USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 615 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 158:sc= 1.11 (180deg=0.912) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 109:sc= 0.111 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -133:sc= 0.776 (180deg=-1.13!) USER MOD Single : A 36 SER OG : rot 41:sc= 0.352 USER MOD Single : A 37 GLN : amide:sc= -2.45! C(o=-2.4!,f=-3.3!) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 49 GLN : amide:sc= -2.63! C(o=-2.6!,f=-5.5!) USER MOD Single : A 54 GLN : amide:sc= -0.118 K(o=-0.12,f=-0.73) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 1:sc= 1.05 USER MOD Single : A 66 CYS SG : rot 90:sc= -4.15! USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 SER OG : rot 133:sc= -0.875 USER MOD Single : A 78 SER OG : rot -133:sc= 0.245 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.084 7.718 9.309 1.00 64.30 N ATOM 2 CA MET A 1 -5.481 6.955 8.184 1.00 74.02 C ATOM 3 C MET A 1 -4.626 5.785 8.712 1.00 13.12 C ATOM 4 O MET A 1 -3.905 5.929 9.706 1.00 44.30 O ATOM 5 CB MET A 1 -4.632 7.892 7.282 1.00 64.41 C ATOM 6 CG MET A 1 -5.450 8.862 6.420 1.00 2.45 C ATOM 7 SD MET A 1 -6.574 9.904 7.379 1.00 54.53 S ATOM 8 CE MET A 1 -7.440 10.791 6.080 1.00 22.45 C ATOM 0 H1 MET A 1 -6.329 8.676 8.987 1.00 64.30 H new ATOM 0 H2 MET A 1 -6.943 7.232 9.637 1.00 64.30 H new ATOM 0 H3 MET A 1 -5.402 7.780 10.091 1.00 64.30 H new ATOM 0 HA MET A 1 -6.289 6.539 7.582 1.00 74.02 H new ATOM 0 HB2 MET A 1 -3.957 8.469 7.914 1.00 64.41 H new ATOM 0 HB3 MET A 1 -4.011 7.280 6.628 1.00 64.41 H new ATOM 0 HG2 MET A 1 -4.768 9.499 5.857 1.00 2.45 H new ATOM 0 HG3 MET A 1 -6.027 8.291 5.693 1.00 2.45 H new ATOM 0 HE1 MET A 1 -8.166 11.471 6.525 1.00 22.45 H new ATOM 0 HE2 MET A 1 -6.724 11.361 5.489 1.00 22.45 H new ATOM 0 HE3 MET A 1 -7.957 10.080 5.436 1.00 22.45 H new ATOM 18 N THR A 2 -4.730 4.630 8.031 1.00 45.34 N ATOM 19 CA THR A 2 -4.026 3.377 8.398 1.00 73.34 C ATOM 20 C THR A 2 -2.510 3.494 8.054 1.00 70.21 C ATOM 21 O THR A 2 -2.096 3.267 6.921 1.00 43.42 O ATOM 22 CB THR A 2 -4.702 2.158 7.658 1.00 52.35 C ATOM 23 OG1 THR A 2 -6.132 2.223 7.845 1.00 52.54 O ATOM 24 CG2 THR A 2 -4.200 0.783 8.151 1.00 64.54 C ATOM 0 H THR A 2 -5.312 4.534 7.199 1.00 45.34 H new ATOM 0 HA THR A 2 -4.106 3.208 9.472 1.00 73.34 H new ATOM 0 HB THR A 2 -4.430 2.241 6.606 1.00 52.35 H new ATOM 0 HG1 THR A 2 -6.557 1.469 7.386 1.00 52.54 H new ATOM 0 HG21 THR A 2 -4.707 -0.009 7.599 1.00 64.54 H new ATOM 0 HG22 THR A 2 -3.125 0.708 7.988 1.00 64.54 H new ATOM 0 HG23 THR A 2 -4.413 0.678 9.215 1.00 64.54 H new ATOM 32 N ARG A 3 -1.701 3.881 9.061 1.00 41.42 N ATOM 33 CA ARG A 3 -0.289 4.327 8.870 1.00 41.42 C ATOM 34 C ARG A 3 0.690 3.121 8.804 1.00 43.51 C ATOM 35 O ARG A 3 0.582 2.177 9.594 1.00 34.42 O ATOM 36 CB ARG A 3 0.099 5.311 10.037 1.00 60.14 C ATOM 37 CG ARG A 3 1.250 6.323 9.748 1.00 21.41 C ATOM 38 CD ARG A 3 2.669 5.720 9.771 1.00 0.34 C ATOM 39 NE ARG A 3 3.665 6.699 9.295 1.00 41.30 N ATOM 40 CZ ARG A 3 4.849 6.925 9.816 1.00 22.42 C ATOM 41 NH1 ARG A 3 5.287 6.266 10.841 1.00 30.20 N ATOM 42 NH2 ARG A 3 5.588 7.848 9.307 1.00 0.44 N ATOM 0 H ARG A 3 -2.001 3.896 10.036 1.00 41.42 H new ATOM 0 HA ARG A 3 -0.208 4.847 7.915 1.00 41.42 H new ATOM 0 HB2 ARG A 3 -0.790 5.877 10.314 1.00 60.14 H new ATOM 0 HB3 ARG A 3 0.380 4.715 10.905 1.00 60.14 H new ATOM 0 HG2 ARG A 3 1.079 6.775 8.771 1.00 21.41 H new ATOM 0 HG3 ARG A 3 1.201 7.126 10.484 1.00 21.41 H new ATOM 0 HD2 ARG A 3 2.918 5.405 10.784 1.00 0.34 H new ATOM 0 HD3 ARG A 3 2.700 4.829 9.144 1.00 0.34 H new ATOM 0 HE ARG A 3 3.408 7.256 8.480 1.00 41.30 H new ATOM 0 HH11 ARG A 3 4.707 5.545 11.270 1.00 30.20 H new ATOM 0 HH12 ARG A 3 6.212 6.468 11.220 1.00 30.20 H new ATOM 0 HH21 ARG A 3 5.251 8.390 8.512 1.00 0.44 H new ATOM 0 HH22 ARG A 3 6.510 8.037 9.699 1.00 0.44 H new ATOM 56 N VAL A 4 1.643 3.165 7.842 1.00 54.23 N ATOM 57 CA VAL A 4 2.767 2.189 7.738 1.00 41.33 C ATOM 58 C VAL A 4 4.124 2.940 7.579 1.00 22.50 C ATOM 59 O VAL A 4 4.204 3.987 6.924 1.00 54.32 O ATOM 60 CB VAL A 4 2.569 1.170 6.547 1.00 22.11 C ATOM 61 CG1 VAL A 4 3.775 0.201 6.399 1.00 51.11 C ATOM 62 CG2 VAL A 4 1.258 0.364 6.708 1.00 34.23 C ATOM 0 H VAL A 4 1.658 3.878 7.113 1.00 54.23 H new ATOM 0 HA VAL A 4 2.777 1.612 8.663 1.00 41.33 H new ATOM 0 HB VAL A 4 2.504 1.766 5.637 1.00 22.11 H new ATOM 0 HG11 VAL A 4 3.594 -0.481 5.568 1.00 51.11 H new ATOM 0 HG12 VAL A 4 4.681 0.775 6.207 1.00 51.11 H new ATOM 0 HG13 VAL A 4 3.896 -0.372 7.318 1.00 51.11 H new ATOM 0 HG21 VAL A 4 1.151 -0.328 5.873 1.00 34.23 H new ATOM 0 HG22 VAL A 4 1.288 -0.197 7.642 1.00 34.23 H new ATOM 0 HG23 VAL A 4 0.410 1.048 6.723 1.00 34.23 H new ATOM 72 N ARG A 5 5.182 2.380 8.190 1.00 64.10 N ATOM 73 CA ARG A 5 6.537 2.971 8.218 1.00 42.12 C ATOM 74 C ARG A 5 7.568 1.990 7.595 1.00 72.24 C ATOM 75 O ARG A 5 7.511 0.782 7.848 1.00 42.25 O ATOM 76 CB ARG A 5 6.904 3.283 9.693 1.00 72.21 C ATOM 77 CG ARG A 5 8.198 4.097 9.897 1.00 74.14 C ATOM 78 CD ARG A 5 8.541 4.280 11.390 1.00 74.32 C ATOM 79 NE ARG A 5 9.642 5.237 11.594 1.00 22.24 N ATOM 80 CZ ARG A 5 10.752 5.023 12.258 1.00 1.14 C ATOM 81 NH1 ARG A 5 11.035 3.862 12.768 1.00 72.12 N ATOM 82 NH2 ARG A 5 11.595 5.992 12.391 1.00 13.44 N ATOM 0 H ARG A 5 5.122 1.491 8.686 1.00 64.10 H new ATOM 0 HA ARG A 5 6.555 3.889 7.631 1.00 42.12 H new ATOM 0 HB2 ARG A 5 6.077 3.828 10.147 1.00 72.21 H new ATOM 0 HB3 ARG A 5 6.999 2.341 10.233 1.00 72.21 H new ATOM 0 HG2 ARG A 5 9.025 3.594 9.395 1.00 74.14 H new ATOM 0 HG3 ARG A 5 8.088 5.075 9.429 1.00 74.14 H new ATOM 0 HD2 ARG A 5 7.657 4.627 11.924 1.00 74.32 H new ATOM 0 HD3 ARG A 5 8.815 3.316 11.819 1.00 74.32 H new ATOM 0 HE ARG A 5 9.529 6.161 11.176 1.00 22.24 H new ATOM 0 HH11 ARG A 5 10.385 3.084 12.657 1.00 72.12 H new ATOM 0 HH12 ARG A 5 11.907 3.729 13.279 1.00 72.12 H new ATOM 0 HH21 ARG A 5 11.392 6.904 11.983 1.00 13.44 H new ATOM 0 HH22 ARG A 5 12.464 5.845 12.904 1.00 13.44 H new ATOM 96 N SER A 6 8.507 2.518 6.786 1.00 33.55 N ATOM 97 CA SER A 6 9.586 1.714 6.145 1.00 3.51 C ATOM 98 C SER A 6 10.939 2.463 6.225 1.00 70.04 C ATOM 99 O SER A 6 11.004 3.576 6.754 1.00 71.02 O ATOM 100 CB SER A 6 9.213 1.398 4.668 1.00 53.21 C ATOM 101 OG SER A 6 10.152 0.518 4.059 1.00 1.14 O ATOM 0 H SER A 6 8.546 3.510 6.554 1.00 33.55 H new ATOM 0 HA SER A 6 9.689 0.771 6.683 1.00 3.51 H new ATOM 0 HB2 SER A 6 8.220 0.950 4.632 1.00 53.21 H new ATOM 0 HB3 SER A 6 9.164 2.327 4.099 1.00 53.21 H new ATOM 0 HG SER A 6 9.739 -0.361 3.927 1.00 1.14 H new ATOM 107 N THR A 7 12.015 1.833 5.718 1.00 21.12 N ATOM 108 CA THR A 7 13.384 2.411 5.698 1.00 60.11 C ATOM 109 C THR A 7 13.978 2.429 4.262 1.00 43.01 C ATOM 110 O THR A 7 13.681 1.530 3.461 1.00 44.24 O ATOM 111 CB THR A 7 14.342 1.641 6.676 1.00 62.55 C ATOM 112 OG1 THR A 7 14.111 0.221 6.596 1.00 35.30 O ATOM 113 CG2 THR A 7 14.192 2.129 8.127 1.00 62.45 C ATOM 0 H THR A 7 11.965 0.901 5.306 1.00 21.12 H new ATOM 0 HA THR A 7 13.300 3.442 6.040 1.00 60.11 H new ATOM 0 HB THR A 7 15.365 1.851 6.363 1.00 62.55 H new ATOM 0 HG1 THR A 7 14.717 -0.244 7.210 1.00 35.30 H new ATOM 0 HG21 THR A 7 14.872 1.571 8.771 1.00 62.45 H new ATOM 0 HG22 THR A 7 14.432 3.191 8.180 1.00 62.45 H new ATOM 0 HG23 THR A 7 13.166 1.971 8.460 1.00 62.45 H new ATOM 121 N PRO A 8 14.843 3.456 3.920 1.00 53.04 N ATOM 122 CA PRO A 8 15.357 3.673 2.536 1.00 63.14 C ATOM 123 C PRO A 8 16.361 2.579 2.071 1.00 24.41 C ATOM 124 O PRO A 8 17.578 2.691 2.254 1.00 64.42 O ATOM 125 CB PRO A 8 15.991 5.086 2.632 1.00 55.32 C ATOM 126 CG PRO A 8 16.460 5.182 4.048 1.00 20.23 C ATOM 127 CD PRO A 8 15.390 4.491 4.858 1.00 74.04 C ATOM 0 HA PRO A 8 14.577 3.605 1.777 1.00 63.14 H new ATOM 0 HB2 PRO A 8 16.817 5.200 1.930 1.00 55.32 H new ATOM 0 HB3 PRO A 8 15.265 5.865 2.399 1.00 55.32 H new ATOM 0 HG2 PRO A 8 17.428 4.698 4.177 1.00 20.23 H new ATOM 0 HG3 PRO A 8 16.579 6.221 4.355 1.00 20.23 H new ATOM 0 HD2 PRO A 8 15.802 4.036 5.759 1.00 74.04 H new ATOM 0 HD3 PRO A 8 14.617 5.190 5.178 1.00 74.04 H new ATOM 135 N GLY A 9 15.808 1.497 1.500 1.00 64.34 N ATOM 136 CA GLY A 9 16.593 0.367 0.995 1.00 53.50 C ATOM 137 C GLY A 9 15.891 -0.972 1.209 1.00 42.21 C ATOM 138 O GLY A 9 16.128 -1.926 0.460 1.00 62.42 O ATOM 0 H GLY A 9 14.802 1.384 1.377 1.00 64.34 H new ATOM 0 HA2 GLY A 9 16.784 0.508 -0.069 1.00 53.50 H new ATOM 0 HA3 GLY A 9 17.562 0.350 1.494 1.00 53.50 H new ATOM 142 N GLY A 10 15.033 -1.040 2.246 1.00 14.14 N ATOM 143 CA GLY A 10 14.293 -2.266 2.588 1.00 22.54 C ATOM 144 C GLY A 10 13.063 -2.520 1.710 1.00 43.30 C ATOM 145 O GLY A 10 12.973 -2.015 0.593 1.00 3.50 O ATOM 0 H GLY A 10 14.836 -0.253 2.864 1.00 14.14 H new ATOM 0 HA2 GLY A 10 14.967 -3.119 2.506 1.00 22.54 H new ATOM 0 HA3 GLY A 10 13.977 -2.208 3.630 1.00 22.54 H new ATOM 149 N ASP A 11 12.132 -3.348 2.212 1.00 53.44 N ATOM 150 CA ASP A 11 10.859 -3.659 1.520 1.00 72.32 C ATOM 151 C ASP A 11 9.685 -2.873 2.147 1.00 72.52 C ATOM 152 O ASP A 11 9.750 -2.442 3.309 1.00 45.30 O ATOM 153 CB ASP A 11 10.587 -5.188 1.565 1.00 62.55 C ATOM 154 CG ASP A 11 10.515 -5.749 2.995 1.00 4.23 C ATOM 155 OD1 ASP A 11 11.582 -6.021 3.592 1.00 1.55 O ATOM 156 OD2 ASP A 11 9.398 -5.900 3.536 1.00 22.11 O ATOM 0 H ASP A 11 12.236 -3.823 3.109 1.00 53.44 H new ATOM 0 HA ASP A 11 10.946 -3.352 0.478 1.00 72.32 H new ATOM 0 HB2 ASP A 11 9.649 -5.399 1.051 1.00 62.55 H new ATOM 0 HB3 ASP A 11 11.374 -5.707 1.017 1.00 62.55 H new ATOM 161 N LEU A 12 8.610 -2.708 1.368 1.00 12.33 N ATOM 162 CA LEU A 12 7.390 -2.015 1.810 1.00 21.14 C ATOM 163 C LEU A 12 6.185 -2.977 1.754 1.00 72.13 C ATOM 164 O LEU A 12 5.729 -3.322 0.672 1.00 2.04 O ATOM 165 CB LEU A 12 7.128 -0.778 0.913 1.00 51.15 C ATOM 166 CG LEU A 12 5.899 0.086 1.312 1.00 53.10 C ATOM 167 CD1 LEU A 12 6.058 0.652 2.744 1.00 74.42 C ATOM 168 CD2 LEU A 12 5.650 1.200 0.273 1.00 31.05 C ATOM 0 H LEU A 12 8.560 -3.052 0.409 1.00 12.33 H new ATOM 0 HA LEU A 12 7.526 -1.682 2.839 1.00 21.14 H new ATOM 0 HB2 LEU A 12 8.016 -0.145 0.927 1.00 51.15 H new ATOM 0 HB3 LEU A 12 6.995 -1.117 -0.114 1.00 51.15 H new ATOM 0 HG LEU A 12 5.017 -0.554 1.318 1.00 53.10 H new ATOM 0 HD11 LEU A 12 5.184 1.252 2.997 1.00 74.42 H new ATOM 0 HD12 LEU A 12 6.150 -0.171 3.452 1.00 74.42 H new ATOM 0 HD13 LEU A 12 6.952 1.274 2.792 1.00 74.42 H new ATOM 0 HD21 LEU A 12 4.785 1.791 0.574 1.00 31.05 H new ATOM 0 HD22 LEU A 12 6.527 1.844 0.213 1.00 31.05 H new ATOM 0 HD23 LEU A 12 5.462 0.752 -0.703 1.00 31.05 H new ATOM 180 N GLU A 13 5.686 -3.408 2.925 1.00 20.23 N ATOM 181 CA GLU A 13 4.514 -4.307 3.024 1.00 72.43 C ATOM 182 C GLU A 13 3.365 -3.607 3.791 1.00 23.03 C ATOM 183 O GLU A 13 3.497 -3.297 4.983 1.00 31.31 O ATOM 184 CB GLU A 13 4.908 -5.638 3.726 1.00 22.24 C ATOM 185 CG GLU A 13 3.756 -6.650 3.875 1.00 52.10 C ATOM 186 CD GLU A 13 4.185 -7.951 4.563 1.00 71.21 C ATOM 187 OE1 GLU A 13 4.373 -7.937 5.802 1.00 53.33 O ATOM 188 OE2 GLU A 13 4.355 -8.983 3.871 1.00 64.10 O ATOM 0 H GLU A 13 6.079 -3.146 3.829 1.00 20.23 H new ATOM 0 HA GLU A 13 4.167 -4.540 2.017 1.00 72.43 H new ATOM 0 HB2 GLU A 13 5.715 -6.106 3.162 1.00 22.24 H new ATOM 0 HB3 GLU A 13 5.303 -5.408 4.716 1.00 22.24 H new ATOM 0 HG2 GLU A 13 2.949 -6.192 4.447 1.00 52.10 H new ATOM 0 HG3 GLU A 13 3.355 -6.883 2.889 1.00 52.10 H new ATOM 195 N LEU A 14 2.247 -3.351 3.085 1.00 11.15 N ATOM 196 CA LEU A 14 1.037 -2.736 3.665 1.00 14.24 C ATOM 197 C LEU A 14 -0.025 -3.833 3.878 1.00 70.41 C ATOM 198 O LEU A 14 -0.655 -4.271 2.915 1.00 25.41 O ATOM 199 CB LEU A 14 0.464 -1.647 2.701 1.00 60.14 C ATOM 200 CG LEU A 14 1.477 -0.648 2.066 1.00 22.44 C ATOM 201 CD1 LEU A 14 0.744 0.457 1.291 1.00 53.54 C ATOM 202 CD2 LEU A 14 2.432 -0.041 3.100 1.00 73.33 C ATOM 0 H LEU A 14 2.157 -3.566 2.092 1.00 11.15 H new ATOM 0 HA LEU A 14 1.294 -2.266 4.614 1.00 14.24 H new ATOM 0 HB2 LEU A 14 -0.060 -2.155 1.892 1.00 60.14 H new ATOM 0 HB3 LEU A 14 -0.280 -1.069 3.249 1.00 60.14 H new ATOM 0 HG LEU A 14 2.087 -1.221 1.368 1.00 22.44 H new ATOM 0 HD11 LEU A 14 1.473 1.142 0.857 1.00 53.54 H new ATOM 0 HD12 LEU A 14 0.148 0.010 0.496 1.00 53.54 H new ATOM 0 HD13 LEU A 14 0.090 1.005 1.970 1.00 53.54 H new ATOM 0 HD21 LEU A 14 3.116 0.647 2.604 1.00 73.33 H new ATOM 0 HD22 LEU A 14 1.858 0.498 3.853 1.00 73.33 H new ATOM 0 HD23 LEU A 14 3.002 -0.836 3.579 1.00 73.33 H new ATOM 214 N VAL A 15 -0.211 -4.278 5.126 1.00 25.44 N ATOM 215 CA VAL A 15 -1.266 -5.255 5.484 1.00 24.21 C ATOM 216 C VAL A 15 -2.403 -4.523 6.221 1.00 73.42 C ATOM 217 O VAL A 15 -2.165 -3.880 7.252 1.00 71.22 O ATOM 218 CB VAL A 15 -0.704 -6.427 6.379 1.00 0.20 C ATOM 219 CG1 VAL A 15 -1.814 -7.446 6.763 1.00 14.40 C ATOM 220 CG2 VAL A 15 0.481 -7.131 5.674 1.00 21.14 C ATOM 0 H VAL A 15 0.358 -3.978 5.918 1.00 25.44 H new ATOM 0 HA VAL A 15 -1.643 -5.703 4.565 1.00 24.21 H new ATOM 0 HB VAL A 15 -0.339 -5.987 7.307 1.00 0.20 H new ATOM 0 HG11 VAL A 15 -1.385 -8.236 7.379 1.00 14.40 H new ATOM 0 HG12 VAL A 15 -2.599 -6.936 7.322 1.00 14.40 H new ATOM 0 HG13 VAL A 15 -2.238 -7.881 5.858 1.00 14.40 H new ATOM 0 HG21 VAL A 15 0.855 -7.936 6.307 1.00 21.14 H new ATOM 0 HG22 VAL A 15 0.145 -7.543 4.723 1.00 21.14 H new ATOM 0 HG23 VAL A 15 1.279 -6.410 5.496 1.00 21.14 H new ATOM 230 N VAL A 16 -3.632 -4.611 5.679 1.00 42.31 N ATOM 231 CA VAL A 16 -4.819 -3.938 6.266 1.00 13.21 C ATOM 232 C VAL A 16 -5.671 -4.938 7.067 1.00 14.34 C ATOM 233 O VAL A 16 -5.707 -6.129 6.753 1.00 34.01 O ATOM 234 CB VAL A 16 -5.753 -3.234 5.184 1.00 31.14 C ATOM 235 CG1 VAL A 16 -6.347 -1.911 5.737 1.00 41.15 C ATOM 236 CG2 VAL A 16 -5.031 -3.006 3.844 1.00 11.14 C ATOM 0 H VAL A 16 -3.835 -5.142 4.832 1.00 42.31 H new ATOM 0 HA VAL A 16 -4.418 -3.161 6.917 1.00 13.21 H new ATOM 0 HB VAL A 16 -6.577 -3.918 4.982 1.00 31.14 H new ATOM 0 HG11 VAL A 16 -6.980 -1.451 4.978 1.00 41.15 H new ATOM 0 HG12 VAL A 16 -6.941 -2.123 6.626 1.00 41.15 H new ATOM 0 HG13 VAL A 16 -5.537 -1.229 5.996 1.00 41.15 H new ATOM 0 HG21 VAL A 16 -5.711 -2.524 3.142 1.00 11.14 H new ATOM 0 HG22 VAL A 16 -4.161 -2.368 4.003 1.00 11.14 H new ATOM 0 HG23 VAL A 16 -4.708 -3.964 3.437 1.00 11.14 H new ATOM 246 N HIS A 17 -6.322 -4.438 8.124 1.00 73.15 N ATOM 247 CA HIS A 17 -7.406 -5.152 8.829 1.00 2.41 C ATOM 248 C HIS A 17 -8.643 -4.238 8.949 1.00 42.33 C ATOM 249 O HIS A 17 -9.204 -4.028 10.030 1.00 15.13 O ATOM 250 CB HIS A 17 -6.906 -5.701 10.195 1.00 4.42 C ATOM 251 CG HIS A 17 -5.956 -6.868 10.047 1.00 73.15 C ATOM 252 ND1 HIS A 17 -4.586 -6.736 10.049 1.00 2.44 N ATOM 253 CD2 HIS A 17 -6.197 -8.191 9.853 1.00 23.23 C ATOM 254 CE1 HIS A 17 -4.027 -7.912 9.856 1.00 73.25 C ATOM 255 NE2 HIS A 17 -4.978 -8.813 9.733 1.00 22.21 N ATOM 0 H HIS A 17 -6.114 -3.522 8.521 1.00 73.15 H new ATOM 0 HA HIS A 17 -7.712 -6.024 8.251 1.00 2.41 H new ATOM 0 HB2 HIS A 17 -6.408 -4.901 10.742 1.00 4.42 H new ATOM 0 HB3 HIS A 17 -7.764 -6.010 10.793 1.00 4.42 H new ATOM 0 HD2 HIS A 17 -7.166 -8.665 9.803 1.00 23.23 H new ATOM 0 HE1 HIS A 17 -2.966 -8.105 9.807 1.00 73.25 H new ATOM 0 HE2 HIS A 17 -4.834 -9.810 9.574 1.00 22.21 H new ATOM 264 N LEU A 18 -9.037 -3.683 7.783 1.00 23.33 N ATOM 265 CA LEU A 18 -10.270 -2.885 7.628 1.00 40.45 C ATOM 266 C LEU A 18 -11.568 -3.752 7.684 1.00 72.41 C ATOM 267 O LEU A 18 -11.519 -4.988 7.650 1.00 53.33 O ATOM 268 CB LEU A 18 -10.180 -2.007 6.327 1.00 15.23 C ATOM 269 CG LEU A 18 -9.745 -2.675 4.960 1.00 23.11 C ATOM 270 CD1 LEU A 18 -10.698 -3.778 4.463 1.00 13.24 C ATOM 271 CD2 LEU A 18 -9.557 -1.588 3.869 1.00 1.43 C ATOM 0 H LEU A 18 -8.505 -3.777 6.918 1.00 23.33 H new ATOM 0 HA LEU A 18 -10.346 -2.215 8.485 1.00 40.45 H new ATOM 0 HB2 LEU A 18 -11.159 -1.554 6.171 1.00 15.23 H new ATOM 0 HB3 LEU A 18 -9.482 -1.195 6.530 1.00 15.23 H new ATOM 0 HG LEU A 18 -8.797 -3.174 5.159 1.00 23.11 H new ATOM 0 HD11 LEU A 18 -10.327 -4.183 3.521 1.00 13.24 H new ATOM 0 HD12 LEU A 18 -10.750 -4.575 5.205 1.00 13.24 H new ATOM 0 HD13 LEU A 18 -11.692 -3.358 4.311 1.00 13.24 H new ATOM 0 HD21 LEU A 18 -9.258 -2.060 2.933 1.00 1.43 H new ATOM 0 HD22 LEU A 18 -10.496 -1.054 3.722 1.00 1.43 H new ATOM 0 HD23 LEU A 18 -8.785 -0.886 4.184 1.00 1.43 H new ATOM 283 N SER A 19 -12.726 -3.068 7.754 1.00 23.31 N ATOM 284 CA SER A 19 -14.072 -3.695 7.903 1.00 70.24 C ATOM 285 C SER A 19 -14.747 -3.999 6.536 1.00 11.22 C ATOM 286 O SER A 19 -15.975 -4.119 6.454 1.00 72.51 O ATOM 287 CB SER A 19 -14.978 -2.751 8.742 1.00 35.44 C ATOM 288 OG SER A 19 -14.359 -2.382 9.971 1.00 52.43 O ATOM 0 H SER A 19 -12.763 -2.050 7.709 1.00 23.31 H new ATOM 0 HA SER A 19 -13.940 -4.652 8.408 1.00 70.24 H new ATOM 0 HB2 SER A 19 -15.203 -1.854 8.164 1.00 35.44 H new ATOM 0 HB3 SER A 19 -15.928 -3.245 8.947 1.00 35.44 H new ATOM 0 HG SER A 19 -14.955 -1.787 10.472 1.00 52.43 H new ATOM 294 N GLY A 20 -13.941 -4.150 5.471 1.00 20.21 N ATOM 295 CA GLY A 20 -14.465 -4.380 4.109 1.00 64.14 C ATOM 296 C GLY A 20 -14.362 -5.849 3.637 1.00 22.42 C ATOM 297 O GLY A 20 -13.537 -6.611 4.161 1.00 23.05 O ATOM 0 H GLY A 20 -12.923 -4.117 5.525 1.00 20.21 H new ATOM 0 HA2 GLY A 20 -15.510 -4.070 4.075 1.00 64.14 H new ATOM 0 HA3 GLY A 20 -13.922 -3.745 3.409 1.00 64.14 H new ATOM 301 N PRO A 21 -15.210 -6.278 2.638 1.00 54.11 N ATOM 302 CA PRO A 21 -15.178 -7.658 2.060 1.00 23.11 C ATOM 303 C PRO A 21 -14.088 -7.845 0.964 1.00 12.33 C ATOM 304 O PRO A 21 -13.205 -6.997 0.807 1.00 42.20 O ATOM 305 CB PRO A 21 -16.602 -7.781 1.467 1.00 61.51 C ATOM 306 CG PRO A 21 -16.903 -6.398 0.980 1.00 55.22 C ATOM 307 CD PRO A 21 -16.289 -5.459 2.005 1.00 34.25 C ATOM 0 HA PRO A 21 -14.924 -8.419 2.798 1.00 23.11 H new ATOM 0 HB2 PRO A 21 -16.637 -8.508 0.655 1.00 61.51 H new ATOM 0 HB3 PRO A 21 -17.322 -8.107 2.218 1.00 61.51 H new ATOM 0 HG2 PRO A 21 -16.478 -6.230 -0.009 1.00 55.22 H new ATOM 0 HG3 PRO A 21 -17.978 -6.238 0.896 1.00 55.22 H new ATOM 0 HD2 PRO A 21 -15.886 -4.562 1.535 1.00 34.25 H new ATOM 0 HD3 PRO A 21 -17.025 -5.131 2.739 1.00 34.25 H new ATOM 315 N GLY A 22 -14.165 -8.982 0.228 1.00 15.54 N ATOM 316 CA GLY A 22 -13.219 -9.308 -0.867 1.00 10.11 C ATOM 317 C GLY A 22 -13.118 -8.226 -1.949 1.00 3.25 C ATOM 318 O GLY A 22 -12.008 -7.815 -2.322 1.00 41.43 O ATOM 0 H GLY A 22 -14.880 -9.694 0.376 1.00 15.54 H new ATOM 0 HA2 GLY A 22 -12.230 -9.474 -0.441 1.00 10.11 H new ATOM 0 HA3 GLY A 22 -13.527 -10.244 -1.332 1.00 10.11 H new ATOM 322 N GLY A 23 -14.286 -7.803 -2.472 1.00 43.12 N ATOM 323 CA GLY A 23 -14.389 -6.617 -3.335 1.00 70.53 C ATOM 324 C GLY A 23 -14.616 -6.905 -4.836 1.00 13.10 C ATOM 325 O GLY A 23 -15.763 -7.124 -5.237 1.00 73.51 O ATOM 0 H GLY A 23 -15.177 -8.272 -2.308 1.00 43.12 H new ATOM 0 HA2 GLY A 23 -15.209 -5.996 -2.974 1.00 70.53 H new ATOM 0 HA3 GLY A 23 -13.476 -6.032 -3.229 1.00 70.53 H new ATOM 329 N PRO A 24 -13.557 -6.915 -5.725 1.00 44.53 N ATOM 330 CA PRO A 24 -12.110 -6.781 -5.354 1.00 23.51 C ATOM 331 C PRO A 24 -11.704 -5.363 -4.846 1.00 60.11 C ATOM 332 O PRO A 24 -11.986 -4.354 -5.492 1.00 12.15 O ATOM 333 CB PRO A 24 -11.379 -7.134 -6.679 1.00 50.12 C ATOM 334 CG PRO A 24 -12.345 -6.741 -7.753 1.00 14.31 C ATOM 335 CD PRO A 24 -13.719 -7.065 -7.201 1.00 33.14 C ATOM 0 HA PRO A 24 -11.856 -7.425 -4.512 1.00 23.51 H new ATOM 0 HB2 PRO A 24 -10.439 -6.590 -6.771 1.00 50.12 H new ATOM 0 HB3 PRO A 24 -11.139 -8.196 -6.730 1.00 50.12 H new ATOM 0 HG2 PRO A 24 -12.258 -5.681 -7.991 1.00 14.31 H new ATOM 0 HG3 PRO A 24 -12.153 -7.291 -8.674 1.00 14.31 H new ATOM 0 HD2 PRO A 24 -14.477 -6.385 -7.591 1.00 33.14 H new ATOM 0 HD3 PRO A 24 -14.029 -8.075 -7.468 1.00 33.14 H new ATOM 343 N VAL A 25 -11.082 -5.320 -3.650 1.00 30.43 N ATOM 344 CA VAL A 25 -10.520 -4.081 -3.067 1.00 1.24 C ATOM 345 C VAL A 25 -9.324 -3.582 -3.917 1.00 34.10 C ATOM 346 O VAL A 25 -8.417 -4.368 -4.236 1.00 63.25 O ATOM 347 CB VAL A 25 -10.059 -4.320 -1.581 1.00 62.25 C ATOM 348 CG1 VAL A 25 -9.398 -3.062 -0.957 1.00 60.22 C ATOM 349 CG2 VAL A 25 -11.235 -4.827 -0.709 1.00 43.11 C ATOM 0 H VAL A 25 -10.954 -6.142 -3.060 1.00 30.43 H new ATOM 0 HA VAL A 25 -11.301 -3.321 -3.069 1.00 1.24 H new ATOM 0 HB VAL A 25 -9.294 -5.096 -1.606 1.00 62.25 H new ATOM 0 HG11 VAL A 25 -9.098 -3.279 0.068 1.00 60.22 H new ATOM 0 HG12 VAL A 25 -8.520 -2.785 -1.541 1.00 60.22 H new ATOM 0 HG13 VAL A 25 -10.111 -2.237 -0.959 1.00 60.22 H new ATOM 0 HG21 VAL A 25 -10.889 -4.984 0.313 1.00 43.11 H new ATOM 0 HG22 VAL A 25 -12.035 -4.087 -0.711 1.00 43.11 H new ATOM 0 HG23 VAL A 25 -11.609 -5.767 -1.114 1.00 43.11 H new ATOM 359 N ARG A 26 -9.311 -2.278 -4.261 1.00 71.43 N ATOM 360 CA ARG A 26 -8.249 -1.691 -5.111 1.00 43.12 C ATOM 361 C ARG A 26 -7.159 -1.040 -4.244 1.00 10.13 C ATOM 362 O ARG A 26 -7.407 -0.603 -3.126 1.00 72.22 O ATOM 363 CB ARG A 26 -8.816 -0.630 -6.113 1.00 62.35 C ATOM 364 CG ARG A 26 -9.643 -1.195 -7.299 1.00 43.34 C ATOM 365 CD ARG A 26 -11.089 -1.575 -6.931 1.00 44.12 C ATOM 366 NE ARG A 26 -11.897 -0.400 -6.546 1.00 42.32 N ATOM 367 CZ ARG A 26 -12.632 0.327 -7.368 1.00 3.14 C ATOM 368 NH1 ARG A 26 -12.703 0.064 -8.633 1.00 24.43 N ATOM 369 NH2 ARG A 26 -13.298 1.329 -6.914 1.00 21.31 N ATOM 0 H ARG A 26 -10.022 -1.610 -3.965 1.00 71.43 H new ATOM 0 HA ARG A 26 -7.819 -2.509 -5.689 1.00 43.12 H new ATOM 0 HB2 ARG A 26 -9.443 0.068 -5.558 1.00 62.35 H new ATOM 0 HB3 ARG A 26 -7.981 -0.057 -6.517 1.00 62.35 H new ATOM 0 HG2 ARG A 26 -9.665 -0.454 -8.098 1.00 43.34 H new ATOM 0 HG3 ARG A 26 -9.137 -2.075 -7.695 1.00 43.34 H new ATOM 0 HD2 ARG A 26 -11.558 -2.074 -7.779 1.00 44.12 H new ATOM 0 HD3 ARG A 26 -11.076 -2.290 -6.108 1.00 44.12 H new ATOM 0 HE ARG A 26 -11.886 -0.127 -5.563 1.00 42.32 H new ATOM 0 HH11 ARG A 26 -12.183 -0.723 -9.020 1.00 24.43 H new ATOM 0 HH12 ARG A 26 -13.279 0.644 -9.243 1.00 24.43 H new ATOM 0 HH21 ARG A 26 -13.258 1.561 -5.921 1.00 21.31 H new ATOM 0 HH22 ARG A 26 -13.866 1.892 -7.546 1.00 21.31 H new ATOM 383 N TRP A 27 -5.937 -1.030 -4.776 1.00 70.12 N ATOM 384 CA TRP A 27 -4.801 -0.292 -4.206 1.00 22.30 C ATOM 385 C TRP A 27 -4.448 0.881 -5.124 1.00 23.43 C ATOM 386 O TRP A 27 -4.260 0.676 -6.311 1.00 65.04 O ATOM 387 CB TRP A 27 -3.576 -1.228 -4.033 1.00 74.32 C ATOM 388 CG TRP A 27 -3.640 -2.058 -2.785 1.00 2.34 C ATOM 389 CD1 TRP A 27 -4.025 -3.363 -2.654 1.00 32.15 C ATOM 390 CD2 TRP A 27 -3.332 -1.590 -1.471 1.00 15.33 C ATOM 391 NE1 TRP A 27 -3.919 -3.749 -1.340 1.00 42.14 N ATOM 392 CE2 TRP A 27 -3.503 -2.669 -0.592 1.00 21.12 C ATOM 393 CE3 TRP A 27 -2.903 -0.354 -0.968 1.00 61.30 C ATOM 394 CZ2 TRP A 27 -3.260 -2.551 0.769 1.00 33.33 C ATOM 395 CZ3 TRP A 27 -2.672 -0.237 0.386 1.00 14.44 C ATOM 396 CH2 TRP A 27 -2.846 -1.332 1.240 1.00 54.21 C ATOM 0 H TRP A 27 -5.701 -1.540 -5.627 1.00 70.12 H new ATOM 0 HA TRP A 27 -5.078 0.089 -3.223 1.00 22.30 H new ATOM 0 HB2 TRP A 27 -3.506 -1.888 -4.898 1.00 74.32 H new ATOM 0 HB3 TRP A 27 -2.667 -0.627 -4.016 1.00 74.32 H new ATOM 0 HD1 TRP A 27 -4.362 -3.995 -3.462 1.00 32.15 H new ATOM 0 HE1 TRP A 27 -4.116 -4.682 -0.977 1.00 42.14 H new ATOM 0 HE3 TRP A 27 -2.757 0.489 -1.627 1.00 61.30 H new ATOM 0 HZ2 TRP A 27 -3.393 -3.391 1.435 1.00 33.33 H new ATOM 0 HZ3 TRP A 27 -2.353 0.711 0.793 1.00 14.44 H new ATOM 0 HH2 TRP A 27 -2.649 -1.214 2.295 1.00 54.21 H new ATOM 407 N TYR A 28 -4.415 2.106 -4.576 1.00 32.04 N ATOM 408 CA TYR A 28 -3.955 3.310 -5.309 1.00 12.43 C ATOM 409 C TYR A 28 -2.628 3.823 -4.721 1.00 50.23 C ATOM 410 O TYR A 28 -2.262 3.472 -3.599 1.00 51.04 O ATOM 411 CB TYR A 28 -5.018 4.439 -5.263 1.00 20.23 C ATOM 412 CG TYR A 28 -6.382 4.085 -5.889 1.00 23.44 C ATOM 413 CD1 TYR A 28 -7.350 3.384 -5.164 1.00 60.01 C ATOM 414 CD2 TYR A 28 -6.713 4.475 -7.192 1.00 14.54 C ATOM 415 CE1 TYR A 28 -8.581 3.085 -5.712 1.00 4.11 C ATOM 416 CE2 TYR A 28 -7.952 4.182 -7.736 1.00 71.00 C ATOM 417 CZ TYR A 28 -8.877 3.486 -6.991 1.00 55.32 C ATOM 418 OH TYR A 28 -10.120 3.208 -7.519 1.00 53.45 O ATOM 0 H TYR A 28 -4.704 2.296 -3.616 1.00 32.04 H new ATOM 0 HA TYR A 28 -3.802 3.024 -6.350 1.00 12.43 H new ATOM 0 HB2 TYR A 28 -5.177 4.724 -4.223 1.00 20.23 H new ATOM 0 HB3 TYR A 28 -4.618 5.314 -5.775 1.00 20.23 H new ATOM 0 HD1 TYR A 28 -7.130 3.070 -4.154 1.00 60.01 H new ATOM 0 HD2 TYR A 28 -5.988 5.014 -7.784 1.00 14.54 H new ATOM 0 HE1 TYR A 28 -9.311 2.536 -5.135 1.00 4.11 H new ATOM 0 HE2 TYR A 28 -8.192 4.498 -8.740 1.00 71.00 H new ATOM 0 HH TYR A 28 -10.173 3.558 -8.433 1.00 53.45 H new ATOM 428 N LYS A 29 -1.919 4.645 -5.498 1.00 74.01 N ATOM 429 CA LYS A 29 -0.712 5.370 -5.042 1.00 3.33 C ATOM 430 C LYS A 29 -0.634 6.733 -5.749 1.00 24.40 C ATOM 431 O LYS A 29 -0.632 6.789 -6.984 1.00 13.11 O ATOM 432 CB LYS A 29 0.569 4.540 -5.313 1.00 73.02 C ATOM 433 CG LYS A 29 1.914 5.295 -5.117 1.00 32.52 C ATOM 434 CD LYS A 29 2.111 5.851 -3.682 1.00 50.13 C ATOM 435 CE LYS A 29 3.567 6.258 -3.383 1.00 13.44 C ATOM 436 NZ LYS A 29 4.075 7.300 -4.304 1.00 45.10 N ATOM 0 H LYS A 29 -2.161 4.833 -6.471 1.00 74.01 H new ATOM 0 HA LYS A 29 -0.782 5.528 -3.966 1.00 3.33 H new ATOM 0 HB2 LYS A 29 0.562 3.670 -4.656 1.00 73.02 H new ATOM 0 HB3 LYS A 29 0.529 4.167 -6.336 1.00 73.02 H new ATOM 0 HG2 LYS A 29 2.737 4.621 -5.352 1.00 32.52 H new ATOM 0 HG3 LYS A 29 1.965 6.120 -5.827 1.00 32.52 H new ATOM 0 HD2 LYS A 29 1.463 6.716 -3.542 1.00 50.13 H new ATOM 0 HD3 LYS A 29 1.796 5.097 -2.961 1.00 50.13 H new ATOM 0 HE2 LYS A 29 3.634 6.622 -2.358 1.00 13.44 H new ATOM 0 HE3 LYS A 29 4.206 5.378 -3.451 1.00 13.44 H new ATOM 0 HZ1 LYS A 29 5.017 7.028 -4.650 1.00 45.10 H new ATOM 0 HZ2 LYS A 29 3.425 7.398 -5.110 1.00 45.10 H new ATOM 0 HZ3 LYS A 29 4.140 8.207 -3.800 1.00 45.10 H new ATOM 450 N ASP A 30 -0.584 7.820 -4.945 1.00 4.20 N ATOM 451 CA ASP A 30 -0.516 9.216 -5.443 1.00 72.13 C ATOM 452 C ASP A 30 -1.668 9.568 -6.436 1.00 44.13 C ATOM 453 O ASP A 30 -1.547 10.496 -7.244 1.00 0.02 O ATOM 454 CB ASP A 30 0.899 9.485 -6.049 1.00 61.05 C ATOM 455 CG ASP A 30 2.010 9.675 -4.999 1.00 31.14 C ATOM 456 OD1 ASP A 30 1.850 9.262 -3.828 1.00 55.31 O ATOM 457 OD2 ASP A 30 3.067 10.223 -5.349 1.00 13.05 O ATOM 0 H ASP A 30 -0.590 7.754 -3.927 1.00 4.20 H new ATOM 0 HA ASP A 30 -0.666 9.885 -4.596 1.00 72.13 H new ATOM 0 HB2 ASP A 30 1.168 8.652 -6.699 1.00 61.05 H new ATOM 0 HB3 ASP A 30 0.850 10.376 -6.675 1.00 61.05 H new ATOM 462 N GLY A 31 -2.806 8.847 -6.308 1.00 34.53 N ATOM 463 CA GLY A 31 -3.988 9.059 -7.152 1.00 60.24 C ATOM 464 C GLY A 31 -4.288 7.903 -8.114 1.00 50.13 C ATOM 465 O GLY A 31 -5.459 7.654 -8.431 1.00 50.14 O ATOM 0 H GLY A 31 -2.923 8.106 -5.617 1.00 34.53 H new ATOM 0 HA2 GLY A 31 -4.855 9.218 -6.511 1.00 60.24 H new ATOM 0 HA3 GLY A 31 -3.848 9.972 -7.731 1.00 60.24 H new ATOM 469 N GLU A 32 -3.241 7.176 -8.574 1.00 50.31 N ATOM 470 CA GLU A 32 -3.401 6.133 -9.624 1.00 52.12 C ATOM 471 C GLU A 32 -3.158 4.723 -9.056 1.00 70.32 C ATOM 472 O GLU A 32 -2.155 4.482 -8.383 1.00 71.54 O ATOM 473 CB GLU A 32 -2.465 6.388 -10.836 1.00 44.03 C ATOM 474 CG GLU A 32 -2.668 5.387 -12.014 1.00 75.33 C ATOM 475 CD GLU A 32 -1.825 5.668 -13.272 1.00 31.25 C ATOM 476 OE1 GLU A 32 -0.974 6.583 -13.257 1.00 64.24 O ATOM 477 OE2 GLU A 32 -2.027 4.971 -14.292 1.00 44.11 O ATOM 0 H GLU A 32 -2.284 7.289 -8.240 1.00 50.31 H new ATOM 0 HA GLU A 32 -4.432 6.194 -9.973 1.00 52.12 H new ATOM 0 HB2 GLU A 32 -2.629 7.402 -11.202 1.00 44.03 H new ATOM 0 HB3 GLU A 32 -1.429 6.333 -10.500 1.00 44.03 H new ATOM 0 HG2 GLU A 32 -2.437 4.383 -11.659 1.00 75.33 H new ATOM 0 HG3 GLU A 32 -3.721 5.391 -12.295 1.00 75.33 H new ATOM 484 N ARG A 33 -4.088 3.804 -9.368 1.00 52.44 N ATOM 485 CA ARG A 33 -4.074 2.406 -8.874 1.00 75.53 C ATOM 486 C ARG A 33 -2.824 1.595 -9.335 1.00 23.32 C ATOM 487 O ARG A 33 -2.253 1.857 -10.401 1.00 34.44 O ATOM 488 CB ARG A 33 -5.387 1.657 -9.285 1.00 15.01 C ATOM 489 CG ARG A 33 -5.467 1.210 -10.772 1.00 3.14 C ATOM 490 CD ARG A 33 -5.676 2.386 -11.750 1.00 32.31 C ATOM 491 NE ARG A 33 -5.598 1.993 -13.167 1.00 4.14 N ATOM 492 CZ ARG A 33 -5.735 2.814 -14.191 1.00 62.45 C ATOM 493 NH1 ARG A 33 -5.996 4.078 -14.023 1.00 22.12 N ATOM 494 NH2 ARG A 33 -5.608 2.356 -15.389 1.00 72.04 N ATOM 0 H ARG A 33 -4.881 4.008 -9.976 1.00 52.44 H new ATOM 0 HA ARG A 33 -4.018 2.473 -7.788 1.00 75.53 H new ATOM 0 HB2 ARG A 33 -5.494 0.776 -8.653 1.00 15.01 H new ATOM 0 HB3 ARG A 33 -6.236 2.307 -9.073 1.00 15.01 H new ATOM 0 HG2 ARG A 33 -4.549 0.685 -11.037 1.00 3.14 H new ATOM 0 HG3 ARG A 33 -6.286 0.500 -10.888 1.00 3.14 H new ATOM 0 HD2 ARG A 33 -6.650 2.838 -11.560 1.00 32.31 H new ATOM 0 HD3 ARG A 33 -4.925 3.151 -11.552 1.00 32.31 H new ATOM 0 HE ARG A 33 -5.425 1.009 -13.373 1.00 4.14 H new ATOM 0 HH11 ARG A 33 -6.100 4.457 -13.082 1.00 22.12 H new ATOM 0 HH12 ARG A 33 -6.097 4.690 -14.833 1.00 22.12 H new ATOM 0 HH21 ARG A 33 -5.404 1.368 -15.538 1.00 72.04 H new ATOM 0 HH22 ARG A 33 -5.712 2.982 -16.188 1.00 72.04 H new ATOM 508 N LEU A 34 -2.430 0.596 -8.514 1.00 51.41 N ATOM 509 CA LEU A 34 -1.294 -0.311 -8.794 1.00 35.33 C ATOM 510 C LEU A 34 -1.809 -1.670 -9.326 1.00 41.20 C ATOM 511 O LEU A 34 -2.838 -2.176 -8.862 1.00 1.50 O ATOM 512 CB LEU A 34 -0.452 -0.550 -7.503 1.00 42.22 C ATOM 513 CG LEU A 34 0.059 0.727 -6.756 1.00 52.21 C ATOM 514 CD1 LEU A 34 1.062 0.357 -5.645 1.00 30.21 C ATOM 515 CD2 LEU A 34 0.678 1.746 -7.742 1.00 1.42 C ATOM 0 H LEU A 34 -2.896 0.395 -7.629 1.00 51.41 H new ATOM 0 HA LEU A 34 -0.665 0.159 -9.550 1.00 35.33 H new ATOM 0 HB2 LEU A 34 -1.053 -1.135 -6.807 1.00 42.22 H new ATOM 0 HB3 LEU A 34 0.412 -1.159 -7.767 1.00 42.22 H new ATOM 0 HG LEU A 34 -0.804 1.200 -6.287 1.00 52.21 H new ATOM 0 HD11 LEU A 34 1.400 1.264 -5.143 1.00 30.21 H new ATOM 0 HD12 LEU A 34 0.578 -0.299 -4.922 1.00 30.21 H new ATOM 0 HD13 LEU A 34 1.918 -0.156 -6.084 1.00 30.21 H new ATOM 0 HD21 LEU A 34 1.023 2.621 -7.192 1.00 1.42 H new ATOM 0 HD22 LEU A 34 1.521 1.287 -8.259 1.00 1.42 H new ATOM 0 HD23 LEU A 34 -0.073 2.049 -8.471 1.00 1.42 H new ATOM 527 N ALA A 35 -1.073 -2.249 -10.292 1.00 54.14 N ATOM 528 CA ALA A 35 -1.348 -3.593 -10.849 1.00 71.44 C ATOM 529 C ALA A 35 -0.311 -4.610 -10.314 1.00 2.02 C ATOM 530 O ALA A 35 0.787 -4.215 -9.895 1.00 54.24 O ATOM 531 CB ALA A 35 -1.320 -3.532 -12.391 1.00 72.10 C ATOM 0 H ALA A 35 -0.263 -1.796 -10.714 1.00 54.14 H new ATOM 0 HA ALA A 35 -2.339 -3.922 -10.535 1.00 71.44 H new ATOM 0 HB1 ALA A 35 -1.523 -4.523 -12.798 1.00 72.10 H new ATOM 0 HB2 ALA A 35 -2.080 -2.833 -12.741 1.00 72.10 H new ATOM 0 HB3 ALA A 35 -0.338 -3.197 -12.724 1.00 72.10 H new ATOM 537 N SER A 36 -0.670 -5.912 -10.330 1.00 53.44 N ATOM 538 CA SER A 36 0.232 -7.016 -9.910 1.00 11.02 C ATOM 539 C SER A 36 1.496 -7.076 -10.810 1.00 12.12 C ATOM 540 O SER A 36 1.476 -7.602 -11.927 1.00 71.53 O ATOM 541 CB SER A 36 -0.527 -8.369 -9.919 1.00 13.30 C ATOM 542 OG SER A 36 -1.060 -8.672 -11.206 1.00 65.22 O ATOM 0 H SER A 36 -1.590 -6.231 -10.633 1.00 53.44 H new ATOM 0 HA SER A 36 0.563 -6.819 -8.891 1.00 11.02 H new ATOM 0 HB2 SER A 36 0.149 -9.166 -9.609 1.00 13.30 H new ATOM 0 HB3 SER A 36 -1.336 -8.336 -9.190 1.00 13.30 H new ATOM 0 HG SER A 36 -0.404 -8.438 -11.895 1.00 65.22 H new ATOM 548 N GLN A 37 2.579 -6.473 -10.304 1.00 34.32 N ATOM 549 CA GLN A 37 3.873 -6.318 -11.013 1.00 73.44 C ATOM 550 C GLN A 37 4.918 -7.251 -10.326 1.00 43.41 C ATOM 551 O GLN A 37 4.676 -7.730 -9.215 1.00 5.51 O ATOM 552 CB GLN A 37 4.274 -4.796 -10.948 1.00 62.20 C ATOM 553 CG GLN A 37 5.135 -4.209 -12.102 1.00 41.54 C ATOM 554 CD GLN A 37 6.604 -4.642 -12.091 1.00 72.43 C ATOM 555 OE1 GLN A 37 7.430 -4.066 -11.394 1.00 33.33 O ATOM 556 NE2 GLN A 37 6.961 -5.597 -12.924 1.00 64.44 N ATOM 0 H GLN A 37 2.589 -6.067 -9.368 1.00 34.32 H new ATOM 0 HA GLN A 37 3.816 -6.607 -12.063 1.00 73.44 H new ATOM 0 HB2 GLN A 37 3.355 -4.213 -10.889 1.00 62.20 H new ATOM 0 HB3 GLN A 37 4.814 -4.634 -10.015 1.00 62.20 H new ATOM 0 HG2 GLN A 37 4.691 -4.503 -13.053 1.00 41.54 H new ATOM 0 HG3 GLN A 37 5.091 -3.121 -12.052 1.00 41.54 H new ATOM 0 HE21 GLN A 37 6.257 -6.064 -13.496 1.00 64.44 H new ATOM 0 HE22 GLN A 37 7.941 -5.870 -12.998 1.00 64.44 H new ATOM 565 N GLY A 38 6.048 -7.531 -11.001 1.00 74.40 N ATOM 566 CA GLY A 38 7.164 -8.303 -10.405 1.00 63.31 C ATOM 567 C GLY A 38 7.678 -7.737 -9.065 1.00 41.33 C ATOM 568 O GLY A 38 8.062 -8.493 -8.168 1.00 32.20 O ATOM 0 H GLY A 38 6.216 -7.235 -11.962 1.00 74.40 H new ATOM 0 HA2 GLY A 38 6.838 -9.332 -10.251 1.00 63.31 H new ATOM 0 HA3 GLY A 38 7.990 -8.333 -11.115 1.00 63.31 H new ATOM 572 N ARG A 39 7.682 -6.397 -8.941 1.00 11.02 N ATOM 573 CA ARG A 39 8.068 -5.700 -7.684 1.00 3.03 C ATOM 574 C ARG A 39 6.834 -5.490 -6.769 1.00 24.45 C ATOM 575 O ARG A 39 6.960 -5.514 -5.541 1.00 74.53 O ATOM 576 CB ARG A 39 8.770 -4.334 -7.981 1.00 74.13 C ATOM 577 CG ARG A 39 10.205 -4.433 -8.582 1.00 42.33 C ATOM 578 CD ARG A 39 10.247 -5.061 -9.995 1.00 53.22 C ATOM 579 NE ARG A 39 11.613 -5.197 -10.531 1.00 23.15 N ATOM 580 CZ ARG A 39 11.939 -5.862 -11.623 1.00 60.34 C ATOM 581 NH1 ARG A 39 11.046 -6.466 -12.345 1.00 55.12 N ATOM 582 NH2 ARG A 39 13.170 -5.927 -11.989 1.00 50.25 N ATOM 0 H ARG A 39 7.421 -5.765 -9.698 1.00 11.02 H new ATOM 0 HA ARG A 39 8.782 -6.336 -7.161 1.00 3.03 H new ATOM 0 HB2 ARG A 39 8.145 -3.767 -8.670 1.00 74.13 H new ATOM 0 HB3 ARG A 39 8.822 -3.763 -7.054 1.00 74.13 H new ATOM 0 HG2 ARG A 39 10.641 -3.435 -8.625 1.00 42.33 H new ATOM 0 HG3 ARG A 39 10.829 -5.025 -7.913 1.00 42.33 H new ATOM 0 HD2 ARG A 39 9.777 -6.044 -9.962 1.00 53.22 H new ATOM 0 HD3 ARG A 39 9.656 -4.448 -10.676 1.00 53.22 H new ATOM 0 HE ARG A 39 12.367 -4.741 -10.017 1.00 23.15 H new ATOM 0 HH11 ARG A 39 10.063 -6.434 -12.073 1.00 55.12 H new ATOM 0 HH12 ARG A 39 11.327 -6.973 -13.185 1.00 55.12 H new ATOM 0 HH21 ARG A 39 13.892 -5.465 -11.436 1.00 50.25 H new ATOM 0 HH22 ARG A 39 13.425 -6.440 -12.833 1.00 50.25 H new ATOM 596 N VAL A 40 5.649 -5.281 -7.392 1.00 75.20 N ATOM 597 CA VAL A 40 4.363 -5.063 -6.678 1.00 63.23 C ATOM 598 C VAL A 40 3.616 -6.411 -6.440 1.00 63.04 C ATOM 599 O VAL A 40 2.788 -6.849 -7.253 1.00 30.43 O ATOM 600 CB VAL A 40 3.456 -4.030 -7.460 1.00 5.53 C ATOM 601 CG1 VAL A 40 2.073 -3.835 -6.793 1.00 41.23 C ATOM 602 CG2 VAL A 40 4.194 -2.673 -7.620 1.00 23.11 C ATOM 0 H VAL A 40 5.556 -5.258 -8.407 1.00 75.20 H new ATOM 0 HA VAL A 40 4.586 -4.637 -5.700 1.00 63.23 H new ATOM 0 HB VAL A 40 3.269 -4.447 -8.450 1.00 5.53 H new ATOM 0 HG11 VAL A 40 1.489 -3.117 -7.369 1.00 41.23 H new ATOM 0 HG12 VAL A 40 1.546 -4.789 -6.762 1.00 41.23 H new ATOM 0 HG13 VAL A 40 2.208 -3.462 -5.778 1.00 41.23 H new ATOM 0 HG21 VAL A 40 3.556 -1.973 -8.160 1.00 23.11 H new ATOM 0 HG22 VAL A 40 4.426 -2.267 -6.636 1.00 23.11 H new ATOM 0 HG23 VAL A 40 5.119 -2.825 -8.177 1.00 23.11 H new ATOM 612 N GLN A 41 3.969 -7.082 -5.327 1.00 5.13 N ATOM 613 CA GLN A 41 3.352 -8.362 -4.911 1.00 4.13 C ATOM 614 C GLN A 41 2.021 -8.110 -4.151 1.00 1.35 C ATOM 615 O GLN A 41 2.021 -7.736 -2.970 1.00 21.13 O ATOM 616 CB GLN A 41 4.340 -9.154 -4.011 1.00 34.21 C ATOM 617 CG GLN A 41 5.733 -9.402 -4.633 1.00 33.30 C ATOM 618 CD GLN A 41 6.699 -10.125 -3.684 1.00 32.41 C ATOM 619 OE1 GLN A 41 6.290 -10.919 -2.837 1.00 3.40 O ATOM 620 NE2 GLN A 41 7.987 -9.874 -3.824 1.00 75.43 N ATOM 0 H GLN A 41 4.692 -6.753 -4.687 1.00 5.13 H new ATOM 0 HA GLN A 41 3.130 -8.948 -5.803 1.00 4.13 H new ATOM 0 HB2 GLN A 41 4.468 -8.613 -3.074 1.00 34.21 H new ATOM 0 HB3 GLN A 41 3.892 -10.117 -3.764 1.00 34.21 H new ATOM 0 HG2 GLN A 41 5.618 -9.992 -5.542 1.00 33.30 H new ATOM 0 HG3 GLN A 41 6.168 -8.447 -4.926 1.00 33.30 H new ATOM 0 HE21 GLN A 41 8.304 -9.212 -4.533 1.00 75.43 H new ATOM 0 HE22 GLN A 41 8.666 -10.342 -3.224 1.00 75.43 H new ATOM 629 N LEU A 42 0.888 -8.291 -4.852 1.00 4.41 N ATOM 630 CA LEU A 42 -0.464 -8.117 -4.261 1.00 60.35 C ATOM 631 C LEU A 42 -1.008 -9.430 -3.649 1.00 55.20 C ATOM 632 O LEU A 42 -0.621 -10.532 -4.047 1.00 53.21 O ATOM 633 CB LEU A 42 -1.453 -7.548 -5.323 1.00 72.41 C ATOM 634 CG LEU A 42 -1.243 -6.041 -5.681 1.00 4.23 C ATOM 635 CD1 LEU A 42 -2.221 -5.569 -6.774 1.00 3.24 C ATOM 636 CD2 LEU A 42 -1.371 -5.153 -4.422 1.00 12.32 C ATOM 0 H LEU A 42 0.876 -8.560 -5.836 1.00 4.41 H new ATOM 0 HA LEU A 42 -0.373 -7.400 -3.445 1.00 60.35 H new ATOM 0 HB2 LEU A 42 -1.363 -8.138 -6.235 1.00 72.41 H new ATOM 0 HB3 LEU A 42 -2.471 -7.680 -4.957 1.00 72.41 H new ATOM 0 HG LEU A 42 -0.232 -5.942 -6.077 1.00 4.23 H new ATOM 0 HD11 LEU A 42 -2.041 -4.516 -6.993 1.00 3.24 H new ATOM 0 HD12 LEU A 42 -2.069 -6.159 -7.678 1.00 3.24 H new ATOM 0 HD13 LEU A 42 -3.246 -5.697 -6.425 1.00 3.24 H new ATOM 0 HD21 LEU A 42 -1.221 -4.109 -4.696 1.00 12.32 H new ATOM 0 HD22 LEU A 42 -2.364 -5.275 -3.990 1.00 12.32 H new ATOM 0 HD23 LEU A 42 -0.618 -5.448 -3.691 1.00 12.32 H new ATOM 648 N GLU A 43 -1.885 -9.270 -2.648 1.00 64.40 N ATOM 649 CA GLU A 43 -2.611 -10.380 -1.989 1.00 12.53 C ATOM 650 C GLU A 43 -4.005 -9.855 -1.583 1.00 55.51 C ATOM 651 O GLU A 43 -4.122 -8.769 -1.000 1.00 64.31 O ATOM 652 CB GLU A 43 -1.792 -10.894 -0.757 1.00 43.13 C ATOM 653 CG GLU A 43 -2.239 -12.238 -0.106 1.00 64.44 C ATOM 654 CD GLU A 43 -3.558 -12.163 0.694 1.00 74.32 C ATOM 655 OE1 GLU A 43 -3.668 -11.299 1.587 1.00 40.32 O ATOM 656 OE2 GLU A 43 -4.485 -12.959 0.431 1.00 60.32 O ATOM 0 H GLU A 43 -2.118 -8.355 -2.263 1.00 64.40 H new ATOM 0 HA GLU A 43 -2.734 -11.228 -2.663 1.00 12.53 H new ATOM 0 HB2 GLU A 43 -0.752 -10.999 -1.065 1.00 43.13 H new ATOM 0 HB3 GLU A 43 -1.821 -10.122 0.012 1.00 43.13 H new ATOM 0 HG2 GLU A 43 -2.348 -12.987 -0.891 1.00 64.44 H new ATOM 0 HG3 GLU A 43 -1.447 -12.585 0.558 1.00 64.44 H new ATOM 663 N GLN A 44 -5.060 -10.622 -1.909 1.00 0.32 N ATOM 664 CA GLN A 44 -6.464 -10.205 -1.678 1.00 42.33 C ATOM 665 C GLN A 44 -7.225 -11.258 -0.837 1.00 74.45 C ATOM 666 O GLN A 44 -7.617 -12.314 -1.350 1.00 63.43 O ATOM 667 CB GLN A 44 -7.194 -9.959 -3.034 1.00 1.00 C ATOM 668 CG GLN A 44 -6.525 -8.893 -3.940 1.00 11.00 C ATOM 669 CD GLN A 44 -7.260 -8.639 -5.263 1.00 71.32 C ATOM 670 OE1 GLN A 44 -8.479 -8.755 -5.349 1.00 35.13 O ATOM 671 NE2 GLN A 44 -6.528 -8.288 -6.306 1.00 75.15 N ATOM 0 H GLN A 44 -4.970 -11.543 -2.337 1.00 0.32 H new ATOM 0 HA GLN A 44 -6.449 -9.270 -1.118 1.00 42.33 H new ATOM 0 HB2 GLN A 44 -7.246 -10.901 -3.580 1.00 1.00 H new ATOM 0 HB3 GLN A 44 -8.220 -9.652 -2.830 1.00 1.00 H new ATOM 0 HG2 GLN A 44 -6.458 -7.955 -3.389 1.00 11.00 H new ATOM 0 HG3 GLN A 44 -5.505 -9.208 -4.159 1.00 11.00 H new ATOM 0 HE21 GLN A 44 -5.516 -8.198 -6.212 1.00 75.15 H new ATOM 0 HE22 GLN A 44 -6.975 -8.108 -7.205 1.00 75.15 H new ATOM 680 N ALA A 45 -7.420 -10.961 0.459 1.00 34.33 N ATOM 681 CA ALA A 45 -8.187 -11.821 1.403 1.00 14.31 C ATOM 682 C ALA A 45 -9.399 -11.069 2.021 1.00 72.41 C ATOM 683 O ALA A 45 -10.028 -11.559 2.970 1.00 54.03 O ATOM 684 CB ALA A 45 -7.247 -12.345 2.500 1.00 74.23 C ATOM 0 H ALA A 45 -7.051 -10.115 0.893 1.00 34.33 H new ATOM 0 HA ALA A 45 -8.593 -12.664 0.844 1.00 14.31 H new ATOM 0 HB1 ALA A 45 -7.809 -12.974 3.190 1.00 74.23 H new ATOM 0 HB2 ALA A 45 -6.447 -12.929 2.045 1.00 74.23 H new ATOM 0 HB3 ALA A 45 -6.817 -11.504 3.044 1.00 74.23 H new ATOM 690 N GLY A 46 -9.717 -9.885 1.465 1.00 52.03 N ATOM 691 CA GLY A 46 -10.857 -9.068 1.908 1.00 25.31 C ATOM 692 C GLY A 46 -10.546 -8.203 3.130 1.00 50.54 C ATOM 693 O GLY A 46 -10.137 -7.040 2.998 1.00 61.41 O ATOM 0 H GLY A 46 -9.190 -9.470 0.697 1.00 52.03 H new ATOM 0 HA2 GLY A 46 -11.174 -8.424 1.087 1.00 25.31 H new ATOM 0 HA3 GLY A 46 -11.696 -9.724 2.140 1.00 25.31 H new ATOM 697 N ALA A 47 -10.716 -8.798 4.330 1.00 1.12 N ATOM 698 CA ALA A 47 -10.362 -8.151 5.620 1.00 10.40 C ATOM 699 C ALA A 47 -8.823 -8.076 5.827 1.00 11.35 C ATOM 700 O ALA A 47 -8.350 -7.512 6.818 1.00 21.01 O ATOM 701 CB ALA A 47 -11.026 -8.899 6.788 1.00 32.14 C ATOM 0 H ALA A 47 -11.101 -9.737 4.436 1.00 1.12 H new ATOM 0 HA ALA A 47 -10.737 -7.128 5.591 1.00 10.40 H new ATOM 0 HB1 ALA A 47 -10.759 -8.416 7.728 1.00 32.14 H new ATOM 0 HB2 ALA A 47 -12.109 -8.879 6.664 1.00 32.14 H new ATOM 0 HB3 ALA A 47 -10.681 -9.933 6.801 1.00 32.14 H new ATOM 707 N ARG A 48 -8.064 -8.690 4.896 1.00 45.03 N ATOM 708 CA ARG A 48 -6.593 -8.584 4.829 1.00 2.52 C ATOM 709 C ARG A 48 -6.155 -8.307 3.372 1.00 15.34 C ATOM 710 O ARG A 48 -6.146 -9.214 2.532 1.00 33.15 O ATOM 711 CB ARG A 48 -5.929 -9.888 5.344 1.00 3.25 C ATOM 712 CG ARG A 48 -4.378 -9.855 5.387 1.00 55.51 C ATOM 713 CD ARG A 48 -3.762 -11.253 5.560 1.00 4.02 C ATOM 714 NE ARG A 48 -4.068 -12.117 4.409 1.00 32.40 N ATOM 715 CZ ARG A 48 -4.126 -13.424 4.416 1.00 60.32 C ATOM 716 NH1 ARG A 48 -3.956 -14.102 5.507 1.00 53.34 N ATOM 717 NH2 ARG A 48 -4.353 -14.049 3.313 1.00 41.24 N ATOM 0 H ARG A 48 -8.459 -9.279 4.163 1.00 45.03 H new ATOM 0 HA ARG A 48 -6.272 -7.759 5.465 1.00 2.52 H new ATOM 0 HB2 ARG A 48 -6.302 -10.098 6.347 1.00 3.25 H new ATOM 0 HB3 ARG A 48 -6.243 -10.715 4.708 1.00 3.25 H new ATOM 0 HG2 ARG A 48 -4.002 -9.408 4.467 1.00 55.51 H new ATOM 0 HG3 ARG A 48 -4.054 -9.215 6.208 1.00 55.51 H new ATOM 0 HD2 ARG A 48 -2.682 -11.165 5.675 1.00 4.02 H new ATOM 0 HD3 ARG A 48 -4.143 -11.711 6.473 1.00 4.02 H new ATOM 0 HE ARG A 48 -4.253 -11.652 3.520 1.00 32.40 H new ATOM 0 HH11 ARG A 48 -3.772 -13.617 6.385 1.00 53.34 H new ATOM 0 HH12 ARG A 48 -4.006 -15.121 5.487 1.00 53.34 H new ATOM 0 HH21 ARG A 48 -4.485 -13.525 2.448 1.00 41.24 H new ATOM 0 HH22 ARG A 48 -4.401 -15.068 3.305 1.00 41.24 H new ATOM 731 N GLN A 49 -5.835 -7.043 3.064 1.00 54.12 N ATOM 732 CA GLN A 49 -5.263 -6.655 1.757 1.00 54.45 C ATOM 733 C GLN A 49 -3.769 -6.340 1.923 1.00 70.15 C ATOM 734 O GLN A 49 -3.391 -5.544 2.783 1.00 53.13 O ATOM 735 CB GLN A 49 -6.021 -5.436 1.171 1.00 25.14 C ATOM 736 CG GLN A 49 -7.503 -5.693 0.853 1.00 35.04 C ATOM 737 CD GLN A 49 -7.719 -6.842 -0.137 1.00 51.42 C ATOM 738 OE1 GLN A 49 -7.919 -7.988 0.246 1.00 4.34 O ATOM 739 NE2 GLN A 49 -7.645 -6.552 -1.422 1.00 52.22 N ATOM 0 H GLN A 49 -5.962 -6.261 3.706 1.00 54.12 H new ATOM 0 HA GLN A 49 -5.373 -7.484 1.058 1.00 54.45 H new ATOM 0 HB2 GLN A 49 -5.953 -4.609 1.878 1.00 25.14 H new ATOM 0 HB3 GLN A 49 -5.518 -5.117 0.258 1.00 25.14 H new ATOM 0 HG2 GLN A 49 -8.033 -5.916 1.779 1.00 35.04 H new ATOM 0 HG3 GLN A 49 -7.943 -4.783 0.445 1.00 35.04 H new ATOM 0 HE21 GLN A 49 -7.478 -5.591 -1.719 1.00 52.22 H new ATOM 0 HE22 GLN A 49 -7.755 -7.289 -2.118 1.00 52.22 H new ATOM 748 N VAL A 50 -2.915 -6.988 1.113 1.00 32.30 N ATOM 749 CA VAL A 50 -1.453 -6.782 1.171 1.00 21.10 C ATOM 750 C VAL A 50 -0.918 -6.161 -0.145 1.00 31.22 C ATOM 751 O VAL A 50 -1.109 -6.717 -1.232 1.00 22.14 O ATOM 752 CB VAL A 50 -0.677 -8.116 1.476 1.00 62.41 C ATOM 753 CG1 VAL A 50 0.835 -7.848 1.648 1.00 45.12 C ATOM 754 CG2 VAL A 50 -1.256 -8.844 2.715 1.00 24.45 C ATOM 0 H VAL A 50 -3.211 -7.662 0.407 1.00 32.30 H new ATOM 0 HA VAL A 50 -1.274 -6.088 1.992 1.00 21.10 H new ATOM 0 HB VAL A 50 -0.810 -8.776 0.618 1.00 62.41 H new ATOM 0 HG11 VAL A 50 1.349 -8.786 1.858 1.00 45.12 H new ATOM 0 HG12 VAL A 50 1.234 -7.413 0.732 1.00 45.12 H new ATOM 0 HG13 VAL A 50 0.990 -7.156 2.476 1.00 45.12 H new ATOM 0 HG21 VAL A 50 -0.694 -9.761 2.894 1.00 24.45 H new ATOM 0 HG22 VAL A 50 -1.179 -8.195 3.587 1.00 24.45 H new ATOM 0 HG23 VAL A 50 -2.303 -9.089 2.537 1.00 24.45 H new ATOM 764 N LEU A 51 -0.268 -4.995 -0.017 1.00 24.32 N ATOM 765 CA LEU A 51 0.509 -4.349 -1.099 1.00 43.25 C ATOM 766 C LEU A 51 2.005 -4.402 -0.723 1.00 12.54 C ATOM 767 O LEU A 51 2.424 -3.791 0.257 1.00 41.23 O ATOM 768 CB LEU A 51 -0.011 -2.884 -1.314 1.00 72.22 C ATOM 769 CG LEU A 51 0.735 -1.931 -2.333 1.00 71.21 C ATOM 770 CD1 LEU A 51 1.955 -1.233 -1.704 1.00 21.13 C ATOM 771 CD2 LEU A 51 1.132 -2.683 -3.610 1.00 71.15 C ATOM 0 H LEU A 51 -0.264 -4.462 0.852 1.00 24.32 H new ATOM 0 HA LEU A 51 0.381 -4.873 -2.046 1.00 43.25 H new ATOM 0 HB2 LEU A 51 -1.051 -2.951 -1.632 1.00 72.22 H new ATOM 0 HB3 LEU A 51 -0.006 -2.390 -0.342 1.00 72.22 H new ATOM 0 HG LEU A 51 0.026 -1.149 -2.603 1.00 71.21 H new ATOM 0 HD11 LEU A 51 2.430 -0.591 -2.446 1.00 21.13 H new ATOM 0 HD12 LEU A 51 1.632 -0.629 -0.856 1.00 21.13 H new ATOM 0 HD13 LEU A 51 2.668 -1.984 -1.364 1.00 21.13 H new ATOM 0 HD21 LEU A 51 1.643 -2.001 -4.290 1.00 71.15 H new ATOM 0 HD22 LEU A 51 1.798 -3.507 -3.355 1.00 71.15 H new ATOM 0 HD23 LEU A 51 0.238 -3.076 -4.094 1.00 71.15 H new ATOM 783 N ARG A 52 2.803 -5.148 -1.501 1.00 10.42 N ATOM 784 CA ARG A 52 4.261 -5.271 -1.277 1.00 60.11 C ATOM 785 C ARG A 52 5.055 -4.650 -2.435 1.00 11.43 C ATOM 786 O ARG A 52 5.067 -5.189 -3.530 1.00 24.43 O ATOM 787 CB ARG A 52 4.644 -6.762 -1.097 1.00 34.42 C ATOM 788 CG ARG A 52 4.170 -7.378 0.235 1.00 35.52 C ATOM 789 CD ARG A 52 4.178 -8.916 0.228 1.00 61.55 C ATOM 790 NE ARG A 52 3.147 -9.459 -0.676 1.00 62.15 N ATOM 791 CZ ARG A 52 2.949 -10.732 -0.932 1.00 13.43 C ATOM 792 NH1 ARG A 52 3.728 -11.651 -0.443 1.00 0.15 N ATOM 793 NH2 ARG A 52 1.971 -11.078 -1.705 1.00 1.31 N ATOM 0 H ARG A 52 2.463 -5.683 -2.301 1.00 10.42 H new ATOM 0 HA ARG A 52 4.515 -4.725 -0.368 1.00 60.11 H new ATOM 0 HB2 ARG A 52 4.221 -7.337 -1.921 1.00 34.42 H new ATOM 0 HB3 ARG A 52 5.728 -6.858 -1.164 1.00 34.42 H new ATOM 0 HG2 ARG A 52 4.811 -7.021 1.041 1.00 35.52 H new ATOM 0 HG3 ARG A 52 3.161 -7.027 0.451 1.00 35.52 H new ATOM 0 HD2 ARG A 52 5.160 -9.274 -0.082 1.00 61.55 H new ATOM 0 HD3 ARG A 52 4.008 -9.286 1.239 1.00 61.55 H new ATOM 0 HE ARG A 52 2.536 -8.789 -1.142 1.00 62.15 H new ATOM 0 HH11 ARG A 52 4.513 -11.390 0.154 1.00 0.15 H new ATOM 0 HH12 ARG A 52 3.554 -12.633 -0.656 1.00 0.15 H new ATOM 0 HH21 ARG A 52 1.363 -10.365 -2.109 1.00 1.31 H new ATOM 0 HH22 ARG A 52 1.808 -12.064 -1.911 1.00 1.31 H new ATOM 807 N VAL A 53 5.694 -3.496 -2.188 1.00 41.25 N ATOM 808 CA VAL A 53 6.644 -2.884 -3.139 1.00 22.32 C ATOM 809 C VAL A 53 8.090 -3.276 -2.754 1.00 35.14 C ATOM 810 O VAL A 53 8.540 -3.004 -1.632 1.00 54.11 O ATOM 811 CB VAL A 53 6.505 -1.317 -3.179 1.00 3.35 C ATOM 812 CG1 VAL A 53 7.514 -0.683 -4.163 1.00 63.31 C ATOM 813 CG2 VAL A 53 5.057 -0.895 -3.529 1.00 32.42 C ATOM 0 H VAL A 53 5.570 -2.961 -1.329 1.00 41.25 H new ATOM 0 HA VAL A 53 6.411 -3.261 -4.135 1.00 22.32 H new ATOM 0 HB VAL A 53 6.736 -0.944 -2.181 1.00 3.35 H new ATOM 0 HG11 VAL A 53 7.389 0.400 -4.165 1.00 63.31 H new ATOM 0 HG12 VAL A 53 8.529 -0.931 -3.853 1.00 63.31 H new ATOM 0 HG13 VAL A 53 7.336 -1.070 -5.166 1.00 63.31 H new ATOM 0 HG21 VAL A 53 4.990 0.193 -3.550 1.00 32.42 H new ATOM 0 HG22 VAL A 53 4.788 -1.294 -4.507 1.00 32.42 H new ATOM 0 HG23 VAL A 53 4.372 -1.286 -2.777 1.00 32.42 H new ATOM 823 N GLN A 54 8.797 -3.935 -3.687 1.00 1.03 N ATOM 824 CA GLN A 54 10.202 -4.345 -3.498 1.00 35.34 C ATOM 825 C GLN A 54 11.138 -3.130 -3.731 1.00 51.11 C ATOM 826 O GLN A 54 11.193 -2.585 -4.841 1.00 74.23 O ATOM 827 CB GLN A 54 10.528 -5.542 -4.453 1.00 53.14 C ATOM 828 CG GLN A 54 11.881 -6.273 -4.202 1.00 73.34 C ATOM 829 CD GLN A 54 13.125 -5.560 -4.759 1.00 73.03 C ATOM 830 OE1 GLN A 54 13.067 -4.875 -5.773 1.00 62.25 O ATOM 831 NE2 GLN A 54 14.260 -5.711 -4.103 1.00 63.15 N ATOM 0 H GLN A 54 8.412 -4.199 -4.594 1.00 1.03 H new ATOM 0 HA GLN A 54 10.364 -4.686 -2.476 1.00 35.34 H new ATOM 0 HB2 GLN A 54 9.724 -6.273 -4.373 1.00 53.14 H new ATOM 0 HB3 GLN A 54 10.523 -5.173 -5.479 1.00 53.14 H new ATOM 0 HG2 GLN A 54 12.009 -6.407 -3.128 1.00 73.34 H new ATOM 0 HG3 GLN A 54 11.825 -7.268 -4.643 1.00 73.34 H new ATOM 0 HE21 GLN A 54 14.290 -6.285 -3.260 1.00 63.15 H new ATOM 0 HE22 GLN A 54 15.108 -5.254 -4.438 1.00 63.15 H new ATOM 840 N GLY A 55 11.853 -2.714 -2.668 1.00 4.15 N ATOM 841 CA GLY A 55 12.794 -1.589 -2.732 1.00 5.15 C ATOM 842 C GLY A 55 12.147 -0.234 -2.418 1.00 45.32 C ATOM 843 O GLY A 55 11.963 0.594 -3.312 1.00 72.52 O ATOM 0 H GLY A 55 11.792 -3.149 -1.747 1.00 4.15 H new ATOM 0 HA2 GLY A 55 13.608 -1.766 -2.029 1.00 5.15 H new ATOM 0 HA3 GLY A 55 13.235 -1.550 -3.728 1.00 5.15 H new ATOM 847 N ALA A 56 11.820 -0.012 -1.136 1.00 44.43 N ATOM 848 CA ALA A 56 11.267 1.265 -0.641 1.00 51.23 C ATOM 849 C ALA A 56 12.385 2.319 -0.417 1.00 10.22 C ATOM 850 O ALA A 56 13.132 2.233 0.554 1.00 35.35 O ATOM 851 CB ALA A 56 10.477 1.012 0.657 1.00 3.42 C ATOM 0 H ALA A 56 11.931 -0.716 -0.406 1.00 44.43 H new ATOM 0 HA ALA A 56 10.593 1.670 -1.396 1.00 51.23 H new ATOM 0 HB1 ALA A 56 10.068 1.954 1.024 1.00 3.42 H new ATOM 0 HB2 ALA A 56 9.662 0.316 0.457 1.00 3.42 H new ATOM 0 HB3 ALA A 56 11.141 0.587 1.410 1.00 3.42 H new ATOM 857 N ARG A 57 12.526 3.287 -1.352 1.00 64.54 N ATOM 858 CA ARG A 57 13.509 4.407 -1.241 1.00 21.13 C ATOM 859 C ARG A 57 12.800 5.789 -1.202 1.00 0.14 C ATOM 860 O ARG A 57 12.736 6.432 -0.150 1.00 53.12 O ATOM 861 CB ARG A 57 14.558 4.374 -2.406 1.00 3.05 C ATOM 862 CG ARG A 57 15.756 3.403 -2.232 1.00 22.35 C ATOM 863 CD ARG A 57 15.376 1.918 -2.295 1.00 74.50 C ATOM 864 NE ARG A 57 14.675 1.582 -3.551 1.00 13.23 N ATOM 865 CZ ARG A 57 15.070 0.702 -4.439 1.00 64.04 C ATOM 866 NH1 ARG A 57 16.188 0.063 -4.318 1.00 22.43 N ATOM 867 NH2 ARG A 57 14.315 0.448 -5.449 1.00 32.03 N ATOM 0 H ARG A 57 11.967 3.320 -2.204 1.00 64.54 H new ATOM 0 HA ARG A 57 14.038 4.266 -0.299 1.00 21.13 H new ATOM 0 HB2 ARG A 57 14.037 4.111 -3.327 1.00 3.05 H new ATOM 0 HB3 ARG A 57 14.952 5.382 -2.539 1.00 3.05 H new ATOM 0 HG2 ARG A 57 16.493 3.611 -3.007 1.00 22.35 H new ATOM 0 HG3 ARG A 57 16.236 3.603 -1.274 1.00 22.35 H new ATOM 0 HD2 ARG A 57 16.276 1.309 -2.207 1.00 74.50 H new ATOM 0 HD3 ARG A 57 14.739 1.670 -1.446 1.00 74.50 H new ATOM 0 HE ARG A 57 13.806 2.079 -3.745 1.00 13.23 H new ATOM 0 HH11 ARG A 57 16.791 0.238 -3.514 1.00 22.43 H new ATOM 0 HH12 ARG A 57 16.467 -0.616 -5.027 1.00 22.43 H new ATOM 0 HH21 ARG A 57 13.421 0.929 -5.551 1.00 32.03 H new ATOM 0 HH22 ARG A 57 14.610 -0.234 -6.147 1.00 32.03 H new ATOM 881 N SER A 58 12.275 6.250 -2.358 1.00 11.15 N ATOM 882 CA SER A 58 11.732 7.631 -2.506 1.00 34.52 C ATOM 883 C SER A 58 10.299 7.627 -3.082 1.00 1.54 C ATOM 884 O SER A 58 9.344 7.973 -2.382 1.00 55.13 O ATOM 885 CB SER A 58 12.666 8.484 -3.398 1.00 61.25 C ATOM 886 OG SER A 58 13.967 8.568 -2.844 1.00 75.51 O ATOM 0 H SER A 58 12.213 5.689 -3.208 1.00 11.15 H new ATOM 0 HA SER A 58 11.686 8.073 -1.511 1.00 34.52 H new ATOM 0 HB2 SER A 58 12.720 8.047 -4.395 1.00 61.25 H new ATOM 0 HB3 SER A 58 12.251 9.485 -3.511 1.00 61.25 H new ATOM 0 HG SER A 58 14.537 9.111 -3.428 1.00 75.51 H new ATOM 892 N GLY A 59 10.158 7.210 -4.359 1.00 43.01 N ATOM 893 CA GLY A 59 8.851 7.184 -5.046 1.00 22.12 C ATOM 894 C GLY A 59 7.862 6.157 -4.469 1.00 72.22 C ATOM 895 O GLY A 59 6.671 6.173 -4.789 1.00 34.53 O ATOM 0 H GLY A 59 10.936 6.887 -4.935 1.00 43.01 H new ATOM 0 HA2 GLY A 59 8.403 8.176 -4.990 1.00 22.12 H new ATOM 0 HA3 GLY A 59 9.011 6.966 -6.102 1.00 22.12 H new ATOM 899 N ASP A 60 8.383 5.260 -3.620 1.00 33.23 N ATOM 900 CA ASP A 60 7.600 4.209 -2.934 1.00 21.43 C ATOM 901 C ASP A 60 6.915 4.778 -1.659 1.00 64.21 C ATOM 902 O ASP A 60 5.979 4.185 -1.117 1.00 22.32 O ATOM 903 CB ASP A 60 8.550 3.037 -2.587 1.00 15.52 C ATOM 904 CG ASP A 60 9.537 2.750 -3.738 1.00 21.15 C ATOM 905 OD1 ASP A 60 9.169 2.054 -4.694 1.00 64.44 O ATOM 906 OD2 ASP A 60 10.665 3.296 -3.714 1.00 32.02 O ATOM 0 H ASP A 60 9.375 5.240 -3.383 1.00 33.23 H new ATOM 0 HA ASP A 60 6.807 3.849 -3.589 1.00 21.43 H new ATOM 0 HB2 ASP A 60 9.106 3.274 -1.680 1.00 15.52 H new ATOM 0 HB3 ASP A 60 7.964 2.142 -2.377 1.00 15.52 H new ATOM 911 N ALA A 61 7.411 5.941 -1.196 1.00 53.35 N ATOM 912 CA ALA A 61 6.806 6.717 -0.098 1.00 2.22 C ATOM 913 C ALA A 61 5.695 7.616 -0.656 1.00 55.35 C ATOM 914 O ALA A 61 5.864 8.264 -1.702 1.00 44.45 O ATOM 915 CB ALA A 61 7.877 7.562 0.611 1.00 42.34 C ATOM 0 H ALA A 61 8.252 6.373 -1.578 1.00 53.35 H new ATOM 0 HA ALA A 61 6.375 6.031 0.631 1.00 2.22 H new ATOM 0 HB1 ALA A 61 7.416 8.130 1.419 1.00 42.34 H new ATOM 0 HB2 ALA A 61 8.646 6.906 1.020 1.00 42.34 H new ATOM 0 HB3 ALA A 61 8.330 8.250 -0.103 1.00 42.34 H new ATOM 921 N GLY A 62 4.554 7.621 0.028 1.00 32.22 N ATOM 922 CA GLY A 62 3.405 8.414 -0.393 1.00 70.14 C ATOM 923 C GLY A 62 2.098 7.945 0.227 1.00 24.25 C ATOM 924 O GLY A 62 2.081 7.004 1.031 1.00 60.02 O ATOM 0 H GLY A 62 4.401 7.082 0.880 1.00 32.22 H new ATOM 0 HA2 GLY A 62 3.573 9.457 -0.126 1.00 70.14 H new ATOM 0 HA3 GLY A 62 3.321 8.373 -1.479 1.00 70.14 H new ATOM 928 N GLU A 63 0.988 8.608 -0.134 1.00 33.11 N ATOM 929 CA GLU A 63 -0.353 8.191 0.321 1.00 20.42 C ATOM 930 C GLU A 63 -0.943 7.134 -0.636 1.00 0.31 C ATOM 931 O GLU A 63 -1.142 7.387 -1.832 1.00 33.32 O ATOM 932 CB GLU A 63 -1.331 9.391 0.479 1.00 53.33 C ATOM 933 CG GLU A 63 -1.043 10.320 1.686 1.00 64.31 C ATOM 934 CD GLU A 63 0.247 11.145 1.552 1.00 21.55 C ATOM 935 OE1 GLU A 63 0.236 12.152 0.820 1.00 24.53 O ATOM 936 OE2 GLU A 63 1.279 10.782 2.157 1.00 75.34 O ATOM 0 H GLU A 63 0.989 9.431 -0.736 1.00 33.11 H new ATOM 0 HA GLU A 63 -0.230 7.750 1.310 1.00 20.42 H new ATOM 0 HB2 GLU A 63 -1.301 9.987 -0.433 1.00 53.33 H new ATOM 0 HB3 GLU A 63 -2.345 9.003 0.573 1.00 53.33 H new ATOM 0 HG2 GLU A 63 -1.885 11.001 1.815 1.00 64.31 H new ATOM 0 HG3 GLU A 63 -0.981 9.714 2.590 1.00 64.31 H new ATOM 943 N TYR A 64 -1.183 5.940 -0.085 1.00 74.41 N ATOM 944 CA TYR A 64 -1.878 4.833 -0.770 1.00 53.31 C ATOM 945 C TYR A 64 -3.378 4.858 -0.420 1.00 41.11 C ATOM 946 O TYR A 64 -3.773 5.453 0.573 1.00 42.23 O ATOM 947 CB TYR A 64 -1.249 3.473 -0.369 1.00 75.34 C ATOM 948 CG TYR A 64 0.173 3.256 -0.910 1.00 74.43 C ATOM 949 CD1 TYR A 64 1.265 3.942 -0.373 1.00 24.34 C ATOM 950 CD2 TYR A 64 0.418 2.360 -1.951 1.00 0.42 C ATOM 951 CE1 TYR A 64 2.544 3.738 -0.857 1.00 30.12 C ATOM 952 CE2 TYR A 64 1.690 2.159 -2.436 1.00 23.25 C ATOM 953 CZ TYR A 64 2.748 2.841 -1.891 1.00 61.10 C ATOM 954 OH TYR A 64 4.011 2.644 -2.400 1.00 51.42 O ATOM 0 H TYR A 64 -0.897 5.706 0.866 1.00 74.41 H new ATOM 0 HA TYR A 64 -1.768 4.958 -1.847 1.00 53.31 H new ATOM 0 HB2 TYR A 64 -1.227 3.401 0.718 1.00 75.34 H new ATOM 0 HB3 TYR A 64 -1.890 2.668 -0.729 1.00 75.34 H new ATOM 0 HD1 TYR A 64 1.108 4.643 0.433 1.00 24.34 H new ATOM 0 HD2 TYR A 64 -0.407 1.814 -2.385 1.00 0.42 H new ATOM 0 HE1 TYR A 64 3.378 4.275 -0.431 1.00 30.12 H new ATOM 0 HE2 TYR A 64 1.855 1.464 -3.246 1.00 23.25 H new ATOM 0 HH TYR A 64 4.650 3.207 -1.915 1.00 51.42 H new ATOM 964 N LEU A 65 -4.224 4.266 -1.271 1.00 34.43 N ATOM 965 CA LEU A 65 -5.673 4.135 -0.978 1.00 74.02 C ATOM 966 C LEU A 65 -6.128 2.669 -1.142 1.00 33.13 C ATOM 967 O LEU A 65 -6.234 2.162 -2.262 1.00 55.44 O ATOM 968 CB LEU A 65 -6.508 5.092 -1.879 1.00 24.24 C ATOM 969 CG LEU A 65 -8.063 5.040 -1.700 1.00 51.13 C ATOM 970 CD1 LEU A 65 -8.478 5.328 -0.243 1.00 21.10 C ATOM 971 CD2 LEU A 65 -8.771 6.002 -2.684 1.00 31.33 C ATOM 0 H LEU A 65 -3.941 3.869 -2.167 1.00 34.43 H new ATOM 0 HA LEU A 65 -5.844 4.425 0.059 1.00 74.02 H new ATOM 0 HB2 LEU A 65 -6.177 6.113 -1.691 1.00 24.24 H new ATOM 0 HB3 LEU A 65 -6.277 4.869 -2.920 1.00 24.24 H new ATOM 0 HG LEU A 65 -8.384 4.025 -1.935 1.00 51.13 H new ATOM 0 HD11 LEU A 65 -9.564 5.283 -0.158 1.00 21.10 H new ATOM 0 HD12 LEU A 65 -8.031 4.584 0.416 1.00 21.10 H new ATOM 0 HD13 LEU A 65 -8.132 6.321 0.044 1.00 21.10 H new ATOM 0 HD21 LEU A 65 -9.849 5.944 -2.537 1.00 31.33 H new ATOM 0 HD22 LEU A 65 -8.434 7.022 -2.501 1.00 31.33 H new ATOM 0 HD23 LEU A 65 -8.529 5.718 -3.708 1.00 31.33 H new ATOM 983 N CYS A 66 -6.361 1.987 -0.005 1.00 3.33 N ATOM 984 CA CYS A 66 -6.972 0.646 0.010 1.00 2.14 C ATOM 985 C CYS A 66 -8.509 0.802 -0.074 1.00 11.11 C ATOM 986 O CYS A 66 -9.198 0.924 0.950 1.00 20.42 O ATOM 987 CB CYS A 66 -6.564 -0.128 1.284 1.00 14.05 C ATOM 988 SG CYS A 66 -7.138 -1.841 1.311 1.00 41.44 S ATOM 0 H CYS A 66 -6.133 2.347 0.922 1.00 3.33 H new ATOM 0 HA CYS A 66 -6.617 0.072 -0.846 1.00 2.14 H new ATOM 0 HB2 CYS A 66 -5.478 -0.117 1.372 1.00 14.05 H new ATOM 0 HB3 CYS A 66 -6.960 0.392 2.156 1.00 14.05 H new ATOM 0 HG CYS A 66 -6.240 -2.608 0.767 1.00 41.44 H new ATOM 994 N ASP A 67 -9.018 0.856 -1.316 1.00 14.12 N ATOM 995 CA ASP A 67 -10.436 1.128 -1.618 1.00 11.13 C ATOM 996 C ASP A 67 -11.314 -0.131 -1.422 1.00 22.12 C ATOM 997 O ASP A 67 -11.515 -0.926 -2.355 1.00 52.52 O ATOM 998 CB ASP A 67 -10.560 1.683 -3.060 1.00 63.31 C ATOM 999 CG ASP A 67 -11.990 2.112 -3.427 1.00 55.01 C ATOM 1000 OD1 ASP A 67 -12.401 3.221 -3.041 1.00 1.02 O ATOM 1001 OD2 ASP A 67 -12.716 1.343 -4.090 1.00 40.24 O ATOM 0 H ASP A 67 -8.450 0.710 -2.151 1.00 14.12 H new ATOM 0 HA ASP A 67 -10.803 1.877 -0.917 1.00 11.13 H new ATOM 0 HB2 ASP A 67 -9.892 2.537 -3.171 1.00 63.31 H new ATOM 0 HB3 ASP A 67 -10.225 0.922 -3.765 1.00 63.31 H new ATOM 1006 N ALA A 68 -11.776 -0.334 -0.177 1.00 40.42 N ATOM 1007 CA ALA A 68 -12.767 -1.377 0.149 1.00 53.52 C ATOM 1008 C ALA A 68 -14.200 -0.878 -0.196 1.00 2.14 C ATOM 1009 O ALA A 68 -14.504 0.294 0.055 1.00 74.32 O ATOM 1010 CB ALA A 68 -12.657 -1.783 1.629 1.00 35.12 C ATOM 0 H ALA A 68 -11.476 0.216 0.628 1.00 40.42 H new ATOM 0 HA ALA A 68 -12.561 -2.262 -0.453 1.00 53.52 H new ATOM 0 HB1 ALA A 68 -13.396 -2.553 1.851 1.00 35.12 H new ATOM 0 HB2 ALA A 68 -11.658 -2.171 1.827 1.00 35.12 H new ATOM 0 HB3 ALA A 68 -12.840 -0.913 2.260 1.00 35.12 H new ATOM 1016 N PRO A 69 -15.097 -1.769 -0.758 1.00 52.54 N ATOM 1017 CA PRO A 69 -16.467 -1.396 -1.265 1.00 23.40 C ATOM 1018 C PRO A 69 -17.316 -0.495 -0.326 1.00 71.22 C ATOM 1019 O PRO A 69 -18.060 0.380 -0.782 1.00 21.54 O ATOM 1020 CB PRO A 69 -17.143 -2.781 -1.443 1.00 4.34 C ATOM 1021 CG PRO A 69 -16.014 -3.692 -1.799 1.00 71.13 C ATOM 1022 CD PRO A 69 -14.828 -3.219 -0.983 1.00 11.42 C ATOM 0 HA PRO A 69 -16.387 -0.786 -2.165 1.00 23.40 H new ATOM 0 HB2 PRO A 69 -17.642 -3.102 -0.528 1.00 4.34 H new ATOM 0 HB3 PRO A 69 -17.900 -2.758 -2.227 1.00 4.34 H new ATOM 0 HG2 PRO A 69 -16.260 -4.728 -1.567 1.00 71.13 H new ATOM 0 HG3 PRO A 69 -15.797 -3.647 -2.866 1.00 71.13 H new ATOM 0 HD2 PRO A 69 -14.751 -3.761 -0.041 1.00 11.42 H new ATOM 0 HD3 PRO A 69 -13.890 -3.372 -1.517 1.00 11.42 H new ATOM 1030 N GLN A 70 -17.178 -0.725 0.985 1.00 41.52 N ATOM 1031 CA GLN A 70 -17.966 -0.029 2.033 1.00 3.34 C ATOM 1032 C GLN A 70 -17.066 0.674 3.079 1.00 3.11 C ATOM 1033 O GLN A 70 -17.577 1.306 4.011 1.00 21.42 O ATOM 1034 CB GLN A 70 -18.879 -1.068 2.746 1.00 31.41 C ATOM 1035 CG GLN A 70 -18.111 -2.222 3.435 1.00 24.25 C ATOM 1036 CD GLN A 70 -19.021 -3.198 4.187 1.00 22.33 C ATOM 1037 OE1 GLN A 70 -19.303 -3.030 5.372 1.00 21.54 O ATOM 1038 NE2 GLN A 70 -19.489 -4.229 3.505 1.00 71.24 N ATOM 0 H GLN A 70 -16.514 -1.402 1.361 1.00 41.52 H new ATOM 0 HA GLN A 70 -18.561 0.745 1.548 1.00 3.34 H new ATOM 0 HB2 GLN A 70 -19.483 -0.552 3.492 1.00 31.41 H new ATOM 0 HB3 GLN A 70 -19.568 -1.491 2.015 1.00 31.41 H new ATOM 0 HG2 GLN A 70 -17.545 -2.771 2.683 1.00 24.25 H new ATOM 0 HG3 GLN A 70 -17.388 -1.801 4.133 1.00 24.25 H new ATOM 0 HE21 GLN A 70 -19.240 -4.346 2.523 1.00 71.24 H new ATOM 0 HE22 GLN A 70 -20.099 -4.908 3.961 1.00 71.24 H new ATOM 1047 N ASP A 71 -15.732 0.582 2.917 1.00 3.04 N ATOM 1048 CA ASP A 71 -14.784 0.936 3.997 1.00 12.10 C ATOM 1049 C ASP A 71 -13.384 1.311 3.414 1.00 54.43 C ATOM 1050 O ASP A 71 -12.339 0.817 3.858 1.00 73.10 O ATOM 1051 CB ASP A 71 -14.733 -0.274 4.981 1.00 41.11 C ATOM 1052 CG ASP A 71 -14.126 0.057 6.351 1.00 72.21 C ATOM 1053 OD1 ASP A 71 -14.775 0.754 7.153 1.00 1.02 O ATOM 1054 OD2 ASP A 71 -13.011 -0.367 6.633 1.00 45.24 O ATOM 0 H ASP A 71 -15.286 0.268 2.055 1.00 3.04 H new ATOM 0 HA ASP A 71 -15.114 1.823 4.538 1.00 12.10 H new ATOM 0 HB2 ASP A 71 -15.745 -0.653 5.126 1.00 41.11 H new ATOM 0 HB3 ASP A 71 -14.154 -1.076 4.523 1.00 41.11 H new ATOM 1059 N SER A 72 -13.398 2.204 2.407 1.00 33.50 N ATOM 1060 CA SER A 72 -12.174 2.703 1.712 1.00 13.10 C ATOM 1061 C SER A 72 -11.279 3.561 2.651 1.00 1.33 C ATOM 1062 O SER A 72 -11.739 4.574 3.190 1.00 35.32 O ATOM 1063 CB SER A 72 -12.597 3.538 0.478 1.00 4.51 C ATOM 1064 OG SER A 72 -11.479 4.071 -0.214 1.00 12.25 O ATOM 0 H SER A 72 -14.260 2.609 2.042 1.00 33.50 H new ATOM 0 HA SER A 72 -11.584 1.840 1.401 1.00 13.10 H new ATOM 0 HB2 SER A 72 -13.178 2.913 -0.200 1.00 4.51 H new ATOM 0 HB3 SER A 72 -13.247 4.352 0.797 1.00 4.51 H new ATOM 0 HG SER A 72 -11.584 3.913 -1.176 1.00 12.25 H new ATOM 1070 N ARG A 73 -9.998 3.147 2.845 1.00 4.25 N ATOM 1071 CA ARG A 73 -9.057 3.812 3.798 1.00 21.40 C ATOM 1072 C ARG A 73 -7.712 4.202 3.143 1.00 12.24 C ATOM 1073 O ARG A 73 -7.159 3.460 2.326 1.00 41.04 O ATOM 1074 CB ARG A 73 -8.783 2.898 5.022 1.00 25.04 C ATOM 1075 CG ARG A 73 -10.046 2.516 5.813 1.00 64.31 C ATOM 1076 CD ARG A 73 -9.754 1.775 7.121 1.00 22.03 C ATOM 1077 NE ARG A 73 -11.007 1.367 7.762 1.00 52.23 N ATOM 1078 CZ ARG A 73 -11.285 1.408 9.035 1.00 34.23 C ATOM 1079 NH1 ARG A 73 -10.427 1.841 9.906 1.00 63.02 N ATOM 1080 NH2 ARG A 73 -12.447 1.013 9.426 1.00 4.04 N ATOM 0 H ARG A 73 -9.589 2.353 2.353 1.00 4.25 H new ATOM 0 HA ARG A 73 -9.548 4.731 4.118 1.00 21.40 H new ATOM 0 HB2 ARG A 73 -8.292 1.987 4.680 1.00 25.04 H new ATOM 0 HB3 ARG A 73 -8.087 3.403 5.691 1.00 25.04 H new ATOM 0 HG2 ARG A 73 -10.611 3.421 6.037 1.00 64.31 H new ATOM 0 HG3 ARG A 73 -10.681 1.891 5.186 1.00 64.31 H new ATOM 0 HD2 ARG A 73 -9.137 0.899 6.921 1.00 22.03 H new ATOM 0 HD3 ARG A 73 -9.186 2.418 7.793 1.00 22.03 H new ATOM 0 HE ARG A 73 -11.740 1.013 7.147 1.00 52.23 H new ATOM 0 HH11 ARG A 73 -9.508 2.161 9.601 1.00 63.02 H new ATOM 0 HH12 ARG A 73 -10.672 1.862 10.896 1.00 63.02 H new ATOM 0 HH21 ARG A 73 -13.127 0.677 8.744 1.00 4.04 H new ATOM 0 HH22 ARG A 73 -12.687 1.036 10.417 1.00 4.04 H new ATOM 1094 N ILE A 74 -7.182 5.370 3.557 1.00 3.42 N ATOM 1095 CA ILE A 74 -5.897 5.908 3.075 1.00 41.31 C ATOM 1096 C ILE A 74 -4.744 5.426 3.993 1.00 74.32 C ATOM 1097 O ILE A 74 -4.894 5.353 5.217 1.00 35.23 O ATOM 1098 CB ILE A 74 -5.900 7.498 2.998 1.00 31.35 C ATOM 1099 CG1 ILE A 74 -6.990 8.047 2.004 1.00 4.54 C ATOM 1100 CG2 ILE A 74 -4.499 8.051 2.608 1.00 4.40 C ATOM 1101 CD1 ILE A 74 -8.432 7.975 2.487 1.00 20.41 C ATOM 0 H ILE A 74 -7.640 5.971 4.242 1.00 3.42 H new ATOM 0 HA ILE A 74 -5.746 5.533 2.063 1.00 41.31 H new ATOM 0 HB ILE A 74 -6.152 7.851 3.998 1.00 31.35 H new ATOM 0 HG12 ILE A 74 -6.755 9.087 1.777 1.00 4.54 H new ATOM 0 HG13 ILE A 74 -6.913 7.492 1.069 1.00 4.54 H new ATOM 0 HG21 ILE A 74 -4.537 9.139 2.564 1.00 4.40 H new ATOM 0 HG22 ILE A 74 -3.766 7.743 3.353 1.00 4.40 H new ATOM 0 HG23 ILE A 74 -4.212 7.659 1.633 1.00 4.40 H new ATOM 0 HD11 ILE A 74 -9.093 8.380 1.721 1.00 20.41 H new ATOM 0 HD12 ILE A 74 -8.698 6.937 2.684 1.00 20.41 H new ATOM 0 HD13 ILE A 74 -8.538 8.556 3.403 1.00 20.41 H new ATOM 1113 N PHE A 75 -3.609 5.080 3.377 1.00 62.51 N ATOM 1114 CA PHE A 75 -2.367 4.704 4.067 1.00 42.20 C ATOM 1115 C PHE A 75 -1.354 5.866 4.060 1.00 33.14 C ATOM 1116 O PHE A 75 -0.877 6.272 2.994 1.00 24.04 O ATOM 1117 CB PHE A 75 -1.740 3.449 3.386 1.00 65.12 C ATOM 1118 CG PHE A 75 -2.285 2.123 3.881 1.00 73.52 C ATOM 1119 CD1 PHE A 75 -3.625 1.790 3.715 1.00 63.44 C ATOM 1120 CD2 PHE A 75 -1.454 1.222 4.539 1.00 24.31 C ATOM 1121 CE1 PHE A 75 -4.107 0.596 4.194 1.00 24.41 C ATOM 1122 CE2 PHE A 75 -1.939 0.033 5.020 1.00 25.12 C ATOM 1123 CZ PHE A 75 -3.259 -0.280 4.847 1.00 64.12 C ATOM 0 H PHE A 75 -3.525 5.052 2.361 1.00 62.51 H new ATOM 0 HA PHE A 75 -2.611 4.471 5.104 1.00 42.20 H new ATOM 0 HB2 PHE A 75 -1.904 3.515 2.310 1.00 65.12 H new ATOM 0 HB3 PHE A 75 -0.662 3.466 3.546 1.00 65.12 H new ATOM 0 HD1 PHE A 75 -4.290 2.473 3.207 1.00 63.44 H new ATOM 0 HD2 PHE A 75 -0.410 1.463 4.673 1.00 24.31 H new ATOM 0 HE1 PHE A 75 -5.148 0.341 4.061 1.00 24.41 H new ATOM 0 HE2 PHE A 75 -1.282 -0.653 5.533 1.00 25.12 H new ATOM 0 HZ PHE A 75 -3.642 -1.217 5.223 1.00 64.12 H new ATOM 1133 N LEU A 76 -1.038 6.402 5.253 1.00 34.35 N ATOM 1134 CA LEU A 76 0.113 7.305 5.428 1.00 12.15 C ATOM 1135 C LEU A 76 1.403 6.458 5.457 1.00 75.41 C ATOM 1136 O LEU A 76 1.776 5.908 6.495 1.00 4.41 O ATOM 1137 CB LEU A 76 -0.021 8.152 6.724 1.00 21.13 C ATOM 1138 CG LEU A 76 -1.177 9.194 6.744 1.00 54.52 C ATOM 1139 CD1 LEU A 76 -1.270 9.901 8.115 1.00 24.24 C ATOM 1140 CD2 LEU A 76 -1.036 10.219 5.589 1.00 32.24 C ATOM 0 H LEU A 76 -1.563 6.225 6.109 1.00 34.35 H new ATOM 0 HA LEU A 76 0.149 8.006 4.594 1.00 12.15 H new ATOM 0 HB2 LEU A 76 -0.157 7.473 7.565 1.00 21.13 H new ATOM 0 HB3 LEU A 76 0.919 8.679 6.888 1.00 21.13 H new ATOM 0 HG LEU A 76 -2.110 8.652 6.588 1.00 54.52 H new ATOM 0 HD11 LEU A 76 -2.087 10.623 8.098 1.00 24.24 H new ATOM 0 HD12 LEU A 76 -1.456 9.161 8.894 1.00 24.24 H new ATOM 0 HD13 LEU A 76 -0.333 10.418 8.322 1.00 24.24 H new ATOM 0 HD21 LEU A 76 -1.859 10.932 5.633 1.00 32.24 H new ATOM 0 HD22 LEU A 76 -0.090 10.751 5.688 1.00 32.24 H new ATOM 0 HD23 LEU A 76 -1.059 9.696 4.633 1.00 32.24 H new ATOM 1152 N VAL A 77 2.033 6.312 4.285 1.00 24.22 N ATOM 1153 CA VAL A 77 3.259 5.509 4.118 1.00 12.44 C ATOM 1154 C VAL A 77 4.489 6.421 3.958 1.00 14.44 C ATOM 1155 O VAL A 77 4.619 7.153 2.966 1.00 53.42 O ATOM 1156 CB VAL A 77 3.127 4.541 2.891 1.00 14.52 C ATOM 1157 CG1 VAL A 77 4.445 3.793 2.594 1.00 63.01 C ATOM 1158 CG2 VAL A 77 1.959 3.555 3.112 1.00 21.41 C ATOM 0 H VAL A 77 1.709 6.747 3.421 1.00 24.22 H new ATOM 0 HA VAL A 77 3.394 4.906 5.016 1.00 12.44 H new ATOM 0 HB VAL A 77 2.909 5.147 2.012 1.00 14.52 H new ATOM 0 HG11 VAL A 77 4.305 3.135 1.737 1.00 63.01 H new ATOM 0 HG12 VAL A 77 5.231 4.515 2.372 1.00 63.01 H new ATOM 0 HG13 VAL A 77 4.731 3.201 3.463 1.00 63.01 H new ATOM 0 HG21 VAL A 77 1.878 2.889 2.253 1.00 21.41 H new ATOM 0 HG22 VAL A 77 2.144 2.967 4.011 1.00 21.41 H new ATOM 0 HG23 VAL A 77 1.029 4.112 3.228 1.00 21.41 H new ATOM 1168 N SER A 78 5.375 6.376 4.959 1.00 22.12 N ATOM 1169 CA SER A 78 6.624 7.161 4.971 1.00 52.22 C ATOM 1170 C SER A 78 7.848 6.235 5.000 1.00 61.20 C ATOM 1171 O SER A 78 8.026 5.452 5.943 1.00 64.44 O ATOM 1172 CB SER A 78 6.658 8.102 6.191 1.00 21.31 C ATOM 1173 OG SER A 78 7.886 8.818 6.280 1.00 15.42 O ATOM 0 H SER A 78 5.250 5.794 5.788 1.00 22.12 H new ATOM 0 HA SER A 78 6.655 7.757 4.059 1.00 52.22 H new ATOM 0 HB2 SER A 78 5.831 8.809 6.127 1.00 21.31 H new ATOM 0 HB3 SER A 78 6.511 7.521 7.101 1.00 21.31 H new ATOM 0 HG SER A 78 8.226 8.772 7.198 1.00 15.42 H new ATOM 1179 N VAL A 79 8.669 6.315 3.948 1.00 22.43 N ATOM 1180 CA VAL A 79 10.002 5.711 3.942 1.00 63.43 C ATOM 1181 C VAL A 79 10.983 6.713 4.600 1.00 71.23 C ATOM 1182 O VAL A 79 11.328 7.747 4.016 1.00 3.20 O ATOM 1183 CB VAL A 79 10.458 5.344 2.484 1.00 11.40 C ATOM 1184 CG1 VAL A 79 11.863 4.714 2.476 1.00 72.02 C ATOM 1185 CG2 VAL A 79 9.423 4.411 1.800 1.00 43.45 C ATOM 0 H VAL A 79 8.429 6.798 3.082 1.00 22.43 H new ATOM 0 HA VAL A 79 9.988 4.778 4.506 1.00 63.43 H new ATOM 0 HB VAL A 79 10.511 6.269 1.910 1.00 11.40 H new ATOM 0 HG11 VAL A 79 12.148 4.472 1.452 1.00 72.02 H new ATOM 0 HG12 VAL A 79 12.580 5.420 2.895 1.00 72.02 H new ATOM 0 HG13 VAL A 79 11.857 3.804 3.075 1.00 72.02 H new ATOM 0 HG21 VAL A 79 9.760 4.171 0.792 1.00 43.45 H new ATOM 0 HG22 VAL A 79 9.323 3.492 2.378 1.00 43.45 H new ATOM 0 HG23 VAL A 79 8.457 4.914 1.749 1.00 43.45 H new ATOM 1195 N GLU A 80 11.390 6.393 5.830 1.00 24.43 N ATOM 1196 CA GLU A 80 12.176 7.290 6.705 1.00 23.13 C ATOM 1197 C GLU A 80 13.180 6.465 7.538 1.00 74.24 C ATOM 1198 O GLU A 80 13.302 5.258 7.333 1.00 74.21 O ATOM 1199 CB GLU A 80 11.214 8.076 7.643 1.00 4.51 C ATOM 1200 CG GLU A 80 10.361 7.171 8.561 1.00 41.51 C ATOM 1201 CD GLU A 80 9.541 7.951 9.598 1.00 73.43 C ATOM 1202 OE1 GLU A 80 8.413 8.372 9.285 1.00 31.31 O ATOM 1203 OE2 GLU A 80 10.024 8.142 10.739 1.00 20.33 O ATOM 0 H GLU A 80 11.184 5.491 6.260 1.00 24.43 H new ATOM 0 HA GLU A 80 12.732 7.999 6.091 1.00 23.13 H new ATOM 0 HB2 GLU A 80 11.800 8.756 8.261 1.00 4.51 H new ATOM 0 HB3 GLU A 80 10.550 8.690 7.035 1.00 4.51 H new ATOM 0 HG2 GLU A 80 9.684 6.578 7.946 1.00 41.51 H new ATOM 0 HG3 GLU A 80 11.017 6.471 9.079 1.00 41.51 H new ATOM 1210 N GLU A 81 13.883 7.132 8.477 1.00 74.14 N ATOM 1211 CA GLU A 81 14.882 6.496 9.374 1.00 1.44 C ATOM 1212 C GLU A 81 16.035 5.841 8.544 1.00 64.43 C ATOM 1213 O GLU A 81 15.982 4.650 8.254 1.00 11.15 O ATOM 1214 CB GLU A 81 14.184 5.476 10.333 1.00 42.15 C ATOM 1215 CG GLU A 81 15.095 4.794 11.372 1.00 10.31 C ATOM 1216 CD GLU A 81 14.327 3.797 12.257 1.00 33.14 C ATOM 1217 OE1 GLU A 81 14.039 2.667 11.792 1.00 1.21 O ATOM 1218 OE2 GLU A 81 13.958 4.150 13.402 1.00 31.41 O ATOM 0 H GLU A 81 13.776 8.133 8.638 1.00 74.14 H new ATOM 0 HA GLU A 81 15.338 7.265 9.998 1.00 1.44 H new ATOM 0 HB2 GLU A 81 13.386 5.994 10.864 1.00 42.15 H new ATOM 0 HB3 GLU A 81 13.714 4.701 9.727 1.00 42.15 H new ATOM 0 HG2 GLU A 81 15.902 4.273 10.858 1.00 10.31 H new ATOM 0 HG3 GLU A 81 15.557 5.554 12.002 1.00 10.31 H new ATOM 1225 N PRO A 82 17.047 6.653 8.085 1.00 72.33 N ATOM 1226 CA PRO A 82 18.186 6.182 7.225 1.00 14.45 C ATOM 1227 C PRO A 82 18.812 4.790 7.615 1.00 74.44 C ATOM 1228 O PRO A 82 18.503 3.784 6.939 1.00 38.34 O ATOM 1229 CB PRO A 82 19.200 7.329 7.401 1.00 25.24 C ATOM 1230 CG PRO A 82 18.349 8.554 7.524 1.00 64.12 C ATOM 1231 CD PRO A 82 17.146 8.122 8.339 1.00 34.30 C ATOM 1232 OXT PRO A 82 19.595 4.710 8.591 1.00 38.34 O ATOM 0 HA PRO A 82 17.860 5.991 6.202 1.00 14.45 H new ATOM 0 HB2 PRO A 82 19.818 7.182 8.287 1.00 25.24 H new ATOM 0 HB3 PRO A 82 19.876 7.397 6.549 1.00 25.24 H new ATOM 0 HG2 PRO A 82 18.890 9.361 8.018 1.00 64.12 H new ATOM 0 HG3 PRO A 82 18.048 8.925 6.544 1.00 64.12 H new ATOM 0 HD2 PRO A 82 17.284 8.336 9.399 1.00 34.30 H new ATOM 0 HD3 PRO A 82 16.242 8.643 8.024 1.00 34.30 H new TER 1240 PRO A 82