 CD1 ILE A 32 -18.032 13.222 -28.326 1.00 74.32 C ATOM 0 H ILE A 32 -20.528 9.328 -27.046 1.00 52.22 H new ATOM 0 HA ILE A 32 -18.888 11.563 -26.407 1.00 71.44 H new ATOM 0 HB ILE A 32 -18.736 10.533 -28.596 1.00 71.31 H new ATOM 0 HG12 ILE A 32 -19.035 12.481 -30.058 1.00 2.52 H new ATOM 0 HG13 ILE A 32 -20.092 13.236 -28.882 1.00 2.52 H new ATOM 0 HG21 ILE A 32 -20.614 10.567 -30.190 1.00 63.45 H new ATOM 0 HG22 ILE A 32 -21.009 9.631 -28.729 1.00 63.45 H new ATOM 0 HG23 ILE A 32 -21.661 11.274 -28.936 1.00 63.45 H new ATOM 0 HD11 ILE A 32 -17.843 14.195 -28.780 1.00 74.32 H new ATOM 0 HD12 ILE A 32 -18.231 13.351 -27.262 1.00 74.32 H new ATOM 0 HD13 ILE A 32 -17.157 12.585 -28.457 1.00 74.32 H new ATOM 491 N GLY A 33 -22.097 11.956 -26.382 1.00 53.51 N ATOM 492 CA GLY A 33 -23.164 12.902 -26.110 1.00 40.24 C ATOM 493 C GLY A 33 -23.530 12.957 -24.640 1.00 61.44 C ATOM 494 O GLY A 33 -24.231 13.869 -24.201 1.00 32.12 O ATOM 0 H GLY A 33 -22.378 10.976 -26.362 1.00 53.51 H new ATOM 0 HA2 GLY A 33 -22.859 13.894 -26.443 1.00 40.24 H new ATOM 0 HA3 GLY A 33 -24.045 12.628 -26.690 1.00 40.24 H new ATOM 498 N LEU A 34 -23.056 11.977 -23.878 1.00 13.41 N ATOM 499 CA LEU A 34 -23.339 11.916 -22.448 1.00 50.10 C ATOM 500 C LEU A 34 -22.118 12.331 -21.633 1.00 70.23 C ATOM 501 O LEU A 34 -22.244 12.794 -20.500 1.00 70.11 O ATOM 502 CB LEU A 34 -23.773 10.503 -22.054 1.00 54.31 C ATOM 503 CG LEU A 34 -25.229 10.347 -21.611 1.00 44.52 C ATOM 504 CD1 LEU A 34 -25.661 8.892 -21.701 1.00 50.21 C ATOM 505 CD2 LEU A 34 -25.415 10.875 -20.196 1.00 23.42 C ATOM 0 H LEU A 34 -22.475 11.215 -24.226 1.00 13.41 H new ATOM 0 HA LEU A 34 -24.150 12.612 -22.233 1.00 50.10 H new ATOM 0 HB2 LEU A 34 -23.599 9.841 -22.903 1.00 54.31 H new ATOM 0 HB3 LEU A 34 -23.129 10.159 -21.245 1.00 54.31 H new ATOM 0 HG LEU A 34 -25.858 10.933 -22.281 1.00 44.52 H new ATOM 0 HD11 LEU A 34 -26.699 8.800 -21.382 1.00 50.21 H new ATOM 0 HD12 LEU A 34 -25.566 8.547 -22.731 1.00 50.21 H new ATOM 0 HD13 LEU A 34 -25.028 8.284 -21.055 1.00 50.21 H new ATOM 0 HD21 LEU A 34 -26.457 10.756 -19.897 1.00 23.42 H new ATOM 0 HD22 LEU A 34 -24.775 10.317 -19.512 1.00 23.42 H new ATOM 0 HD23 LEU A 34 -25.146 11.931 -20.163 1.00 23.42 H new ATOM 517 N MET A 35 -20.937 12.163 -22.219 1.00 52.14 N ATOM 518 CA MET A 35 -19.693 12.523 -21.549 1.00 14.43 C ATOM 519 C MET A 35 -18.952 13.609 -22.323 1.00 75.45 C ATOM 520 O MET A 35 -17.747 13.793 -22.154 1.00 71.12 O ATOM 521 CB MET A 35 -18.799 11.292 -21.391 1.00 10.34 C ATOM 522 CG MET A 35 -18.060 11.245 -20.063 1.00 62.42 C ATOM 523 SD MET A 35 -16.372 10.633 -20.230 1.00 2.21 S ATOM 524 CE MET A 35 -16.670 8.980 -20.851 1.00 33.22 C ATOM 0 H MET A 35 -20.815 11.780 -23.156 1.00 52.14 H new ATOM 0 HA MET A 35 -19.941 12.912 -20.561 1.00 14.43 H new ATOM 0 HB2 MET A 35 -19.409 10.394 -21.490 1.00 10.34 H new ATOM 0 HB3 MET A 35 -18.072 11.274 -22.203 1.00 10.34 H new ATOM 0 HG2 MET A 35 -18.039 12.244 -19.628 1.00 62.42 H new ATOM 0 HG3 MET A 35 -18.607 10.607 -19.369 1.00 62.42 H new ATOM 0 HE1 MET A 35 -15.730 8.430 -20.888 1.00 33.22 H new ATOM 0 HE2 MET A 35 -17.367 8.464 -20.191 1.00 33.22 H new ATOM 0 HE3 MET A 35 -17.095 9.039 -21.853 1.00 33.22 H new ATOM 534 N VAL A 36 -19.681 14.324 -23.174 1.00 50.33 N ATOM 535 CA VAL A 36 -19.093 15.392 -23.975 1.00 22.44 C ATOM 536 C VAL A 36 -20.168 16.320 -24.528 1.00 1.35 C ATOM 537 O VAL A 36 -19.986 17.536 -24.579 1.00 73.04 O ATOM 538 CB VAL A 36 -18.267 14.826 -25.145 1.00 72.43 C ATOM 539 CG1 VAL A 36 -18.378 15.730 -26.363 1.00 61.13 C ATOM 540 CG2 VAL A 36 -16.814 14.647 -24.734 1.00 64.31 C ATOM 0 H VAL A 36 -20.680 14.183 -23.327 1.00 50.33 H new ATOM 0 HA VAL A 36 -18.435 15.957 -23.315 1.00 22.44 H new ATOM 0 HB VAL A 36 -18.668 13.848 -25.411 1.00 72.43 H new ATOM 0 HG11 VAL A 36 -17.788 15.314 -27.180 1.00 61.13 H new ATOM 0 HG12 VAL A 36 -19.422 15.801 -26.669 1.00 61.13 H new ATOM 0 HG13 VAL A 36 -18.004 16.723 -26.114 1.00 61.13 H new ATOM 0 HG21 VAL A 36 -16.245 14.246 -25.573 1.00 64.31 H new ATOM 0 HG22 VAL A 36 -16.398 15.611 -24.441 1.00 64.31 H new ATOM 0 HG23 VAL A 36 -16.756 13.956 -23.893 1.00 64.31 H new ATOM 550 N GLY A 37 -21.290 15.738 -24.940 1.00 11.40 N ATOM 551 CA GLY A 37 -22.379 16.529 -25.484 1.00 31.33 C ATOM 552 C GLY A 37 -22.895 17.559 -24.499 1.00 53.32 C ATOM 553 O GLY A 37 -23.650 17.231 -23.585 1.00 12.20 O ATOM 0 H GLY A 37 -21.464 14.734 -24.907 1.00 11.40 H new ATOM 0 HA2 GLY A 37 -22.041 17.034 -26.389 1.00 31.33 H new ATOM 0 HA3 GLY A 37 -23.195 15.867 -25.774 1.00 31.33 H new ATOM 557 N GLY A 38 -22.486 18.811 -24.685 1.00 64.41 N ATOM 558 CA GLY A 38 -22.920 19.873 -23.797 1.00 50.12 C ATOM 559 C GLY A 38 -22.071 19.966 -22.545 1.00 22.30 C ATOM 560 O GLY A 38 -22.509 20.502 -21.527 1.00 31.40 O ATOM 0 H GLY A 38 -21.862 19.108 -25.435 1.00 64.41 H new ATOM 0 HA2 GLY A 38 -22.884 20.824 -24.328 1.00 50.12 H new ATOM 0 HA3 GLY A 38 -23.960 19.705 -23.516 1.00 50.12 H new ATOM 564 N VAL A 39 -20.852 19.441 -22.618 1.00 62.33 N ATOM 565 CA VAL A 39 -19.939 19.466 -21.482 1.00 20.13 C ATOM 566 C VAL A 39 -18.556 19.953 -21.898 1.00 42.14 C ATOM 567 O VAL A 39 -17.997 20.865 -21.289 1.00 53.40 O ATOM 568 CB VAL A 39 -19.808 18.074 -20.836 1.00 62.41 C ATOM 569 CG1 VAL A 39 -18.834 18.116 -19.668 1.00 74.01 C ATOM 570 CG2 VAL A 39 -21.169 17.564 -20.388 1.00 13.20 C ATOM 0 H VAL A 39 -20.474 18.993 -23.453 1.00 62.33 H new ATOM 0 HA VAL A 39 -20.361 20.158 -20.753 1.00 20.13 H new ATOM 0 HB VAL A 39 -19.414 17.383 -21.581 1.00 62.41 H new ATOM 0 HG11 VAL A 39 -18.755 17.123 -19.224 1.00 74.01 H new ATOM 0 HG12 VAL A 39 -17.854 18.434 -20.023 1.00 74.01 H new ATOM 0 HG13 VAL A 39 -19.195 18.820 -18.919 1.00 74.01 H new ATOM 0 HG21 VAL A 39 -21.057 16.579 -19.934 1.00 13.20 H new ATOM 0 HG22 VAL A 39 -21.594 18.254 -19.659 1.00 13.20 H new ATOM 0 HG23 VAL A 39 -21.833 17.493 -21.250 1.00 13.20 H new ATOM 580 N VAL A 40 -18.008 19.339 -22.942 1.00 25.31 N ATOM 581 CA VAL A 40 -16.690 19.711 -23.442 1.00 65.33 C ATOM 582 C VAL A 40 -16.777 20.271 -24.857 1.00 41.52 C ATOM 583 O VAL A 40 -17.370 19.656 -25.744 1.00 4.10 O ATOM 584 CB VAL A 40 -15.727 18.508 -23.437 1.00 73.00 C ATOM 585 CG1 VAL A 40 -14.348 18.925 -23.924 1.00 51.33 C ATOM 586 CG2 VAL A 40 -15.648 17.896 -22.047 1.00 21.33 C ATOM 0 H VAL A 40 -18.456 18.582 -23.458 1.00 25.31 H new ATOM 0 HA VAL A 40 -16.303 20.480 -22.773 1.00 65.33 H new ATOM 0 HB VAL A 40 -16.114 17.752 -24.121 1.00 73.00 H new ATOM 0 HG11 VAL A 40 -13.682 18.062 -23.913 1.00 51.33 H new ATOM 0 HG12 VAL A 40 -14.423 19.313 -24.940 1.00 51.33 H new ATOM 0 HG13 VAL A 40 -13.949 19.699 -23.268 1.00 51.33 H new ATOM 0 HG21 VAL A 40 -14.964 17.048 -22.061 1.00 21.33 H new ATOM 0 HG22 VAL A 40 -15.285 18.643 -21.341 1.00 21.33 H new ATOM 0 HG23 VAL A 40 -16.638 17.558 -21.741 1.00 21.33 H new ATOM 596 N ILE A 41 -16.183 21.442 -25.061 1.00 43.24 N ATOM 597 CA ILE A 41 -16.192 22.085 -26.369 1.00 52.24 C ATOM 598 C ILE A 41 -14.803 22.590 -26.744 1.00 63.51 C ATOM 599 O ILE A 41 -14.294 22.292 -27.824 1.00 42.14 O ATOM 600 CB ILE A 41 -17.182 23.264 -26.410 1.00 11.40 C ATOM 601 CG1 ILE A 41 -18.541 22.838 -25.850 1.00 64.52 C ATOM 602 CG2 ILE A 41 -17.329 23.784 -27.832 1.00 42.13 C ATOM 603 CD1 ILE A 41 -18.728 23.183 -24.389 1.00 63.44 C ATOM 0 H ILE A 41 -15.690 21.965 -24.337 1.00 43.24 H new ATOM 0 HA ILE A 41 -16.508 21.330 -27.089 1.00 52.24 H new ATOM 0 HB ILE A 41 -16.790 24.069 -25.788 1.00 11.40 H new ATOM 0 HG12 ILE A 41 -19.330 23.315 -26.431 1.00 64.52 H new ATOM 0 HG13 ILE A 41 -18.657 21.762 -25.978 1.00 64.52 H new ATOM 0 HG21 ILE A 41 -18.032 24.617 -27.844 1.00 42.13 H new ATOM 0 HG22 ILE A 41 -16.359 24.122 -28.198 1.00 42.13 H new ATOM 0 HG23 ILE A 41 -17.701 22.986 -28.475 1.00 42.13 H new ATOM 0 HD11 ILE A 41 -19.713 22.852 -24.060 1.00 63.44 H new ATOM 0 HD12 ILE A 41 -17.961 22.684 -23.796 1.00 63.44 H new ATOM 0 HD13 ILE A 41 -18.645 24.262 -24.256 1.00 63.44 H new ATOM 615 N ALA A 42 -14.193 23.353 -25.843 1.00 54.11 N ATOM 616 CA ALA A 42 -12.861 23.896 -26.077 1.00 61.41 C ATOM 617 C ALA A 42 -12.847 24.811 -27.296 1.00 54.52 C ATOM 618 O ALA A 42 -12.136 24.556 -28.268 1.00 44.15 O ATOM 619 CB ALA A 42 -11.855 22.768 -26.251 1.00 22.52 C ATOM 0 H ALA A 42 -14.601 23.609 -24.944 1.00 54.11 H new ATOM 0 HA ALA A 42 -12.580 24.489 -25.207 1.00 61.41 H new ATOM 0 HB1 ALA A 42 -10.864 23.188 -26.425 1.00 22.52 H new ATOM 0 HB2 ALA A 42 -11.836 22.155 -25.350 1.00 22.52 H new ATOM 0 HB3 ALA A 42 -12.143 22.152 -27.103 1.00 22.52 H new TER 625 ALA A 42