USER MOD reduce.3.24.130724 H: found=0, std=0, add=973, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 973 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 94 ASN : amide:sc= -1.66 K(o=-0.78,f=-0.19) USER MOD Set 1.2: A 102 THR OG1 : rot -54:sc= 0.888 USER MOD Set 2.1: A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 143 ASN : amide:sc= -1.29 K(o=-1.3,f=-2.8) USER MOD Set 3.1: A 71 TYR OH : rot 17:sc= -0.629 USER MOD Set 3.2: A 109 SER OG : rot -149:sc= 0.144 USER MOD Set 4.1: A 20 CYS SG : rot -81:sc= 0.336 USER MOD Set 4.2: A 37 MET CE :methyl -134:sc= -0.2 (180deg=-0.751) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 83:sc= 1.18 USER MOD Single : A 25 ASN : amide:sc= -0.188 K(o=-0.19,f=-1.5!) USER MOD Single : A 29 HIS : no HD1:sc= -0.215 X(o=-0.21,f=-0.023) USER MOD Single : A 30 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.31) USER MOD Single : A 31 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.348) USER MOD Single : A 32 SER OG : rot 180:sc= -0.815 USER MOD Single : A 34 TYR OH : rot 180:sc= -2.62! USER MOD Single : A 38 HIS : no HD1:sc= -2.96 K(o=-3,f=-0.63) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot -15:sc= 0.928 USER MOD Single : A 56 ASN : amide:sc= -0.0525 X(o=-0.052,f=-0.3) USER MOD Single : A 59 GLN : amide:sc= -0.0444 X(o=-0.044,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 166:sc= -0.0108 (180deg=-0.217) USER MOD Single : A 67 ASN : amide:sc= -0.694 X(o=-0.69,f=-0.54) USER MOD Single : A 70 CYS SG : rot 175:sc= -0.394 USER MOD Single : A 92 SER OG : rot -143:sc= 1.54 USER MOD Single : A 97 SER OG : rot 41:sc= 0.0529 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 MET CE :methyl -168:sc= 0 (180deg=-0.0592) USER MOD Single : A 106 TYR OH : rot 0:sc= -1.96 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 117 THR OG1 : rot -45:sc= 0.735 USER MOD Single : A 118 GLN : amide:sc= -0.0885 X(o=-0.088,f=-0.45) USER MOD Single : A 121 GLN : amide:sc= -3.17 K(o=-3.2,f=-2.5) USER MOD Single : A 124 GLN : amide:sc= -1.61 K(o=-1.6,f=-4.2!) USER MOD Single : A 126 ASN : amide:sc= -2.16 K(o=-2.2,f=-1.1) USER MOD Single : A 129 SER OG : rot 95:sc= 0.0419 USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0139) USER MOD Single : A 142 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 63 N VAL A 14 -4.935 6.808 -3.419 1.00 53.11 N ATOM 64 CA VAL A 14 -5.219 7.579 -2.215 1.00 12.04 C ATOM 65 C VAL A 14 -4.073 8.529 -1.887 1.00 64.02 C ATOM 66 O VAL A 14 -2.902 8.154 -1.959 1.00 34.12 O ATOM 67 CB VAL A 14 -5.470 6.659 -1.005 1.00 71.33 C ATOM 68 CG1 VAL A 14 -4.190 5.940 -0.606 1.00 52.23 C ATOM 69 CG2 VAL A 14 -6.030 7.456 0.163 1.00 33.30 C ATOM 0 HA VAL A 14 -6.121 8.158 -2.416 1.00 12.04 H new ATOM 0 HB VAL A 14 -6.207 5.908 -1.289 1.00 71.33 H new ATOM 0 HG11 VAL A 14 -4.387 5.295 0.250 1.00 52.23 H new ATOM 0 HG12 VAL A 14 -3.836 5.336 -1.442 1.00 52.23 H new ATOM 0 HG13 VAL A 14 -3.428 6.673 -0.340 1.00 52.23 H new ATOM 0 HG21 VAL A 14 -6.201 6.790 1.009 1.00 33.30 H new ATOM 0 HG22 VAL A 14 -5.319 8.231 0.449 1.00 33.30 H new ATOM 0 HG23 VAL A 14 -6.972 7.919 -0.131 1.00 33.30 H new ATOM 79 N SER A 15 -4.417 9.761 -1.527 1.00 41.30 N ATOM 80 CA SER A 15 -3.416 10.767 -1.191 1.00 51.33 C ATOM 81 C SER A 15 -3.978 11.783 -0.201 1.00 24.22 C ATOM 82 O SER A 15 -5.119 12.226 -0.328 1.00 32.30 O ATOM 83 CB SER A 15 -2.937 11.483 -2.456 1.00 20.50 C ATOM 84 OG SER A 15 -1.542 11.316 -2.639 1.00 24.34 O ATOM 0 H SER A 15 -5.381 10.087 -1.460 1.00 41.30 H new ATOM 0 HA SER A 15 -2.570 10.261 -0.726 1.00 51.33 H new ATOM 0 HB2 SER A 15 -3.470 11.092 -3.323 1.00 20.50 H new ATOM 0 HB3 SER A 15 -3.174 12.545 -2.388 1.00 20.50 H new ATOM 0 HG SER A 15 -1.261 11.781 -3.455 1.00 24.34 H new ATOM 90 N VAL A 16 -3.166 12.148 0.787 1.00 73.30 N ATOM 91 CA VAL A 16 -3.580 13.112 1.800 1.00 71.44 C ATOM 92 C VAL A 16 -3.619 14.525 1.229 1.00 33.04 C ATOM 93 O VAL A 16 -2.615 15.032 0.730 1.00 32.13 O ATOM 94 CB VAL A 16 -2.637 13.087 3.017 1.00 64.12 C ATOM 95 CG1 VAL A 16 -1.197 13.316 2.582 1.00 52.04 C ATOM 96 CG2 VAL A 16 -3.064 14.126 4.043 1.00 62.43 C ATOM 0 H VAL A 16 -2.218 11.791 0.907 1.00 73.30 H new ATOM 0 HA VAL A 16 -4.581 12.825 2.121 1.00 71.44 H new ATOM 0 HB VAL A 16 -2.699 12.103 3.482 1.00 64.12 H new ATOM 0 HG11 VAL A 16 -0.545 13.295 3.455 1.00 52.04 H new ATOM 0 HG12 VAL A 16 -0.898 12.531 1.887 1.00 52.04 H new ATOM 0 HG13 VAL A 16 -1.115 14.286 2.091 1.00 52.04 H new ATOM 0 HG21 VAL A 16 -2.387 14.094 4.896 1.00 62.43 H new ATOM 0 HG22 VAL A 16 -3.033 15.118 3.591 1.00 62.43 H new ATOM 0 HG23 VAL A 16 -4.079 13.911 4.377 1.00 62.43 H new ATOM 106 N ALA A 17 -4.786 15.157 1.308 1.00 60.52 N ATOM 107 CA ALA A 17 -4.956 16.513 0.802 1.00 61.11 C ATOM 108 C ALA A 17 -4.404 17.539 1.786 1.00 75.00 C ATOM 109 O ALA A 17 -4.268 17.260 2.977 1.00 20.32 O ATOM 110 CB ALA A 17 -6.424 16.789 0.516 1.00 54.44 C ATOM 0 H ALA A 17 -5.627 14.751 1.718 1.00 60.52 H new ATOM 0 HA ALA A 17 -4.394 16.601 -0.128 1.00 61.11 H new ATOM 0 HB1 ALA A 17 -6.536 17.805 0.139 1.00 54.44 H new ATOM 0 HB2 ALA A 17 -6.788 16.083 -0.230 1.00 54.44 H new ATOM 0 HB3 ALA A 17 -7.001 16.677 1.434 1.00 54.44 H new ATOM 116 N ASP A 18 -4.089 18.726 1.281 1.00 44.25 N ATOM 117 CA ASP A 18 -3.552 19.794 2.116 1.00 40.53 C ATOM 118 C ASP A 18 -4.459 20.055 3.314 1.00 55.52 C ATOM 119 O ASP A 18 -3.991 20.425 4.390 1.00 62.21 O ATOM 120 CB ASP A 18 -3.386 21.076 1.297 1.00 22.13 C ATOM 121 CG ASP A 18 -2.244 20.985 0.304 1.00 32.50 C ATOM 122 OD1 ASP A 18 -1.076 20.962 0.744 1.00 41.40 O ATOM 123 OD2 ASP A 18 -2.519 20.936 -0.913 1.00 60.15 O ATOM 0 H ASP A 18 -4.196 18.973 0.297 1.00 44.25 H new ATOM 0 HA ASP A 18 -2.576 19.478 2.484 1.00 40.53 H new ATOM 0 HB2 ASP A 18 -4.313 21.285 0.762 1.00 22.13 H new ATOM 0 HB3 ASP A 18 -3.211 21.914 1.971 1.00 22.13 H new ATOM 128 N GLU A 19 -5.760 19.862 3.118 1.00 30.31 N ATOM 129 CA GLU A 19 -6.733 20.078 4.183 1.00 44.32 C ATOM 130 C GLU A 19 -6.466 19.147 5.361 1.00 24.44 C ATOM 131 O GLU A 19 -6.530 19.560 6.520 1.00 74.41 O ATOM 132 CB GLU A 19 -8.153 19.861 3.658 1.00 33.30 C ATOM 133 CG GLU A 19 -8.370 18.491 3.037 1.00 23.34 C ATOM 134 CD GLU A 19 -9.013 17.510 3.998 1.00 23.25 C ATOM 135 OE1 GLU A 19 -9.869 17.938 4.799 1.00 15.25 O ATOM 136 OE2 GLU A 19 -8.659 16.313 3.949 1.00 43.11 O ATOM 0 H GLU A 19 -6.164 19.557 2.233 1.00 30.31 H new ATOM 0 HA GLU A 19 -6.634 21.108 4.527 1.00 44.32 H new ATOM 0 HB2 GLU A 19 -8.859 19.995 4.478 1.00 33.30 H new ATOM 0 HB3 GLU A 19 -8.378 20.627 2.916 1.00 33.30 H new ATOM 0 HG2 GLU A 19 -8.999 18.593 2.153 1.00 23.34 H new ATOM 0 HG3 GLU A 19 -7.412 18.092 2.703 1.00 23.34 H new ATOM 143 N CYS A 20 -6.166 17.889 5.057 1.00 33.33 N ATOM 144 CA CYS A 20 -5.891 16.897 6.091 1.00 62.02 C ATOM 145 C CYS A 20 -4.597 17.225 6.828 1.00 3.32 C ATOM 146 O CYS A 20 -4.529 17.138 8.054 1.00 20.33 O ATOM 147 CB CYS A 20 -5.801 15.500 5.475 1.00 22.12 C ATOM 148 SG CYS A 20 -7.131 14.384 5.980 1.00 62.21 S ATOM 0 H CYS A 20 -6.107 17.532 4.103 1.00 33.33 H new ATOM 0 HA CYS A 20 -6.712 16.918 6.808 1.00 62.02 H new ATOM 0 HB2 CYS A 20 -5.811 15.592 4.389 1.00 22.12 H new ATOM 0 HB3 CYS A 20 -4.844 15.055 5.748 1.00 22.12 H new ATOM 0 HG CYS A 20 -6.855 13.880 7.146 1.00 62.21 H new ATOM 154 N VAL A 21 -3.570 17.602 6.072 1.00 13.44 N ATOM 155 CA VAL A 21 -2.277 17.943 6.654 1.00 54.42 C ATOM 156 C VAL A 21 -2.408 19.091 7.649 1.00 43.24 C ATOM 157 O VAL A 21 -1.941 19.000 8.785 1.00 75.52 O ATOM 158 CB VAL A 21 -1.259 18.334 5.567 1.00 44.04 C ATOM 159 CG1 VAL A 21 0.127 18.504 6.170 1.00 64.33 C ATOM 160 CG2 VAL A 21 -1.242 17.296 4.455 1.00 61.30 C ATOM 0 H VAL A 21 -3.609 17.679 5.056 1.00 13.44 H new ATOM 0 HA VAL A 21 -1.919 17.054 7.174 1.00 54.42 H new ATOM 0 HB VAL A 21 -1.562 19.289 5.137 1.00 44.04 H new ATOM 0 HG11 VAL A 21 0.833 18.780 5.387 1.00 64.33 H new ATOM 0 HG12 VAL A 21 0.101 19.287 6.928 1.00 64.33 H new ATOM 0 HG13 VAL A 21 0.442 17.566 6.628 1.00 64.33 H new ATOM 0 HG21 VAL A 21 -0.517 17.588 3.695 1.00 61.30 H new ATOM 0 HG22 VAL A 21 -0.965 16.326 4.867 1.00 61.30 H new ATOM 0 HG23 VAL A 21 -2.232 17.229 4.005 1.00 61.30 H new ATOM 170 N THR A 22 -3.046 20.174 7.215 1.00 62.24 N ATOM 171 CA THR A 22 -3.238 21.341 8.066 1.00 25.23 C ATOM 172 C THR A 22 -4.106 21.004 9.273 1.00 54.23 C ATOM 173 O THR A 22 -3.835 21.448 10.388 1.00 53.20 O ATOM 174 CB THR A 22 -3.885 22.503 7.290 1.00 71.23 C ATOM 175 OG1 THR A 22 -3.385 22.534 5.948 1.00 11.43 O ATOM 176 CG2 THR A 22 -3.604 23.833 7.972 1.00 34.15 C ATOM 0 H THR A 22 -3.439 20.266 6.278 1.00 62.24 H new ATOM 0 HA THR A 22 -2.250 21.649 8.407 1.00 25.23 H new ATOM 0 HB THR A 22 -4.963 22.343 7.272 1.00 71.23 H new ATOM 0 HG1 THR A 22 -3.882 21.893 5.399 1.00 11.43 H new ATOM 0 HG21 THR A 22 -4.071 24.638 7.405 1.00 34.15 H new ATOM 0 HG22 THR A 22 -4.011 23.817 8.983 1.00 34.15 H new ATOM 0 HG23 THR A 22 -2.528 23.998 8.017 1.00 34.15 H new ATOM 184 N ALA A 23 -5.152 20.216 9.042 1.00 5.40 N ATOM 185 CA ALA A 23 -6.059 19.818 10.111 1.00 3.12 C ATOM 186 C ALA A 23 -5.310 19.094 11.225 1.00 11.01 C ATOM 187 O ALA A 23 -5.520 19.367 12.408 1.00 73.13 O ATOM 188 CB ALA A 23 -7.170 18.937 9.560 1.00 63.22 C ATOM 0 H ALA A 23 -5.392 19.841 8.124 1.00 5.40 H new ATOM 0 HA ALA A 23 -6.502 20.720 10.533 1.00 3.12 H new ATOM 0 HB1 ALA A 23 -7.840 18.647 10.370 1.00 63.22 H new ATOM 0 HB2 ALA A 23 -7.731 19.488 8.805 1.00 63.22 H new ATOM 0 HB3 ALA A 23 -6.737 18.044 9.110 1.00 63.22 H new ATOM 194 N LEU A 24 -4.437 18.170 10.841 1.00 63.13 N ATOM 195 CA LEU A 24 -3.657 17.405 11.808 1.00 44.33 C ATOM 196 C LEU A 24 -2.633 18.295 12.507 1.00 75.40 C ATOM 197 O LEU A 24 -2.418 18.179 13.713 1.00 43.44 O ATOM 198 CB LEU A 24 -2.948 16.241 11.114 1.00 65.11 C ATOM 199 CG LEU A 24 -3.851 15.228 10.410 1.00 34.14 C ATOM 200 CD1 LEU A 24 -3.076 14.471 9.343 1.00 40.50 C ATOM 201 CD2 LEU A 24 -4.455 14.261 11.419 1.00 54.51 C ATOM 0 H LEU A 24 -4.251 17.932 9.867 1.00 63.13 H new ATOM 0 HA LEU A 24 -4.341 17.010 12.559 1.00 44.33 H new ATOM 0 HB2 LEU A 24 -2.254 16.650 10.380 1.00 65.11 H new ATOM 0 HB3 LEU A 24 -2.351 15.711 11.856 1.00 65.11 H new ATOM 0 HG LEU A 24 -4.662 15.770 9.924 1.00 34.14 H new ATOM 0 HD11 LEU A 24 -3.736 13.755 8.853 1.00 40.50 H new ATOM 0 HD12 LEU A 24 -2.692 15.175 8.604 1.00 40.50 H new ATOM 0 HD13 LEU A 24 -2.244 13.940 9.805 1.00 40.50 H new ATOM 0 HD21 LEU A 24 -5.095 13.547 10.901 1.00 54.51 H new ATOM 0 HD22 LEU A 24 -3.657 13.726 11.933 1.00 54.51 H new ATOM 0 HD23 LEU A 24 -5.047 14.817 12.147 1.00 54.51 H new ATOM 213 N ASN A 25 -2.008 19.183 11.742 1.00 62.15 N ATOM 214 CA ASN A 25 -1.008 20.094 12.288 1.00 34.52 C ATOM 215 C ASN A 25 -1.599 20.938 13.413 1.00 54.22 C ATOM 216 O ASN A 25 -0.991 21.094 14.472 1.00 44.25 O ATOM 217 CB ASN A 25 -0.460 21.003 11.187 1.00 62.34 C ATOM 218 CG ASN A 25 0.789 20.437 10.539 1.00 42.03 C ATOM 219 OD1 ASN A 25 1.580 19.749 11.185 1.00 51.24 O ATOM 220 ND2 ASN A 25 0.972 20.725 9.255 1.00 2.44 N ATOM 0 H ASN A 25 -2.176 19.292 10.742 1.00 62.15 H new ATOM 0 HA ASN A 25 -0.192 19.497 12.695 1.00 34.52 H new ATOM 0 HB2 ASN A 25 -1.226 21.150 10.426 1.00 62.34 H new ATOM 0 HB3 ASN A 25 -0.236 21.984 11.607 1.00 62.34 H new ATOM 0 HD21 ASN A 25 1.794 20.372 8.765 1.00 2.44 H new ATOM 0 HD22 ASN A 25 0.290 21.299 8.759 1.00 2.44 H new ATOM 227 N ASP A 26 -2.789 21.480 13.176 1.00 42.24 N ATOM 228 CA ASP A 26 -3.464 22.308 14.169 1.00 64.22 C ATOM 229 C ASP A 26 -3.972 21.458 15.329 1.00 13.11 C ATOM 230 O ASP A 26 -3.891 21.861 16.490 1.00 14.42 O ATOM 231 CB ASP A 26 -4.627 23.066 13.527 1.00 61.40 C ATOM 232 CG ASP A 26 -4.576 24.554 13.812 1.00 61.32 C ATOM 233 OD1 ASP A 26 -4.026 24.937 14.865 1.00 44.21 O ATOM 234 OD2 ASP A 26 -5.087 25.335 12.982 1.00 71.10 O ATOM 0 H ASP A 26 -3.306 21.361 12.305 1.00 42.24 H new ATOM 0 HA ASP A 26 -2.743 23.027 14.558 1.00 64.22 H new ATOM 0 HB2 ASP A 26 -4.611 22.905 12.449 1.00 61.40 H new ATOM 0 HB3 ASP A 26 -5.569 22.660 13.896 1.00 61.40 H new ATOM 239 N LEU A 27 -4.497 20.281 15.008 1.00 74.12 N ATOM 240 CA LEU A 27 -5.021 19.374 16.023 1.00 23.24 C ATOM 241 C LEU A 27 -3.963 19.069 17.079 1.00 3.51 C ATOM 242 O LEU A 27 -4.247 19.077 18.277 1.00 62.51 O ATOM 243 CB LEU A 27 -5.500 18.074 15.376 1.00 71.53 C ATOM 244 CG LEU A 27 -6.087 17.028 16.324 1.00 35.13 C ATOM 245 CD1 LEU A 27 -7.250 17.614 17.111 1.00 62.22 C ATOM 246 CD2 LEU A 27 -6.532 15.796 15.550 1.00 32.42 C ATOM 0 H LEU A 27 -4.571 19.932 14.052 1.00 74.12 H new ATOM 0 HA LEU A 27 -5.865 19.863 16.510 1.00 23.24 H new ATOM 0 HB2 LEU A 27 -6.253 18.320 14.628 1.00 71.53 H new ATOM 0 HB3 LEU A 27 -4.660 17.624 14.846 1.00 71.53 H new ATOM 0 HG LEU A 27 -5.311 16.729 17.029 1.00 35.13 H new ATOM 0 HD11 LEU A 27 -7.655 16.855 17.780 1.00 62.22 H new ATOM 0 HD12 LEU A 27 -6.901 18.465 17.696 1.00 62.22 H new ATOM 0 HD13 LEU A 27 -8.028 17.942 16.421 1.00 62.22 H new ATOM 0 HD21 LEU A 27 -6.947 15.062 16.241 1.00 32.42 H new ATOM 0 HD22 LEU A 27 -7.292 16.079 14.821 1.00 32.42 H new ATOM 0 HD23 LEU A 27 -5.676 15.363 15.032 1.00 32.42 H new ATOM 258 N ARG A 28 -2.742 18.805 16.626 1.00 25.34 N ATOM 259 CA ARG A 28 -1.641 18.499 17.532 1.00 44.11 C ATOM 260 C ARG A 28 -1.328 19.692 18.430 1.00 13.43 C ATOM 261 O ARG A 28 -0.786 19.534 19.524 1.00 5.13 O ATOM 262 CB ARG A 28 -0.394 18.105 16.738 1.00 23.42 C ATOM 263 CG ARG A 28 0.532 19.272 16.439 1.00 44.11 C ATOM 264 CD ARG A 28 1.332 19.037 15.167 1.00 53.23 C ATOM 265 NE ARG A 28 2.726 18.708 15.449 1.00 2.34 N ATOM 266 CZ ARG A 28 3.621 19.597 15.866 1.00 41.32 C ATOM 267 NH1 ARG A 28 3.269 20.862 16.047 1.00 13.53 N ATOM 268 NH2 ARG A 28 4.871 19.221 16.102 1.00 45.10 N ATOM 0 H ARG A 28 -2.490 18.797 15.638 1.00 25.34 H new ATOM 0 HA ARG A 28 -1.943 17.662 18.161 1.00 44.11 H new ATOM 0 HB2 ARG A 28 0.158 17.348 17.296 1.00 23.42 H new ATOM 0 HB3 ARG A 28 -0.702 17.647 15.798 1.00 23.42 H new ATOM 0 HG2 ARG A 28 -0.054 20.186 16.338 1.00 44.11 H new ATOM 0 HG3 ARG A 28 1.214 19.421 17.276 1.00 44.11 H new ATOM 0 HD2 ARG A 28 0.877 18.227 14.597 1.00 53.23 H new ATOM 0 HD3 ARG A 28 1.290 19.929 14.542 1.00 53.23 H new ATOM 0 HE ARG A 28 3.029 17.743 15.319 1.00 2.34 H new ATOM 0 HH11 ARG A 28 2.309 21.155 15.866 1.00 13.53 H new ATOM 0 HH12 ARG A 28 3.958 21.542 16.367 1.00 13.53 H new ATOM 0 HH21 ARG A 28 5.146 18.249 15.963 1.00 45.10 H new ATOM 0 HH22 ARG A 28 5.557 19.904 16.422 1.00 45.10 H new ATOM 282 N HIS A 29 -1.674 20.887 17.961 1.00 74.24 N ATOM 283 CA HIS A 29 -1.431 22.107 18.721 1.00 11.33 C ATOM 284 C HIS A 29 -2.661 22.493 19.538 1.00 60.23 C ATOM 285 O HIS A 29 -2.815 23.645 19.942 1.00 3.43 O ATOM 286 CB HIS A 29 -1.049 23.251 17.782 1.00 51.42 C ATOM 287 CG HIS A 29 0.178 23.995 18.211 1.00 24.51 C ATOM 288 ND1 HIS A 29 1.027 24.623 17.324 1.00 74.20 N ATOM 289 CD2 HIS A 29 0.698 24.209 19.442 1.00 11.34 C ATOM 290 CE1 HIS A 29 2.016 25.190 17.991 1.00 53.52 C ATOM 291 NE2 HIS A 29 1.839 24.955 19.278 1.00 25.24 N ATOM 0 H HIS A 29 -2.124 21.036 17.058 1.00 74.24 H new ATOM 0 HA HIS A 29 -0.605 21.919 19.407 1.00 11.33 H new ATOM 0 HB2 HIS A 29 -0.889 22.850 16.781 1.00 51.42 H new ATOM 0 HB3 HIS A 29 -1.883 23.950 17.716 1.00 51.42 H new ATOM 0 HD2 HIS A 29 0.291 23.858 20.379 1.00 11.34 H new ATOM 0 HE1 HIS A 29 2.831 25.751 17.557 1.00 53.52 H new ATOM 0 HE2 HIS A 29 2.451 25.276 20.029 1.00 25.24 H new ATOM 299 N LYS A 30 -3.535 21.521 19.776 1.00 13.10 N ATOM 300 CA LYS A 30 -4.752 21.757 20.544 1.00 1.23 C ATOM 301 C LYS A 30 -5.650 22.771 19.843 1.00 74.34 C ATOM 302 O LYS A 30 -6.159 23.702 20.467 1.00 73.11 O ATOM 303 CB LYS A 30 -4.404 22.255 21.949 1.00 20.31 C ATOM 304 CG LYS A 30 -3.294 21.462 22.617 1.00 0.24 C ATOM 305 CD LYS A 30 -3.150 21.832 24.084 1.00 32.12 C ATOM 306 CE LYS A 30 -4.119 21.046 24.955 1.00 52.44 C ATOM 307 NZ LYS A 30 -5.308 21.859 25.333 1.00 33.02 N ATOM 0 H LYS A 30 -3.423 20.562 19.448 1.00 13.10 H new ATOM 0 HA LYS A 30 -5.291 20.813 20.622 1.00 1.23 H new ATOM 0 HB2 LYS A 30 -4.107 23.302 21.891 1.00 20.31 H new ATOM 0 HB3 LYS A 30 -5.297 22.211 22.573 1.00 20.31 H new ATOM 0 HG2 LYS A 30 -3.503 20.396 22.528 1.00 0.24 H new ATOM 0 HG3 LYS A 30 -2.352 21.646 22.100 1.00 0.24 H new ATOM 0 HD2 LYS A 30 -2.128 21.640 24.410 1.00 32.12 H new ATOM 0 HD3 LYS A 30 -3.329 22.900 24.210 1.00 32.12 H new ATOM 0 HE2 LYS A 30 -4.444 20.153 24.422 1.00 52.44 H new ATOM 0 HE3 LYS A 30 -3.607 20.710 25.857 1.00 52.44 H new ATOM 0 HZ1 LYS A 30 -5.702 21.502 26.227 1.00 33.02 H new ATOM 0 HZ2 LYS A 30 -5.026 22.853 25.451 1.00 33.02 H new ATOM 0 HZ3 LYS A 30 -6.028 21.790 24.585 1.00 33.02 H new ATOM 321 N LYS A 31 -5.843 22.583 18.541 1.00 23.04 N ATOM 322 CA LYS A 31 -6.682 23.479 17.754 1.00 31.45 C ATOM 323 C LYS A 31 -8.142 23.372 18.183 1.00 52.22 C ATOM 324 O LYS A 31 -8.750 24.358 18.599 1.00 53.32 O ATOM 325 CB LYS A 31 -6.552 23.155 16.264 1.00 2.14 C ATOM 326 CG LYS A 31 -7.494 23.956 15.383 1.00 14.53 C ATOM 327 CD LYS A 31 -8.407 23.050 14.574 1.00 11.32 C ATOM 328 CE LYS A 31 -8.580 23.560 13.152 1.00 61.14 C ATOM 329 NZ LYS A 31 -9.699 22.873 12.448 1.00 5.04 N ATOM 0 H LYS A 31 -5.429 21.818 18.009 1.00 23.04 H new ATOM 0 HA LYS A 31 -6.344 24.501 17.928 1.00 31.45 H new ATOM 0 HB2 LYS A 31 -5.526 23.342 15.948 1.00 2.14 H new ATOM 0 HB3 LYS A 31 -6.743 22.092 16.114 1.00 2.14 H new ATOM 0 HG2 LYS A 31 -8.096 24.621 16.003 1.00 14.53 H new ATOM 0 HG3 LYS A 31 -6.915 24.586 14.708 1.00 14.53 H new ATOM 0 HD2 LYS A 31 -7.994 22.041 14.552 1.00 11.32 H new ATOM 0 HD3 LYS A 31 -9.381 22.986 15.060 1.00 11.32 H new ATOM 0 HE2 LYS A 31 -8.768 24.633 13.172 1.00 61.14 H new ATOM 0 HE3 LYS A 31 -7.654 23.409 12.597 1.00 61.14 H new ATOM 0 HZ1 LYS A 31 -10.030 23.466 11.661 1.00 5.04 H new ATOM 0 HZ2 LYS A 31 -9.367 21.960 12.077 1.00 5.04 H new ATOM 0 HZ3 LYS A 31 -10.482 22.713 13.114 1.00 5.04 H new ATOM 343 N SER A 32 -8.698 22.169 18.079 1.00 14.44 N ATOM 344 CA SER A 32 -10.088 21.935 18.454 1.00 51.10 C ATOM 345 C SER A 32 -10.186 20.862 19.534 1.00 10.33 C ATOM 346 O SER A 32 -10.359 21.168 20.714 1.00 5.13 O ATOM 347 CB SER A 32 -10.905 21.518 17.230 1.00 51.14 C ATOM 348 OG SER A 32 -10.060 21.119 16.164 1.00 30.35 O ATOM 0 H SER A 32 -8.208 21.342 17.738 1.00 14.44 H new ATOM 0 HA SER A 32 -10.493 22.865 18.853 1.00 51.10 H new ATOM 0 HB2 SER A 32 -11.572 20.698 17.496 1.00 51.14 H new ATOM 0 HB3 SER A 32 -11.534 22.348 16.909 1.00 51.14 H new ATOM 0 HG SER A 32 -10.607 20.856 15.394 1.00 30.35 H new ATOM 354 N ARG A 33 -10.075 19.604 19.122 1.00 63.15 N ATOM 355 CA ARG A 33 -10.152 18.485 20.053 1.00 61.34 C ATOM 356 C ARG A 33 -10.026 17.155 19.316 1.00 70.45 C ATOM 357 O ARG A 33 -9.180 16.325 19.651 1.00 52.12 O ATOM 358 CB ARG A 33 -11.470 18.528 20.827 1.00 13.02 C ATOM 359 CG ARG A 33 -11.310 18.276 22.318 1.00 43.54 C ATOM 360 CD ARG A 33 -10.501 19.378 22.985 1.00 52.35 C ATOM 361 NE ARG A 33 -10.430 19.204 24.433 1.00 44.42 N ATOM 362 CZ ARG A 33 -9.668 19.950 25.226 1.00 60.13 C ATOM 363 NH1 ARG A 33 -8.917 20.915 24.713 1.00 13.22 N ATOM 364 NH2 ARG A 33 -9.657 19.731 26.534 1.00 23.14 N ATOM 0 H ARG A 33 -9.931 19.334 18.149 1.00 63.15 H new ATOM 0 HA ARG A 33 -9.323 18.572 20.755 1.00 61.34 H new ATOM 0 HB2 ARG A 33 -11.936 19.502 20.680 1.00 13.02 H new ATOM 0 HB3 ARG A 33 -12.150 17.783 20.412 1.00 13.02 H new ATOM 0 HG2 ARG A 33 -12.293 18.211 22.785 1.00 43.54 H new ATOM 0 HG3 ARG A 33 -10.818 17.316 22.475 1.00 43.54 H new ATOM 0 HD2 ARG A 33 -9.493 19.389 22.571 1.00 52.35 H new ATOM 0 HD3 ARG A 33 -10.949 20.345 22.758 1.00 52.35 H new ATOM 0 HE ARG A 33 -10.996 18.470 24.859 1.00 44.42 H new ATOM 0 HH11 ARG A 33 -8.923 21.086 23.707 1.00 13.22 H new ATOM 0 HH12 ARG A 33 -8.333 21.486 25.324 1.00 13.22 H new ATOM 0 HH21 ARG A 33 -10.234 18.990 26.932 1.00 23.14 H new ATOM 0 HH22 ARG A 33 -9.072 20.304 27.142 1.00 23.14 H new ATOM 378 N TYR A 34 -10.873 16.959 18.311 1.00 21.52 N ATOM 379 CA TYR A 34 -10.859 15.728 17.529 1.00 43.34 C ATOM 380 C TYR A 34 -11.043 16.025 16.043 1.00 2.35 C ATOM 381 O TYR A 34 -11.858 16.866 15.663 1.00 65.03 O ATOM 382 CB TYR A 34 -11.958 14.780 18.010 1.00 23.25 C ATOM 383 CG TYR A 34 -11.637 13.319 17.788 1.00 21.05 C ATOM 384 CD1 TYR A 34 -11.556 12.792 16.505 1.00 11.25 C ATOM 385 CD2 TYR A 34 -11.414 12.466 18.862 1.00 22.33 C ATOM 386 CE1 TYR A 34 -11.264 11.458 16.298 1.00 31.03 C ATOM 387 CE2 TYR A 34 -11.120 11.130 18.664 1.00 2.44 C ATOM 388 CZ TYR A 34 -11.047 10.631 17.381 1.00 44.33 C ATOM 389 OH TYR A 34 -10.754 9.302 17.178 1.00 30.14 O ATOM 0 H TYR A 34 -11.577 17.636 18.019 1.00 21.52 H new ATOM 0 HA TYR A 34 -9.890 15.250 17.669 1.00 43.34 H new ATOM 0 HB2 TYR A 34 -12.131 14.948 19.073 1.00 23.25 H new ATOM 0 HB3 TYR A 34 -12.887 15.022 17.493 1.00 23.25 H new ATOM 0 HD1 TYR A 34 -11.724 13.437 15.655 1.00 11.25 H new ATOM 0 HD2 TYR A 34 -11.471 12.853 19.868 1.00 22.33 H new ATOM 0 HE1 TYR A 34 -11.206 11.064 15.294 1.00 31.03 H new ATOM 0 HE2 TYR A 34 -10.948 10.481 19.510 1.00 2.44 H new ATOM 0 HH TYR A 34 -10.628 8.859 18.043 1.00 30.14 H new ATOM 399 N VAL A 35 -10.279 15.328 15.208 1.00 33.22 N ATOM 400 CA VAL A 35 -10.358 15.514 13.764 1.00 30.12 C ATOM 401 C VAL A 35 -10.491 14.177 13.044 1.00 35.23 C ATOM 402 O VAL A 35 -9.583 13.346 13.083 1.00 13.13 O ATOM 403 CB VAL A 35 -9.119 16.253 13.225 1.00 10.33 C ATOM 404 CG1 VAL A 35 -9.219 16.434 11.718 1.00 5.33 C ATOM 405 CG2 VAL A 35 -8.955 17.596 13.922 1.00 32.41 C ATOM 0 H VAL A 35 -9.598 14.629 15.507 1.00 33.22 H new ATOM 0 HA VAL A 35 -11.245 16.117 13.571 1.00 30.12 H new ATOM 0 HB VAL A 35 -8.236 15.649 13.437 1.00 10.33 H new ATOM 0 HG11 VAL A 35 -8.335 16.958 11.355 1.00 5.33 H new ATOM 0 HG12 VAL A 35 -9.285 15.458 11.238 1.00 5.33 H new ATOM 0 HG13 VAL A 35 -10.109 17.016 11.480 1.00 5.33 H new ATOM 0 HG21 VAL A 35 -8.075 18.105 13.529 1.00 32.41 H new ATOM 0 HG22 VAL A 35 -9.838 18.209 13.743 1.00 32.41 H new ATOM 0 HG23 VAL A 35 -8.834 17.437 14.994 1.00 32.41 H new ATOM 415 N ILE A 36 -11.629 13.976 12.387 1.00 23.22 N ATOM 416 CA ILE A 36 -11.880 12.740 11.657 1.00 72.23 C ATOM 417 C ILE A 36 -11.897 12.985 10.152 1.00 73.54 C ATOM 418 O ILE A 36 -12.475 13.963 9.678 1.00 23.23 O ATOM 419 CB ILE A 36 -13.217 12.100 12.077 1.00 65.44 C ATOM 420 CG1 ILE A 36 -13.200 11.766 13.570 1.00 73.13 C ATOM 421 CG2 ILE A 36 -13.487 10.850 11.252 1.00 55.21 C ATOM 422 CD1 ILE A 36 -14.531 11.274 14.093 1.00 33.43 C ATOM 0 H ILE A 36 -12.391 14.653 12.346 1.00 23.22 H new ATOM 0 HA ILE A 36 -11.067 12.057 11.903 1.00 72.23 H new ATOM 0 HB ILE A 36 -14.020 12.814 11.893 1.00 65.44 H new ATOM 0 HG12 ILE A 36 -12.442 11.005 13.755 1.00 73.13 H new ATOM 0 HG13 ILE A 36 -12.904 12.653 14.129 1.00 73.13 H new ATOM 0 HG21 ILE A 36 -14.435 10.409 11.560 1.00 55.21 H new ATOM 0 HG22 ILE A 36 -13.536 11.115 10.196 1.00 55.21 H new ATOM 0 HG23 ILE A 36 -12.684 10.130 11.409 1.00 55.21 H new ATOM 0 HD11 ILE A 36 -14.446 11.056 15.158 1.00 33.43 H new ATOM 0 HD12 ILE A 36 -15.289 12.042 13.939 1.00 33.43 H new ATOM 0 HD13 ILE A 36 -14.819 10.368 13.560 1.00 33.43 H new ATOM 434 N MET A 37 -11.262 12.088 9.405 1.00 64.24 N ATOM 435 CA MET A 37 -11.207 12.205 7.952 1.00 25.11 C ATOM 436 C MET A 37 -11.490 10.861 7.287 1.00 5.52 C ATOM 437 O MET A 37 -11.300 9.806 7.892 1.00 23.14 O ATOM 438 CB MET A 37 -9.837 12.726 7.513 1.00 40.24 C ATOM 439 CG MET A 37 -8.704 11.744 7.763 1.00 71.04 C ATOM 440 SD MET A 37 -7.526 12.340 8.990 1.00 1.53 S ATOM 441 CE MET A 37 -6.003 11.629 8.372 1.00 41.14 C ATOM 0 H MET A 37 -10.779 11.272 9.781 1.00 64.24 H new ATOM 0 HA MET A 37 -11.974 12.913 7.640 1.00 25.11 H new ATOM 0 HB2 MET A 37 -9.872 12.965 6.450 1.00 40.24 H new ATOM 0 HB3 MET A 37 -9.625 13.655 8.042 1.00 40.24 H new ATOM 0 HG2 MET A 37 -9.120 10.793 8.096 1.00 71.04 H new ATOM 0 HG3 MET A 37 -8.181 11.553 6.826 1.00 71.04 H new ATOM 0 HE1 MET A 37 -5.453 11.174 9.196 1.00 41.14 H new ATOM 0 HE2 MET A 37 -6.233 10.869 7.626 1.00 41.14 H new ATOM 0 HE3 MET A 37 -5.394 12.411 7.918 1.00 41.14 H new ATOM 451 N HIS A 38 -11.945 10.908 6.039 1.00 23.02 N ATOM 452 CA HIS A 38 -12.254 9.694 5.292 1.00 25.23 C ATOM 453 C HIS A 38 -11.707 9.777 3.870 1.00 32.12 C ATOM 454 O HIS A 38 -11.405 10.863 3.374 1.00 71.52 O ATOM 455 CB HIS A 38 -13.764 9.461 5.258 1.00 53.31 C ATOM 456 CG HIS A 38 -14.497 10.415 4.365 1.00 1.13 C ATOM 457 ND1 HIS A 38 -15.347 10.004 3.361 1.00 71.24 N ATOM 458 CD2 HIS A 38 -14.504 11.768 4.332 1.00 52.33 C ATOM 459 CE1 HIS A 38 -15.844 11.062 2.747 1.00 52.55 C ATOM 460 NE2 HIS A 38 -15.349 12.146 3.317 1.00 22.10 N ATOM 0 H HIS A 38 -12.108 11.773 5.524 1.00 23.02 H new ATOM 0 HA HIS A 38 -11.776 8.855 5.797 1.00 25.23 H new ATOM 0 HB2 HIS A 38 -13.959 8.442 4.925 1.00 53.31 H new ATOM 0 HB3 HIS A 38 -14.160 9.547 6.270 1.00 53.31 H new ATOM 0 HD2 HIS A 38 -13.949 12.428 4.982 1.00 52.33 H new ATOM 0 HE1 HIS A 38 -16.537 11.044 1.919 1.00 52.55 H new ATOM 0 HE2 HIS A 38 -15.560 13.107 3.047 1.00 22.10 H new ATOM 468 N ILE A 39 -11.582 8.624 3.221 1.00 15.22 N ATOM 469 CA ILE A 39 -11.073 8.568 1.857 1.00 61.43 C ATOM 470 C ILE A 39 -12.191 8.787 0.843 1.00 44.21 C ATOM 471 O ILE A 39 -13.222 8.116 0.884 1.00 24.31 O ATOM 472 CB ILE A 39 -10.390 7.218 1.566 1.00 4.25 C ATOM 473 CG1 ILE A 39 -9.228 6.991 2.536 1.00 34.35 C ATOM 474 CG2 ILE A 39 -9.901 7.171 0.126 1.00 31.15 C ATOM 475 CD1 ILE A 39 -8.486 5.695 2.296 1.00 5.14 C ATOM 0 H ILE A 39 -11.826 7.717 3.618 1.00 15.22 H new ATOM 0 HA ILE A 39 -10.338 9.367 1.762 1.00 61.43 H new ATOM 0 HB ILE A 39 -11.119 6.420 1.708 1.00 4.25 H new ATOM 0 HG12 ILE A 39 -8.528 7.822 2.452 1.00 34.35 H new ATOM 0 HG13 ILE A 39 -9.611 6.998 3.557 1.00 34.35 H new ATOM 0 HG21 ILE A 39 -9.421 6.211 -0.064 1.00 31.15 H new ATOM 0 HG22 ILE A 39 -10.747 7.293 -0.550 1.00 31.15 H new ATOM 0 HG23 ILE A 39 -9.184 7.975 -0.041 1.00 31.15 H new ATOM 0 HD11 ILE A 39 -7.676 5.600 3.019 1.00 5.14 H new ATOM 0 HD12 ILE A 39 -9.173 4.856 2.408 1.00 5.14 H new ATOM 0 HD13 ILE A 39 -8.073 5.693 1.287 1.00 5.14 H new ATOM 487 N VAL A 40 -11.978 9.731 -0.069 1.00 14.25 N ATOM 488 CA VAL A 40 -12.966 10.038 -1.096 1.00 35.11 C ATOM 489 C VAL A 40 -12.475 9.613 -2.475 1.00 52.01 C ATOM 490 O VAL A 40 -11.324 9.857 -2.838 1.00 32.22 O ATOM 491 CB VAL A 40 -13.300 11.541 -1.123 1.00 13.34 C ATOM 492 CG1 VAL A 40 -14.469 11.812 -2.058 1.00 2.51 C ATOM 493 CG2 VAL A 40 -13.602 12.045 0.281 1.00 72.41 C ATOM 0 H VAL A 40 -11.130 10.296 -0.117 1.00 14.25 H new ATOM 0 HA VAL A 40 -13.867 9.478 -0.845 1.00 35.11 H new ATOM 0 HB VAL A 40 -12.432 12.081 -1.500 1.00 13.34 H new ATOM 0 HG11 VAL A 40 -14.690 12.879 -2.064 1.00 2.51 H new ATOM 0 HG12 VAL A 40 -14.211 11.489 -3.067 1.00 2.51 H new ATOM 0 HG13 VAL A 40 -15.345 11.262 -1.714 1.00 2.51 H new ATOM 0 HG21 VAL A 40 -13.836 13.109 0.243 1.00 72.41 H new ATOM 0 HG22 VAL A 40 -14.454 11.500 0.688 1.00 72.41 H new ATOM 0 HG23 VAL A 40 -12.733 11.887 0.919 1.00 72.41 H new ATOM 503 N ASP A 41 -13.355 8.977 -3.240 1.00 73.23 N ATOM 504 CA ASP A 41 -13.012 8.519 -4.582 1.00 31.24 C ATOM 505 C ASP A 41 -11.789 7.607 -4.548 1.00 53.33 C ATOM 506 O ASP A 41 -11.081 7.467 -5.545 1.00 12.30 O ATOM 507 CB ASP A 41 -12.748 9.713 -5.500 1.00 14.33 C ATOM 508 CG ASP A 41 -13.444 9.578 -6.840 1.00 12.22 C ATOM 509 OD1 ASP A 41 -12.835 9.010 -7.770 1.00 72.53 O ATOM 510 OD2 ASP A 41 -14.598 10.040 -6.958 1.00 11.41 O ATOM 0 H ASP A 41 -14.311 8.767 -2.954 1.00 73.23 H new ATOM 0 HA ASP A 41 -13.856 7.951 -4.973 1.00 31.24 H new ATOM 0 HB2 ASP A 41 -13.085 10.626 -5.009 1.00 14.33 H new ATOM 0 HB3 ASP A 41 -11.675 9.814 -5.660 1.00 14.33 H new ATOM 515 N GLN A 42 -11.548 6.991 -3.396 1.00 1.45 N ATOM 516 CA GLN A 42 -10.409 6.095 -3.233 1.00 14.03 C ATOM 517 C GLN A 42 -9.181 6.639 -3.954 1.00 42.01 C ATOM 518 O GLN A 42 -8.438 5.890 -4.589 1.00 25.05 O ATOM 519 CB GLN A 42 -10.751 4.701 -3.762 1.00 41.22 C ATOM 520 CG GLN A 42 -11.026 4.669 -5.257 1.00 35.22 C ATOM 521 CD GLN A 42 -10.910 3.275 -5.842 1.00 34.04 C ATOM 522 OE1 GLN A 42 -9.887 2.608 -5.688 1.00 43.11 O ATOM 523 NE2 GLN A 42 -11.962 2.827 -6.517 1.00 32.41 N ATOM 0 H GLN A 42 -12.126 7.096 -2.562 1.00 1.45 H new ATOM 0 HA GLN A 42 -10.181 6.026 -2.169 1.00 14.03 H new ATOM 0 HB2 GLN A 42 -9.927 4.024 -3.538 1.00 41.22 H new ATOM 0 HB3 GLN A 42 -11.626 4.325 -3.232 1.00 41.22 H new ATOM 0 HG2 GLN A 42 -12.027 5.056 -5.447 1.00 35.22 H new ATOM 0 HG3 GLN A 42 -10.326 5.332 -5.766 1.00 35.22 H new ATOM 0 HE21 GLN A 42 -12.790 3.414 -6.620 1.00 32.41 H new ATOM 0 HE22 GLN A 42 -11.942 1.896 -6.933 1.00 32.41 H new ATOM 532 N LYS A 43 -8.973 7.947 -3.853 1.00 43.44 N ATOM 533 CA LYS A 43 -7.834 8.593 -4.495 1.00 42.22 C ATOM 534 C LYS A 43 -7.425 9.853 -3.739 1.00 14.23 C ATOM 535 O LYS A 43 -6.238 10.128 -3.567 1.00 21.13 O ATOM 536 CB LYS A 43 -8.171 8.943 -5.946 1.00 42.43 C ATOM 537 CG LYS A 43 -6.991 8.812 -6.894 1.00 21.34 C ATOM 538 CD LYS A 43 -7.448 8.633 -8.332 1.00 4.03 C ATOM 539 CE LYS A 43 -6.467 9.261 -9.310 1.00 40.21 C ATOM 540 NZ LYS A 43 -6.661 8.750 -10.695 1.00 52.13 N ATOM 0 H LYS A 43 -9.579 8.581 -3.332 1.00 43.44 H new ATOM 0 HA LYS A 43 -6.997 7.895 -4.481 1.00 42.22 H new ATOM 0 HB2 LYS A 43 -8.976 8.294 -6.290 1.00 42.43 H new ATOM 0 HB3 LYS A 43 -8.547 9.965 -5.986 1.00 42.43 H new ATOM 0 HG2 LYS A 43 -6.363 9.699 -6.819 1.00 21.34 H new ATOM 0 HG3 LYS A 43 -6.378 7.961 -6.598 1.00 21.34 H new ATOM 0 HD2 LYS A 43 -7.553 7.571 -8.552 1.00 4.03 H new ATOM 0 HD3 LYS A 43 -8.432 9.084 -8.461 1.00 4.03 H new ATOM 0 HE2 LYS A 43 -6.589 10.344 -9.302 1.00 40.21 H new ATOM 0 HE3 LYS A 43 -5.447 9.053 -8.986 1.00 40.21 H new ATOM 0 HZ1 LYS A 43 -5.974 9.202 -11.331 1.00 52.13 H new ATOM 0 HZ2 LYS A 43 -6.519 7.720 -10.708 1.00 52.13 H new ATOM 0 HZ3 LYS A 43 -7.626 8.971 -11.015 1.00 52.13 H new ATOM 554 N SER A 44 -8.417 10.615 -3.288 1.00 31.11 N ATOM 555 CA SER A 44 -8.160 11.847 -2.552 1.00 14.14 C ATOM 556 C SER A 44 -8.858 11.825 -1.195 1.00 20.41 C ATOM 557 O SER A 44 -10.063 11.587 -1.108 1.00 51.04 O ATOM 558 CB SER A 44 -8.632 13.057 -3.360 1.00 52.13 C ATOM 559 OG SER A 44 -7.543 13.893 -3.710 1.00 2.23 O ATOM 0 H SER A 44 -9.405 10.401 -3.420 1.00 31.11 H new ATOM 0 HA SER A 44 -7.085 11.925 -2.388 1.00 14.14 H new ATOM 0 HB2 SER A 44 -9.140 12.719 -4.263 1.00 52.13 H new ATOM 0 HB3 SER A 44 -9.359 13.625 -2.779 1.00 52.13 H new ATOM 0 HG SER A 44 -7.871 14.658 -4.227 1.00 2.23 H new ATOM 565 N ILE A 45 -8.091 12.073 -0.138 1.00 54.45 N ATOM 566 CA ILE A 45 -8.635 12.083 1.214 1.00 70.11 C ATOM 567 C ILE A 45 -9.292 13.422 1.533 1.00 70.50 C ATOM 568 O ILE A 45 -8.711 14.481 1.300 1.00 61.13 O ATOM 569 CB ILE A 45 -7.543 11.797 2.262 1.00 40.14 C ATOM 570 CG1 ILE A 45 -6.841 10.474 1.951 1.00 71.43 C ATOM 571 CG2 ILE A 45 -8.144 11.769 3.659 1.00 71.40 C ATOM 572 CD1 ILE A 45 -5.690 10.166 2.883 1.00 52.30 C ATOM 0 H ILE A 45 -7.092 12.270 -0.192 1.00 54.45 H new ATOM 0 HA ILE A 45 -9.385 11.294 1.258 1.00 70.11 H new ATOM 0 HB ILE A 45 -6.803 12.597 2.222 1.00 40.14 H new ATOM 0 HG12 ILE A 45 -7.569 9.664 2.006 1.00 71.43 H new ATOM 0 HG13 ILE A 45 -6.471 10.501 0.926 1.00 71.43 H new ATOM 0 HG21 ILE A 45 -7.360 11.566 4.388 1.00 71.40 H new ATOM 0 HG22 ILE A 45 -8.602 12.734 3.878 1.00 71.40 H new ATOM 0 HG23 ILE A 45 -8.902 10.987 3.714 1.00 71.40 H new ATOM 0 HD11 ILE A 45 -5.240 9.214 2.603 1.00 52.30 H new ATOM 0 HD12 ILE A 45 -4.942 10.956 2.811 1.00 52.30 H new ATOM 0 HD13 ILE A 45 -6.057 10.106 3.907 1.00 52.30 H new ATOM 584 N ALA A 46 -10.507 13.365 2.069 1.00 4.45 N ATOM 585 CA ALA A 46 -11.241 14.573 2.425 1.00 54.14 C ATOM 586 C ALA A 46 -11.804 14.477 3.839 1.00 52.54 C ATOM 587 O ALA A 46 -11.945 13.385 4.389 1.00 10.31 O ATOM 588 CB ALA A 46 -12.361 14.823 1.425 1.00 63.03 C ATOM 0 H ALA A 46 -11.003 12.496 2.266 1.00 4.45 H new ATOM 0 HA ALA A 46 -10.547 15.413 2.395 1.00 54.14 H new ATOM 0 HB1 ALA A 46 -12.901 15.728 1.703 1.00 63.03 H new ATOM 0 HB2 ALA A 46 -11.938 14.944 0.428 1.00 63.03 H new ATOM 0 HB3 ALA A 46 -13.047 13.976 1.428 1.00 63.03 H new ATOM 594 N VAL A 47 -12.124 15.628 4.422 1.00 11.14 N ATOM 595 CA VAL A 47 -12.672 15.674 5.773 1.00 71.23 C ATOM 596 C VAL A 47 -14.096 15.131 5.806 1.00 14.45 C ATOM 597 O VAL A 47 -14.910 15.437 4.934 1.00 30.33 O ATOM 598 CB VAL A 47 -12.668 17.109 6.332 1.00 44.01 C ATOM 599 CG1 VAL A 47 -13.598 18.000 5.524 1.00 54.14 C ATOM 600 CG2 VAL A 47 -13.059 17.109 7.802 1.00 74.22 C ATOM 0 H VAL A 47 -12.013 16.541 3.980 1.00 11.14 H new ATOM 0 HA VAL A 47 -12.033 15.048 6.396 1.00 71.23 H new ATOM 0 HB VAL A 47 -11.658 17.510 6.249 1.00 44.01 H new ATOM 0 HG11 VAL A 47 -13.582 19.010 5.934 1.00 54.14 H new ATOM 0 HG12 VAL A 47 -13.267 18.025 4.486 1.00 54.14 H new ATOM 0 HG13 VAL A 47 -14.613 17.605 5.572 1.00 54.14 H new ATOM 0 HG21 VAL A 47 -13.051 18.131 8.181 1.00 74.22 H new ATOM 0 HG22 VAL A 47 -14.059 16.689 7.913 1.00 74.22 H new ATOM 0 HG23 VAL A 47 -12.348 16.507 8.368 1.00 74.22 H new ATOM 610 N LYS A 48 -14.393 14.325 6.820 1.00 65.20 N ATOM 611 CA LYS A 48 -15.720 13.740 6.970 1.00 24.24 C ATOM 612 C LYS A 48 -16.507 14.451 8.066 1.00 3.04 C ATOM 613 O LYS A 48 -17.660 14.836 7.868 1.00 64.12 O ATOM 614 CB LYS A 48 -15.608 12.248 7.294 1.00 53.22 C ATOM 615 CG LYS A 48 -16.713 11.408 6.676 1.00 24.23 C ATOM 616 CD LYS A 48 -18.033 11.603 7.402 1.00 74.43 C ATOM 617 CE LYS A 48 -19.100 12.166 6.475 1.00 12.24 C ATOM 618 NZ LYS A 48 -20.471 11.777 6.907 1.00 73.02 N ATOM 0 H LYS A 48 -13.732 14.062 7.551 1.00 65.20 H new ATOM 0 HA LYS A 48 -16.253 13.862 6.027 1.00 24.24 H new ATOM 0 HB2 LYS A 48 -14.644 11.880 6.944 1.00 53.22 H new ATOM 0 HB3 LYS A 48 -15.625 12.117 8.376 1.00 53.22 H new ATOM 0 HG2 LYS A 48 -16.831 11.676 5.626 1.00 24.23 H new ATOM 0 HG3 LYS A 48 -16.432 10.355 6.707 1.00 24.23 H new ATOM 0 HD2 LYS A 48 -18.370 10.650 7.810 1.00 74.43 H new ATOM 0 HD3 LYS A 48 -17.889 12.278 8.246 1.00 74.43 H new ATOM 0 HE2 LYS A 48 -19.022 13.253 6.449 1.00 12.24 H new ATOM 0 HE3 LYS A 48 -18.924 11.810 5.460 1.00 12.24 H new ATOM 0 HZ1 LYS A 48 -21.169 12.180 6.250 1.00 73.02 H new ATOM 0 HZ2 LYS A 48 -20.554 10.740 6.907 1.00 73.02 H new ATOM 0 HZ3 LYS A 48 -20.649 12.139 7.866 1.00 73.02 H new ATOM 632 N THR A 49 -15.876 14.624 9.224 1.00 15.31 N ATOM 633 CA THR A 49 -16.518 15.290 10.351 1.00 24.52 C ATOM 634 C THR A 49 -15.486 15.770 11.365 1.00 2.42 C ATOM 635 O THR A 49 -14.869 14.967 12.065 1.00 4.01 O ATOM 636 CB THR A 49 -17.519 14.357 11.058 1.00 14.11 C ATOM 637 OG1 THR A 49 -18.550 13.963 10.145 1.00 21.03 O ATOM 638 CG2 THR A 49 -18.140 15.045 12.265 1.00 62.30 C ATOM 0 H THR A 49 -14.922 14.312 9.406 1.00 15.31 H new ATOM 0 HA THR A 49 -17.055 16.149 9.948 1.00 24.52 H new ATOM 0 HB THR A 49 -16.980 13.474 11.400 1.00 14.11 H new ATOM 0 HG1 THR A 49 -18.528 14.545 9.356 1.00 21.03 H new ATOM 0 HG21 THR A 49 -18.843 14.367 12.748 1.00 62.30 H new ATOM 0 HG22 THR A 49 -17.356 15.318 12.971 1.00 62.30 H new ATOM 0 HG23 THR A 49 -18.666 15.943 11.941 1.00 62.30 H new ATOM 646 N ILE A 50 -15.304 17.085 11.440 1.00 72.55 N ATOM 647 CA ILE A 50 -14.348 17.672 12.370 1.00 60.41 C ATOM 648 C ILE A 50 -15.044 18.170 13.632 1.00 61.01 C ATOM 649 O ILE A 50 -16.078 18.833 13.563 1.00 41.04 O ATOM 650 CB ILE A 50 -13.580 18.840 11.725 1.00 1.41 C ATOM 651 CG1 ILE A 50 -12.448 19.304 12.644 1.00 65.22 C ATOM 652 CG2 ILE A 50 -14.526 19.992 11.420 1.00 74.22 C ATOM 653 CD1 ILE A 50 -11.257 19.865 11.899 1.00 3.41 C ATOM 0 H ILE A 50 -15.806 17.763 10.868 1.00 72.55 H new ATOM 0 HA ILE A 50 -13.641 16.886 12.634 1.00 60.41 H new ATOM 0 HB ILE A 50 -13.144 18.495 10.787 1.00 1.41 H new ATOM 0 HG12 ILE A 50 -12.832 20.064 13.324 1.00 65.22 H new ATOM 0 HG13 ILE A 50 -12.121 18.464 13.256 1.00 65.22 H new ATOM 0 HG21 ILE A 50 -13.968 20.810 10.964 1.00 74.22 H new ATOM 0 HG22 ILE A 50 -15.301 19.654 10.732 1.00 74.22 H new ATOM 0 HG23 ILE A 50 -14.988 20.338 12.345 1.00 74.22 H new ATOM 0 HD11 ILE A 50 -10.494 20.174 12.613 1.00 3.41 H new ATOM 0 HD12 ILE A 50 -10.848 19.100 11.239 1.00 3.41 H new ATOM 0 HD13 ILE A 50 -11.570 20.725 11.308 1.00 3.41 H new ATOM 665 N GLY A 51 -14.468 17.847 14.786 1.00 62.00 N ATOM 666 CA GLY A 51 -15.045 18.271 16.048 1.00 53.42 C ATOM 667 C GLY A 51 -14.364 19.503 16.612 1.00 35.51 C ATOM 668 O GLY A 51 -13.454 20.053 15.995 1.00 44.13 O ATOM 0 H GLY A 51 -13.612 17.299 14.869 1.00 62.00 H new ATOM 0 HA2 GLY A 51 -16.106 18.478 15.908 1.00 53.42 H new ATOM 0 HA3 GLY A 51 -14.972 17.457 16.769 1.00 53.42 H new ATOM 672 N GLU A 52 -14.808 19.936 17.788 1.00 74.11 N ATOM 673 CA GLU A 52 -14.236 21.112 18.433 1.00 34.23 C ATOM 674 C GLU A 52 -14.914 21.380 19.774 1.00 50.20 C ATOM 675 O GLU A 52 -15.664 22.346 19.920 1.00 22.32 O ATOM 676 CB GLU A 52 -14.373 22.336 17.526 1.00 13.30 C ATOM 677 CG GLU A 52 -15.760 22.498 16.927 1.00 72.34 C ATOM 678 CD GLU A 52 -16.055 23.927 16.514 1.00 63.21 C ATOM 679 OE1 GLU A 52 -16.423 24.735 17.392 1.00 61.41 O ATOM 680 OE2 GLU A 52 -15.916 24.237 15.312 1.00 34.10 O ATOM 0 H GLU A 52 -15.561 19.491 18.313 1.00 74.11 H new ATOM 0 HA GLU A 52 -13.178 20.919 18.612 1.00 34.23 H new ATOM 0 HB2 GLU A 52 -14.127 23.231 18.098 1.00 13.30 H new ATOM 0 HB3 GLU A 52 -13.644 22.263 16.719 1.00 13.30 H new ATOM 0 HG2 GLU A 52 -15.855 21.846 16.059 1.00 72.34 H new ATOM 0 HG3 GLU A 52 -16.505 22.173 17.653 1.00 72.34 H new ATOM 687 N ARG A 53 -14.645 20.519 20.749 1.00 22.44 N ATOM 688 CA ARG A 53 -15.229 20.661 22.077 1.00 33.14 C ATOM 689 C ARG A 53 -16.745 20.809 21.991 1.00 15.30 C ATOM 690 O ARG A 53 -17.285 21.896 22.191 1.00 14.51 O ATOM 691 CB ARG A 53 -14.628 21.870 22.796 1.00 42.23 C ATOM 692 CG ARG A 53 -13.111 21.836 22.881 1.00 63.51 C ATOM 693 CD ARG A 53 -12.502 23.182 22.523 1.00 3.34 C ATOM 694 NE ARG A 53 -12.224 23.989 23.709 1.00 52.45 N ATOM 695 CZ ARG A 53 -12.060 25.307 23.678 1.00 2.22 C ATOM 696 NH1 ARG A 53 -12.145 25.963 22.529 1.00 31.11 N ATOM 697 NH2 ARG A 53 -11.810 25.972 24.799 1.00 30.22 N ATOM 0 H ARG A 53 -14.026 19.715 20.644 1.00 22.44 H new ATOM 0 HA ARG A 53 -15.000 19.759 22.645 1.00 33.14 H new ATOM 0 HB2 ARG A 53 -14.934 22.779 22.278 1.00 42.23 H new ATOM 0 HB3 ARG A 53 -15.039 21.924 23.804 1.00 42.23 H new ATOM 0 HG2 ARG A 53 -12.808 21.555 23.890 1.00 63.51 H new ATOM 0 HG3 ARG A 53 -12.725 21.070 22.208 1.00 63.51 H new ATOM 0 HD2 ARG A 53 -11.578 23.025 21.966 1.00 3.34 H new ATOM 0 HD3 ARG A 53 -13.182 23.725 21.866 1.00 3.34 H new ATOM 0 HE ARG A 53 -12.152 23.515 24.609 1.00 52.45 H new ATOM 0 HH11 ARG A 53 -12.337 25.456 21.665 1.00 31.11 H new ATOM 0 HH12 ARG A 53 -12.019 26.975 22.509 1.00 31.11 H new ATOM 0 HH21 ARG A 53 -11.744 25.471 25.685 1.00 30.22 H new ATOM 0 HH22 ARG A 53 -11.684 26.984 24.774 1.00 30.22 H new ATOM 711 N GLY A 54 -17.427 19.708 21.691 1.00 61.41 N ATOM 712 CA GLY A 54 -18.874 19.737 21.583 1.00 63.35 C ATOM 713 C GLY A 54 -19.435 18.468 20.971 1.00 41.41 C ATOM 714 O GLY A 54 -20.576 18.094 21.240 1.00 61.22 O ATOM 0 H GLY A 54 -17.003 18.796 21.521 1.00 61.41 H new ATOM 0 HA2 GLY A 54 -19.306 19.881 22.573 1.00 63.35 H new ATOM 0 HA3 GLY A 54 -19.173 20.592 20.977 1.00 63.35 H new ATOM 718 N ALA A 55 -18.632 17.806 20.144 1.00 10.42 N ATOM 719 CA ALA A 55 -19.055 16.573 19.493 1.00 70.10 C ATOM 720 C ALA A 55 -18.812 15.366 20.393 1.00 71.14 C ATOM 721 O ALA A 55 -17.669 15.010 20.674 1.00 4.23 O ATOM 722 CB ALA A 55 -18.329 16.400 18.167 1.00 2.22 C ATOM 0 H ALA A 55 -17.685 18.103 19.909 1.00 10.42 H new ATOM 0 HA ALA A 55 -20.126 16.641 19.302 1.00 70.10 H new ATOM 0 HB1 ALA A 55 -18.655 15.475 17.692 1.00 2.22 H new ATOM 0 HB2 ALA A 55 -18.557 17.243 17.515 1.00 2.22 H new ATOM 0 HB3 ALA A 55 -17.254 16.358 18.343 1.00 2.22 H new ATOM 728 N ASN A 56 -19.896 14.740 20.841 1.00 4.31 N ATOM 729 CA ASN A 56 -19.799 13.573 21.711 1.00 55.35 C ATOM 730 C ASN A 56 -19.321 12.352 20.931 1.00 3.31 C ATOM 731 O ASN A 56 -19.393 12.319 19.703 1.00 73.15 O ATOM 732 CB ASN A 56 -21.155 13.280 22.357 1.00 3.23 C ATOM 733 CG ASN A 56 -21.117 13.418 23.867 1.00 23.41 C ATOM 734 OD1 ASN A 56 -20.496 14.336 24.403 1.00 40.15 O ATOM 735 ND2 ASN A 56 -21.782 12.502 24.561 1.00 31.23 N ATOM 0 H ASN A 56 -20.850 15.021 20.616 1.00 4.31 H new ATOM 0 HA ASN A 56 -19.071 13.792 22.492 1.00 55.35 H new ATOM 0 HB2 ASN A 56 -21.903 13.961 21.951 1.00 3.23 H new ATOM 0 HB3 ASN A 56 -21.469 12.270 22.095 1.00 3.23 H new ATOM 0 HD21 ASN A 56 -21.792 12.542 25.580 1.00 31.23 H new ATOM 0 HD22 ASN A 56 -22.283 11.758 24.075 1.00 31.23 H new ATOM 742 N PHE A 57 -18.832 11.350 21.654 1.00 2.10 N ATOM 743 CA PHE A 57 -18.341 10.127 21.031 1.00 65.40 C ATOM 744 C PHE A 57 -19.490 9.321 20.433 1.00 14.03 C ATOM 745 O PHE A 57 -19.349 8.708 19.375 1.00 50.42 O ATOM 746 CB PHE A 57 -17.585 9.276 22.054 1.00 43.00 C ATOM 747 CG PHE A 57 -18.449 8.785 23.180 1.00 25.32 C ATOM 748 CD1 PHE A 57 -18.611 9.543 24.328 1.00 4.33 C ATOM 749 CD2 PHE A 57 -19.099 7.565 23.091 1.00 62.54 C ATOM 750 CE1 PHE A 57 -19.404 9.093 25.366 1.00 32.03 C ATOM 751 CE2 PHE A 57 -19.894 7.109 24.125 1.00 12.23 C ATOM 752 CZ PHE A 57 -20.048 7.875 25.264 1.00 2.12 C ATOM 0 H PHE A 57 -18.765 11.361 22.672 1.00 2.10 H new ATOM 0 HA PHE A 57 -17.660 10.407 20.227 1.00 65.40 H new ATOM 0 HB2 PHE A 57 -17.142 8.419 21.546 1.00 43.00 H new ATOM 0 HB3 PHE A 57 -16.763 9.862 22.466 1.00 43.00 H new ATOM 0 HD1 PHE A 57 -18.112 10.497 24.413 1.00 4.33 H new ATOM 0 HD2 PHE A 57 -18.983 6.963 22.202 1.00 62.54 H new ATOM 0 HE1 PHE A 57 -19.520 9.693 26.256 1.00 32.03 H new ATOM 0 HE2 PHE A 57 -20.394 6.155 24.043 1.00 12.23 H new ATOM 0 HZ PHE A 57 -20.671 7.523 26.073 1.00 2.12 H new ATOM 762 N ASP A 58 -20.628 9.327 21.119 1.00 21.45 N ATOM 763 CA ASP A 58 -21.803 8.597 20.657 1.00 12.44 C ATOM 764 C ASP A 58 -22.204 9.045 19.255 1.00 23.31 C ATOM 765 O ASP A 58 -22.466 8.218 18.382 1.00 45.55 O ATOM 766 CB ASP A 58 -22.970 8.803 21.625 1.00 71.15 C ATOM 767 CG ASP A 58 -23.599 7.494 22.059 1.00 33.21 C ATOM 768 OD1 ASP A 58 -24.398 6.933 21.280 1.00 22.55 O ATOM 769 OD2 ASP A 58 -23.294 7.031 23.178 1.00 1.14 O ATOM 0 H ASP A 58 -20.762 9.829 21.997 1.00 21.45 H new ATOM 0 HA ASP A 58 -21.552 7.537 20.622 1.00 12.44 H new ATOM 0 HB2 ASP A 58 -22.618 9.343 22.504 1.00 71.15 H new ATOM 0 HB3 ASP A 58 -23.727 9.427 21.150 1.00 71.15 H new ATOM 774 N GLN A 59 -22.250 10.357 19.049 1.00 61.13 N ATOM 775 CA GLN A 59 -22.621 10.913 17.753 1.00 45.32 C ATOM 776 C GLN A 59 -21.568 10.586 16.699 1.00 70.12 C ATOM 777 O GLN A 59 -21.894 10.327 15.540 1.00 34.43 O ATOM 778 CB GLN A 59 -22.801 12.429 17.857 1.00 25.35 C ATOM 779 CG GLN A 59 -24.171 12.845 18.367 1.00 21.23 C ATOM 780 CD GLN A 59 -25.002 13.538 17.306 1.00 14.43 C ATOM 781 OE1 GLN A 59 -26.095 13.086 16.964 1.00 54.21 O ATOM 782 NE2 GLN A 59 -24.488 14.643 16.779 1.00 11.43 N ATOM 0 H GLN A 59 -22.035 11.054 19.762 1.00 61.13 H new ATOM 0 HA GLN A 59 -23.566 10.462 17.450 1.00 45.32 H new ATOM 0 HB2 GLN A 59 -22.037 12.833 18.522 1.00 25.35 H new ATOM 0 HB3 GLN A 59 -22.637 12.874 16.876 1.00 25.35 H new ATOM 0 HG2 GLN A 59 -24.705 11.964 18.723 1.00 21.23 H new ATOM 0 HG3 GLN A 59 -24.050 13.511 19.221 1.00 21.23 H new ATOM 0 HE21 GLN A 59 -23.578 14.982 17.092 1.00 11.43 H new ATOM 0 HE22 GLN A 59 -25.003 15.153 16.061 1.00 11.43 H new ATOM 791 N PHE A 60 -20.304 10.600 17.108 1.00 43.12 N ATOM 792 CA PHE A 60 -19.203 10.306 16.198 1.00 5.01 C ATOM 793 C PHE A 60 -19.324 8.892 15.636 1.00 2.55 C ATOM 794 O PHE A 60 -19.163 8.675 14.435 1.00 32.22 O ATOM 795 CB PHE A 60 -17.862 10.468 16.917 1.00 22.14 C ATOM 796 CG PHE A 60 -17.304 11.860 16.840 1.00 13.50 C ATOM 797 CD1 PHE A 60 -17.129 12.484 15.615 1.00 72.30 C ATOM 798 CD2 PHE A 60 -16.956 12.547 17.992 1.00 20.53 C ATOM 799 CE1 PHE A 60 -16.616 13.765 15.541 1.00 23.31 C ATOM 800 CE2 PHE A 60 -16.442 13.828 17.925 1.00 74.03 C ATOM 801 CZ PHE A 60 -16.273 14.438 16.697 1.00 11.23 C ATOM 0 H PHE A 60 -20.016 10.812 18.063 1.00 43.12 H new ATOM 0 HA PHE A 60 -19.251 11.013 15.369 1.00 5.01 H new ATOM 0 HB2 PHE A 60 -17.985 10.192 17.964 1.00 22.14 H new ATOM 0 HB3 PHE A 60 -17.142 9.772 16.486 1.00 22.14 H new ATOM 0 HD1 PHE A 60 -17.397 11.963 14.708 1.00 72.30 H new ATOM 0 HD2 PHE A 60 -17.088 12.075 18.955 1.00 20.53 H new ATOM 0 HE1 PHE A 60 -16.483 14.239 14.580 1.00 23.31 H new ATOM 0 HE2 PHE A 60 -16.173 14.351 18.831 1.00 74.03 H new ATOM 0 HZ PHE A 60 -15.873 15.440 16.641 1.00 11.23 H new ATOM 811 N ILE A 61 -19.607 7.936 16.514 1.00 34.01 N ATOM 812 CA ILE A 61 -19.751 6.544 16.106 1.00 24.14 C ATOM 813 C ILE A 61 -21.020 6.339 15.287 1.00 34.24 C ATOM 814 O ILE A 61 -21.020 5.609 14.297 1.00 32.50 O ATOM 815 CB ILE A 61 -19.780 5.601 17.324 1.00 75.02 C ATOM 816 CG1 ILE A 61 -18.503 5.760 18.151 1.00 14.53 C ATOM 817 CG2 ILE A 61 -19.949 4.158 16.872 1.00 24.00 C ATOM 818 CD1 ILE A 61 -17.238 5.483 17.370 1.00 53.22 C ATOM 0 H ILE A 61 -19.741 8.100 17.512 1.00 34.01 H new ATOM 0 HA ILE A 61 -18.883 6.304 15.491 1.00 24.14 H new ATOM 0 HB ILE A 61 -20.631 5.867 17.951 1.00 75.02 H new ATOM 0 HG12 ILE A 61 -18.461 6.775 18.547 1.00 14.53 H new ATOM 0 HG13 ILE A 61 -18.547 5.085 19.006 1.00 14.53 H new ATOM 0 HG21 ILE A 61 -19.968 3.504 17.743 1.00 24.00 H new ATOM 0 HG22 ILE A 61 -20.884 4.056 16.322 1.00 24.00 H new ATOM 0 HG23 ILE A 61 -19.116 3.879 16.227 1.00 24.00 H new ATOM 0 HD11 ILE A 61 -16.373 5.615 18.020 1.00 53.22 H new ATOM 0 HD12 ILE A 61 -17.258 4.459 16.996 1.00 53.22 H new ATOM 0 HD13 ILE A 61 -17.170 6.175 16.530 1.00 53.22 H new ATOM 830 N GLU A 62 -22.101 6.990 15.707 1.00 24.13 N ATOM 831 CA GLU A 62 -23.377 6.879 15.011 1.00 12.23 C ATOM 832 C GLU A 62 -23.250 7.346 13.564 1.00 61.31 C ATOM 833 O GLU A 62 -23.814 6.740 12.653 1.00 31.35 O ATOM 834 CB GLU A 62 -24.449 7.701 15.731 1.00 22.31 C ATOM 835 CG GLU A 62 -25.658 6.885 16.156 1.00 72.23 C ATOM 836 CD GLU A 62 -26.627 6.641 15.015 1.00 61.41 C ATOM 837 OE1 GLU A 62 -26.171 6.560 13.855 1.00 23.14 O ATOM 838 OE2 GLU A 62 -27.842 6.530 15.283 1.00 62.24 O ATOM 0 H GLU A 62 -22.118 7.599 16.525 1.00 24.13 H new ATOM 0 HA GLU A 62 -23.672 5.830 15.012 1.00 12.23 H new ATOM 0 HB2 GLU A 62 -24.007 8.166 16.612 1.00 22.31 H new ATOM 0 HB3 GLU A 62 -24.778 8.508 15.076 1.00 22.31 H new ATOM 0 HG2 GLU A 62 -25.323 5.927 16.555 1.00 72.23 H new ATOM 0 HG3 GLU A 62 -26.176 7.403 16.963 1.00 72.23 H new ATOM 845 N ALA A 63 -22.505 8.427 13.360 1.00 11.44 N ATOM 846 CA ALA A 63 -22.302 8.975 12.025 1.00 72.01 C ATOM 847 C ALA A 63 -21.356 8.099 11.211 1.00 41.35 C ATOM 848 O ALA A 63 -21.689 7.669 10.106 1.00 54.20 O ATOM 849 CB ALA A 63 -21.765 10.396 12.113 1.00 72.20 C ATOM 0 H ALA A 63 -22.032 8.941 14.103 1.00 11.44 H new ATOM 0 HA ALA A 63 -23.266 8.994 11.516 1.00 72.01 H new ATOM 0 HB1 ALA A 63 -21.618 10.792 11.108 1.00 72.20 H new ATOM 0 HB2 ALA A 63 -22.478 11.022 12.649 1.00 72.20 H new ATOM 0 HB3 ALA A 63 -20.813 10.393 12.644 1.00 72.20 H new ATOM 855 N ILE A 64 -20.175 7.840 11.762 1.00 33.02 N ATOM 856 CA ILE A 64 -19.181 7.015 11.086 1.00 15.23 C ATOM 857 C ILE A 64 -19.654 5.570 10.969 1.00 53.32 C ATOM 858 O ILE A 64 -20.346 5.059 11.850 1.00 63.12 O ATOM 859 CB ILE A 64 -17.830 7.043 11.825 1.00 34.10 C ATOM 860 CG1 ILE A 64 -17.352 8.485 12.005 1.00 51.22 C ATOM 861 CG2 ILE A 64 -16.795 6.226 11.066 1.00 0.51 C ATOM 862 CD1 ILE A 64 -16.172 8.618 12.942 1.00 41.15 C ATOM 0 H ILE A 64 -19.883 8.189 12.675 1.00 33.02 H new ATOM 0 HA ILE A 64 -19.049 7.433 10.088 1.00 15.23 H new ATOM 0 HB ILE A 64 -17.962 6.599 12.812 1.00 34.10 H new ATOM 0 HG12 ILE A 64 -17.080 8.893 11.032 1.00 51.22 H new ATOM 0 HG13 ILE A 64 -18.177 9.088 12.385 1.00 51.22 H new ATOM 0 HG21 ILE A 64 -15.845 6.255 11.600 1.00 0.51 H new ATOM 0 HG22 ILE A 64 -17.134 5.193 10.985 1.00 0.51 H new ATOM 0 HG23 ILE A 64 -16.663 6.643 10.068 1.00 0.51 H new ATOM 0 HD11 ILE A 64 -15.887 9.667 13.022 1.00 41.15 H new ATOM 0 HD12 ILE A 64 -16.445 8.240 13.927 1.00 41.15 H new ATOM 0 HD13 ILE A 64 -15.332 8.043 12.553 1.00 41.15 H new ATOM 874 N ASP A 65 -19.276 4.917 9.876 1.00 65.20 N ATOM 875 CA ASP A 65 -19.658 3.529 9.644 1.00 71.21 C ATOM 876 C ASP A 65 -18.426 2.636 9.540 1.00 62.41 C ATOM 877 O ASP A 65 -17.668 2.715 8.573 1.00 4.10 O ATOM 878 CB ASP A 65 -20.495 3.415 8.369 1.00 72.41 C ATOM 879 CG ASP A 65 -21.855 2.795 8.623 1.00 55.40 C ATOM 880 OD1 ASP A 65 -21.939 1.551 8.680 1.00 20.13 O ATOM 881 OD2 ASP A 65 -22.837 3.555 8.764 1.00 42.33 O ATOM 0 H ASP A 65 -18.705 5.327 9.136 1.00 65.20 H new ATOM 0 HA ASP A 65 -20.255 3.196 10.493 1.00 71.21 H new ATOM 0 HB2 ASP A 65 -20.626 4.406 7.934 1.00 72.41 H new ATOM 0 HB3 ASP A 65 -19.956 2.814 7.636 1.00 72.41 H new ATOM 886 N LYS A 66 -18.231 1.786 10.543 1.00 70.14 N ATOM 887 CA LYS A 66 -17.091 0.877 10.565 1.00 33.23 C ATOM 888 C LYS A 66 -17.028 0.051 9.284 1.00 34.14 C ATOM 889 O LYS A 66 -17.767 -0.919 9.124 1.00 73.42 O ATOM 890 CB LYS A 66 -17.177 -0.051 11.779 1.00 21.03 C ATOM 891 CG LYS A 66 -15.838 -0.637 12.193 1.00 61.15 C ATOM 892 CD LYS A 66 -15.665 -2.054 11.672 1.00 31.34 C ATOM 893 CE LYS A 66 -15.945 -3.084 12.756 1.00 10.14 C ATOM 894 NZ LYS A 66 -17.262 -2.854 13.413 1.00 61.23 N ATOM 0 H LYS A 66 -18.848 1.708 11.351 1.00 70.14 H new ATOM 0 HA LYS A 66 -16.182 1.475 10.635 1.00 33.23 H new ATOM 0 HB2 LYS A 66 -17.598 0.502 12.619 1.00 21.03 H new ATOM 0 HB3 LYS A 66 -17.867 -0.865 11.556 1.00 21.03 H new ATOM 0 HG2 LYS A 66 -15.032 -0.008 11.815 1.00 61.15 H new ATOM 0 HG3 LYS A 66 -15.760 -0.636 13.280 1.00 61.15 H new ATOM 0 HD2 LYS A 66 -16.338 -2.218 10.830 1.00 31.34 H new ATOM 0 HD3 LYS A 66 -14.649 -2.184 11.298 1.00 31.34 H new ATOM 0 HE2 LYS A 66 -15.926 -4.083 12.321 1.00 10.14 H new ATOM 0 HE3 LYS A 66 -15.154 -3.047 13.505 1.00 10.14 H new ATOM 0 HZ1 LYS A 66 -17.524 -3.694 13.968 1.00 61.23 H new ATOM 0 HZ2 LYS A 66 -17.196 -2.029 14.043 1.00 61.23 H new ATOM 0 HZ3 LYS A 66 -17.986 -2.678 12.687 1.00 61.23 H new ATOM 908 N ASN A 67 -16.140 0.442 8.376 1.00 13.23 N ATOM 909 CA ASN A 67 -15.981 -0.263 7.110 1.00 63.11 C ATOM 910 C ASN A 67 -14.907 0.398 6.251 1.00 70.23 C ATOM 911 O ASN A 67 -13.796 -0.117 6.121 1.00 12.02 O ATOM 912 CB ASN A 67 -17.308 -0.297 6.350 1.00 14.12 C ATOM 913 CG ASN A 67 -17.938 -1.677 6.347 1.00 43.31 C ATOM 914 OD1 ASN A 67 -17.333 -2.646 5.888 1.00 1.21 O ATOM 915 ND2 ASN A 67 -19.159 -1.771 6.860 1.00 22.12 N ATOM 0 H ASN A 67 -15.520 1.243 8.494 1.00 13.23 H new ATOM 0 HA ASN A 67 -15.670 -1.284 7.329 1.00 63.11 H new ATOM 0 HB2 ASN A 67 -18.000 0.414 6.801 1.00 14.12 H new ATOM 0 HB3 ASN A 67 -17.143 0.026 5.322 1.00 14.12 H new ATOM 0 HD21 ASN A 67 -19.634 -2.673 6.885 1.00 22.12 H new ATOM 0 HD22 ASN A 67 -19.622 -0.941 7.229 1.00 22.12 H new ATOM 922 N VAL A 68 -15.246 1.542 5.665 1.00 14.05 N ATOM 923 CA VAL A 68 -14.312 2.275 4.820 1.00 63.00 C ATOM 924 C VAL A 68 -13.062 2.672 5.598 1.00 52.01 C ATOM 925 O VAL A 68 -13.091 2.859 6.814 1.00 13.05 O ATOM 926 CB VAL A 68 -14.961 3.542 4.232 1.00 33.22 C ATOM 927 CG1 VAL A 68 -16.242 3.190 3.490 1.00 45.42 C ATOM 928 CG2 VAL A 68 -15.234 4.559 5.330 1.00 31.33 C ATOM 0 H VAL A 68 -16.162 1.981 5.760 1.00 14.05 H new ATOM 0 HA VAL A 68 -14.033 1.607 4.005 1.00 63.00 H new ATOM 0 HB VAL A 68 -14.267 3.988 3.520 1.00 33.22 H new ATOM 0 HG11 VAL A 68 -16.687 4.097 3.081 1.00 45.42 H new ATOM 0 HG12 VAL A 68 -16.014 2.500 2.678 1.00 45.42 H new ATOM 0 HG13 VAL A 68 -16.944 2.720 4.179 1.00 45.42 H new ATOM 0 HG21 VAL A 68 -15.693 5.448 4.897 1.00 31.33 H new ATOM 0 HG22 VAL A 68 -15.909 4.125 6.068 1.00 31.33 H new ATOM 0 HG23 VAL A 68 -14.296 4.833 5.813 1.00 31.33 H new ATOM 938 N PRO A 69 -11.936 2.805 4.881 1.00 33.11 N ATOM 939 CA PRO A 69 -10.654 3.182 5.483 1.00 12.35 C ATOM 940 C PRO A 69 -10.640 4.632 5.956 1.00 34.15 C ATOM 941 O PRO A 69 -10.200 5.526 5.234 1.00 43.44 O ATOM 942 CB PRO A 69 -9.654 2.983 4.342 1.00 23.43 C ATOM 943 CG PRO A 69 -10.462 3.132 3.100 1.00 44.44 C ATOM 944 CD PRO A 69 -11.828 2.597 3.427 1.00 12.42 C ATOM 0 HA PRO A 69 -10.431 2.591 6.371 1.00 12.35 H new ATOM 0 HB2 PRO A 69 -8.853 3.721 4.384 1.00 23.43 H new ATOM 0 HB3 PRO A 69 -9.185 2.000 4.394 1.00 23.43 H new ATOM 0 HG2 PRO A 69 -10.515 4.176 2.792 1.00 44.44 H new ATOM 0 HG3 PRO A 69 -10.014 2.579 2.274 1.00 44.44 H new ATOM 0 HD2 PRO A 69 -12.609 3.131 2.885 1.00 12.42 H new ATOM 0 HD3 PRO A 69 -11.921 1.543 3.164 1.00 12.42 H new ATOM 952 N CYS A 70 -11.125 4.857 7.173 1.00 65.12 N ATOM 953 CA CYS A 70 -11.168 6.199 7.742 1.00 0.12 C ATOM 954 C CYS A 70 -10.122 6.358 8.841 1.00 63.15 C ATOM 955 O CYS A 70 -9.686 5.377 9.444 1.00 71.24 O ATOM 956 CB CYS A 70 -12.561 6.494 8.301 1.00 24.43 C ATOM 957 SG CYS A 70 -13.137 5.288 9.520 1.00 40.24 S ATOM 0 H CYS A 70 -11.493 4.128 7.784 1.00 65.12 H new ATOM 0 HA CYS A 70 -10.945 6.911 6.947 1.00 0.12 H new ATOM 0 HB2 CYS A 70 -12.555 7.483 8.759 1.00 24.43 H new ATOM 0 HB3 CYS A 70 -13.272 6.529 7.476 1.00 24.43 H new ATOM 0 HG CYS A 70 -14.276 5.677 10.010 1.00 40.24 H new ATOM 963 N TYR A 71 -9.721 7.599 9.094 1.00 73.22 N ATOM 964 CA TYR A 71 -8.723 7.886 10.117 1.00 63.03 C ATOM 965 C TYR A 71 -9.280 8.839 11.170 1.00 60.12 C ATOM 966 O TYR A 71 -9.883 9.860 10.842 1.00 51.22 O ATOM 967 CB TYR A 71 -7.469 8.488 9.480 1.00 1.23 C ATOM 968 CG TYR A 71 -7.046 7.797 8.204 1.00 71.12 C ATOM 969 CD1 TYR A 71 -6.384 6.576 8.239 1.00 61.34 C ATOM 970 CD2 TYR A 71 -7.308 8.365 6.963 1.00 23.02 C ATOM 971 CE1 TYR A 71 -5.995 5.941 7.075 1.00 70.30 C ATOM 972 CE2 TYR A 71 -6.924 7.736 5.795 1.00 42.45 C ATOM 973 CZ TYR A 71 -6.268 6.525 5.856 1.00 63.35 C ATOM 974 OH TYR A 71 -5.882 5.896 4.694 1.00 54.14 O ATOM 0 H TYR A 71 -10.072 8.422 8.605 1.00 73.22 H new ATOM 0 HA TYR A 71 -8.460 6.948 10.606 1.00 63.03 H new ATOM 0 HB2 TYR A 71 -7.649 9.542 9.270 1.00 1.23 H new ATOM 0 HB3 TYR A 71 -6.649 8.441 10.197 1.00 1.23 H new ATOM 0 HD1 TYR A 71 -6.170 6.115 9.192 1.00 61.34 H new ATOM 0 HD2 TYR A 71 -7.821 9.314 6.911 1.00 23.02 H new ATOM 0 HE1 TYR A 71 -5.480 4.993 7.120 1.00 70.30 H new ATOM 0 HE2 TYR A 71 -7.137 8.191 4.839 1.00 42.45 H new ATOM 0 HH TYR A 71 -5.683 4.955 4.882 1.00 54.14 H new ATOM 984 N ALA A 72 -9.072 8.497 12.437 1.00 35.41 N ATOM 985 CA ALA A 72 -9.551 9.322 13.539 1.00 21.44 C ATOM 986 C ALA A 72 -8.392 9.810 14.403 1.00 75.33 C ATOM 987 O ALA A 72 -7.672 9.011 15.000 1.00 2.01 O ATOM 988 CB ALA A 72 -10.551 8.546 14.384 1.00 63.20 C ATOM 0 H ALA A 72 -8.575 7.654 12.726 1.00 35.41 H new ATOM 0 HA ALA A 72 -10.049 10.195 13.117 1.00 21.44 H new ATOM 0 HB1 ALA A 72 -10.900 9.175 15.203 1.00 63.20 H new ATOM 0 HB2 ALA A 72 -11.399 8.252 13.766 1.00 63.20 H new ATOM 0 HB3 ALA A 72 -10.071 7.655 14.789 1.00 63.20 H new ATOM 994 N ALA A 73 -8.219 11.126 14.463 1.00 51.02 N ATOM 995 CA ALA A 73 -7.149 11.720 15.254 1.00 1.22 C ATOM 996 C ALA A 73 -7.697 12.365 16.523 1.00 71.51 C ATOM 997 O ALA A 73 -8.656 13.135 16.475 1.00 0.34 O ATOM 998 CB ALA A 73 -6.387 12.745 14.427 1.00 61.55 C ATOM 0 H ALA A 73 -8.806 11.801 13.973 1.00 51.02 H new ATOM 0 HA ALA A 73 -6.464 10.924 15.548 1.00 1.22 H new ATOM 0 HB1 ALA A 73 -5.591 13.180 15.031 1.00 61.55 H new ATOM 0 HB2 ALA A 73 -5.955 12.258 13.553 1.00 61.55 H new ATOM 0 HB3 ALA A 73 -7.069 13.532 14.104 1.00 61.55 H new ATOM 1004 N PHE A 74 -7.083 12.043 17.657 1.00 40.52 N ATOM 1005 CA PHE A 74 -7.511 12.590 18.939 1.00 1.03 C ATOM 1006 C PHE A 74 -6.406 13.434 19.567 1.00 44.32 C ATOM 1007 O PHE A 74 -5.273 12.977 19.724 1.00 75.41 O ATOM 1008 CB PHE A 74 -7.909 11.461 19.892 1.00 64.41 C ATOM 1009 CG PHE A 74 -8.434 11.947 21.212 1.00 15.10 C ATOM 1010 CD1 PHE A 74 -9.293 13.033 21.273 1.00 22.02 C ATOM 1011 CD2 PHE A 74 -8.070 11.319 22.392 1.00 61.31 C ATOM 1012 CE1 PHE A 74 -9.779 13.483 22.486 1.00 1.03 C ATOM 1013 CE2 PHE A 74 -8.553 11.764 23.608 1.00 71.12 C ATOM 1014 CZ PHE A 74 -9.408 12.848 23.655 1.00 4.13 C ATOM 0 H PHE A 74 -6.288 11.406 17.714 1.00 40.52 H new ATOM 0 HA PHE A 74 -8.376 13.229 18.762 1.00 1.03 H new ATOM 0 HB2 PHE A 74 -8.669 10.843 19.413 1.00 64.41 H new ATOM 0 HB3 PHE A 74 -7.043 10.822 20.067 1.00 64.41 H new ATOM 0 HD1 PHE A 74 -9.586 13.533 20.362 1.00 22.02 H new ATOM 0 HD2 PHE A 74 -7.401 10.472 22.361 1.00 61.31 H new ATOM 0 HE1 PHE A 74 -10.448 14.330 22.520 1.00 1.03 H new ATOM 0 HE2 PHE A 74 -8.262 11.265 24.521 1.00 71.12 H new ATOM 0 HZ PHE A 74 -9.786 13.198 24.604 1.00 4.13 H new ATOM 1024 N ASP A 75 -6.742 14.669 19.923 1.00 75.03 N ATOM 1025 CA ASP A 75 -5.780 15.578 20.534 1.00 42.25 C ATOM 1026 C ASP A 75 -5.934 15.594 22.051 1.00 14.01 C ATOM 1027 O ASP A 75 -6.975 15.991 22.575 1.00 12.14 O ATOM 1028 CB ASP A 75 -5.956 16.991 19.976 1.00 41.43 C ATOM 1029 CG ASP A 75 -5.308 18.045 20.853 1.00 72.12 C ATOM 1030 OD1 ASP A 75 -4.072 18.205 20.773 1.00 0.34 O ATOM 1031 OD2 ASP A 75 -6.037 18.710 21.618 1.00 75.52 O ATOM 0 H ASP A 75 -7.674 15.064 19.799 1.00 75.03 H new ATOM 0 HA ASP A 75 -4.778 15.223 20.293 1.00 42.25 H new ATOM 0 HB2 ASP A 75 -5.525 17.040 18.976 1.00 41.43 H new ATOM 0 HB3 ASP A 75 -7.019 17.209 19.876 1.00 41.43 H new ATOM 1036 N PHE A 76 -4.892 15.159 22.751 1.00 34.55 N ATOM 1037 CA PHE A 76 -4.913 15.121 24.209 1.00 30.41 C ATOM 1038 C PHE A 76 -3.683 15.813 24.789 1.00 52.33 C ATOM 1039 O PHE A 76 -2.793 16.238 24.053 1.00 71.44 O ATOM 1040 CB PHE A 76 -4.977 13.673 24.702 1.00 42.42 C ATOM 1041 CG PHE A 76 -5.737 13.511 25.987 1.00 23.31 C ATOM 1042 CD1 PHE A 76 -7.082 13.835 26.058 1.00 41.11 C ATOM 1043 CD2 PHE A 76 -5.106 13.034 27.125 1.00 64.12 C ATOM 1044 CE1 PHE A 76 -7.784 13.686 27.239 1.00 13.30 C ATOM 1045 CE2 PHE A 76 -5.803 12.883 28.308 1.00 21.45 C ATOM 1046 CZ PHE A 76 -7.143 13.210 28.366 1.00 15.30 C ATOM 0 H PHE A 76 -4.023 14.828 22.333 1.00 34.55 H new ATOM 0 HA PHE A 76 -5.802 15.653 24.548 1.00 30.41 H new ATOM 0 HB2 PHE A 76 -5.443 13.056 23.933 1.00 42.42 H new ATOM 0 HB3 PHE A 76 -3.962 13.299 24.840 1.00 42.42 H new ATOM 0 HD1 PHE A 76 -7.588 14.208 25.180 1.00 41.11 H new ATOM 0 HD2 PHE A 76 -4.058 12.777 27.086 1.00 64.12 H new ATOM 0 HE1 PHE A 76 -8.833 13.941 27.281 1.00 13.30 H new ATOM 0 HE2 PHE A 76 -5.300 12.509 29.187 1.00 21.45 H new ATOM 0 HZ PHE A 76 -7.689 13.094 29.291 1.00 15.30 H new ATOM 1056 N GLU A 77 -3.643 15.924 26.113 1.00 65.12 N ATOM 1057 CA GLU A 77 -2.523 16.566 26.791 1.00 1.31 C ATOM 1058 C GLU A 77 -1.862 15.608 27.777 1.00 24.32 C ATOM 1059 O GLU A 77 -2.524 14.758 28.373 1.00 52.01 O ATOM 1060 CB GLU A 77 -2.995 17.824 27.524 1.00 34.40 C ATOM 1061 CG GLU A 77 -4.329 17.651 28.232 1.00 62.23 C ATOM 1062 CD GLU A 77 -4.409 18.437 29.526 1.00 43.33 C ATOM 1063 OE1 GLU A 77 -4.425 19.684 29.461 1.00 12.50 O ATOM 1064 OE2 GLU A 77 -4.455 17.806 30.602 1.00 4.53 O ATOM 0 H GLU A 77 -4.372 15.578 26.737 1.00 65.12 H new ATOM 0 HA GLU A 77 -1.788 16.847 26.037 1.00 1.31 H new ATOM 0 HB2 GLU A 77 -2.240 18.113 28.255 1.00 34.40 H new ATOM 0 HB3 GLU A 77 -3.076 18.642 26.809 1.00 34.40 H new ATOM 0 HG2 GLU A 77 -5.133 17.969 27.568 1.00 62.23 H new ATOM 0 HG3 GLU A 77 -4.490 16.594 28.443 1.00 62.23 H new ATOM 1167 N ARG A 85 2.443 19.651 27.903 1.00 61.10 N ATOM 1168 CA ARG A 85 2.829 18.942 26.689 1.00 51.13 C ATOM 1169 C ARG A 85 1.598 18.494 25.906 1.00 11.13 C ATOM 1170 O ARG A 85 0.549 18.214 26.487 1.00 50.22 O ATOM 1171 CB ARG A 85 3.696 17.730 27.034 1.00 71.01 C ATOM 1172 CG ARG A 85 4.727 17.395 25.968 1.00 11.34 C ATOM 1173 CD ARG A 85 5.736 18.520 25.797 1.00 22.11 C ATOM 1174 NE ARG A 85 6.869 18.117 24.969 1.00 65.21 N ATOM 1175 CZ ARG A 85 7.907 18.905 24.709 1.00 74.14 C ATOM 1176 NH1 ARG A 85 7.954 20.131 25.210 1.00 54.52 N ATOM 1177 NH2 ARG A 85 8.900 18.466 23.946 1.00 11.20 N ATOM 0 HA ARG A 85 3.405 19.627 26.066 1.00 51.13 H new ATOM 0 HB2 ARG A 85 4.209 17.918 27.977 1.00 71.01 H new ATOM 0 HB3 ARG A 85 3.051 16.865 27.188 1.00 71.01 H new ATOM 0 HG2 ARG A 85 5.247 16.476 26.239 1.00 11.34 H new ATOM 0 HG3 ARG A 85 4.224 17.208 25.019 1.00 11.34 H new ATOM 0 HD2 ARG A 85 5.245 19.382 25.345 1.00 22.11 H new ATOM 0 HD3 ARG A 85 6.096 18.836 26.776 1.00 22.11 H new ATOM 0 HE ARG A 85 6.864 17.179 24.568 1.00 65.21 H new ATOM 0 HH11 ARG A 85 7.192 20.472 25.797 1.00 54.52 H new ATOM 0 HH12 ARG A 85 8.752 20.734 25.009 1.00 54.52 H new ATOM 0 HH21 ARG A 85 8.867 17.523 23.559 1.00 11.20 H new ATOM 0 HH22 ARG A 85 9.696 19.072 23.747 1.00 11.20 H new ATOM 1191 N ASP A 86 1.734 18.429 24.586 1.00 14.44 N ATOM 1192 CA ASP A 86 0.633 18.015 23.724 1.00 41.10 C ATOM 1193 C ASP A 86 0.942 16.681 23.052 1.00 34.55 C ATOM 1194 O ASP A 86 2.043 16.469 22.544 1.00 73.22 O ATOM 1195 CB ASP A 86 0.358 19.082 22.663 1.00 4.34 C ATOM 1196 CG ASP A 86 1.631 19.712 22.132 1.00 22.05 C ATOM 1197 OD1 ASP A 86 2.191 20.590 22.822 1.00 45.23 O ATOM 1198 OD2 ASP A 86 2.068 19.326 21.028 1.00 13.02 O ATOM 0 H ASP A 86 2.595 18.658 24.090 1.00 14.44 H new ATOM 0 HA ASP A 86 -0.255 17.893 24.344 1.00 41.10 H new ATOM 0 HB2 ASP A 86 -0.195 18.635 21.837 1.00 4.34 H new ATOM 0 HB3 ASP A 86 -0.278 19.858 23.089 1.00 4.34 H new ATOM 1203 N LYS A 87 -0.037 15.782 23.055 1.00 14.33 N ATOM 1204 CA LYS A 87 0.128 14.468 22.447 1.00 71.42 C ATOM 1205 C LYS A 87 -1.020 14.163 21.490 1.00 70.13 C ATOM 1206 O LYS A 87 -2.191 14.244 21.863 1.00 71.12 O ATOM 1207 CB LYS A 87 0.204 13.388 23.529 1.00 62.03 C ATOM 1208 CG LYS A 87 1.470 13.454 24.366 1.00 13.41 C ATOM 1209 CD LYS A 87 2.558 12.555 23.804 1.00 41.50 C ATOM 1210 CE LYS A 87 3.220 13.178 22.584 1.00 23.23 C ATOM 1211 NZ LYS A 87 4.705 13.076 22.647 1.00 53.23 N ATOM 0 H LYS A 87 -0.954 15.941 23.473 1.00 14.33 H new ATOM 0 HA LYS A 87 1.059 14.472 21.880 1.00 71.42 H new ATOM 0 HB2 LYS A 87 -0.661 13.482 24.186 1.00 62.03 H new ATOM 0 HB3 LYS A 87 0.141 12.408 23.057 1.00 62.03 H new ATOM 0 HG2 LYS A 87 1.830 14.482 24.403 1.00 13.41 H new ATOM 0 HG3 LYS A 87 1.246 13.158 25.391 1.00 13.41 H new ATOM 0 HD2 LYS A 87 3.309 12.368 24.571 1.00 41.50 H new ATOM 0 HD3 LYS A 87 2.130 11.589 23.534 1.00 41.50 H new ATOM 0 HE2 LYS A 87 2.860 12.683 21.682 1.00 23.23 H new ATOM 0 HE3 LYS A 87 2.931 14.226 22.509 1.00 23.23 H new ATOM 0 HZ1 LYS A 87 5.119 13.512 21.798 1.00 53.23 H new ATOM 0 HZ2 LYS A 87 5.051 13.570 23.494 1.00 53.23 H new ATOM 0 HZ3 LYS A 87 4.983 12.075 22.693 1.00 53.23 H new ATOM 1225 N LEU A 88 -0.677 13.811 20.255 1.00 34.04 N ATOM 1226 CA LEU A 88 -1.680 13.492 19.245 1.00 41.14 C ATOM 1227 C LEU A 88 -1.712 11.993 18.964 1.00 53.33 C ATOM 1228 O LEU A 88 -0.668 11.356 18.821 1.00 34.14 O ATOM 1229 CB LEU A 88 -1.392 14.259 17.953 1.00 64.44 C ATOM 1230 CG LEU A 88 -2.606 14.855 17.241 1.00 53.41 C ATOM 1231 CD1 LEU A 88 -2.185 15.543 15.952 1.00 51.14 C ATOM 1232 CD2 LEU A 88 -3.642 13.777 16.958 1.00 30.24 C ATOM 0 H LEU A 88 0.287 13.739 19.930 1.00 34.04 H new ATOM 0 HA LEU A 88 -2.655 13.792 19.629 1.00 41.14 H new ATOM 0 HB2 LEU A 88 -0.697 15.067 18.181 1.00 64.44 H new ATOM 0 HB3 LEU A 88 -0.884 13.587 17.261 1.00 64.44 H new ATOM 0 HG LEU A 88 -3.056 15.600 17.896 1.00 53.41 H new ATOM 0 HD11 LEU A 88 -3.063 15.961 15.459 1.00 51.14 H new ATOM 0 HD12 LEU A 88 -1.481 16.343 16.180 1.00 51.14 H new ATOM 0 HD13 LEU A 88 -1.709 14.818 15.292 1.00 51.14 H new ATOM 0 HD21 LEU A 88 -4.499 14.220 16.451 1.00 30.24 H new ATOM 0 HD22 LEU A 88 -3.203 13.008 16.323 1.00 30.24 H new ATOM 0 HD23 LEU A 88 -3.968 13.330 17.897 1.00 30.24 H new ATOM 1244 N ILE A 89 -2.917 11.438 18.883 1.00 24.42 N ATOM 1245 CA ILE A 89 -3.084 10.015 18.616 1.00 74.33 C ATOM 1246 C ILE A 89 -3.767 9.785 17.272 1.00 71.33 C ATOM 1247 O ILE A 89 -4.593 10.589 16.837 1.00 62.44 O ATOM 1248 CB ILE A 89 -3.908 9.327 19.721 1.00 4.31 C ATOM 1249 CG1 ILE A 89 -3.602 9.958 21.081 1.00 34.14 C ATOM 1250 CG2 ILE A 89 -3.618 7.834 19.746 1.00 2.14 C ATOM 1251 CD1 ILE A 89 -2.130 9.966 21.427 1.00 44.44 C ATOM 0 H ILE A 89 -3.791 11.952 18.998 1.00 24.42 H new ATOM 0 HA ILE A 89 -2.085 9.579 18.594 1.00 74.33 H new ATOM 0 HB ILE A 89 -4.967 9.467 19.506 1.00 4.31 H new ATOM 0 HG12 ILE A 89 -3.974 10.982 21.089 1.00 34.14 H new ATOM 0 HG13 ILE A 89 -4.146 9.415 21.854 1.00 34.14 H new ATOM 0 HG21 ILE A 89 -4.208 7.362 20.532 1.00 2.14 H new ATOM 0 HG22 ILE A 89 -3.880 7.396 18.783 1.00 2.14 H new ATOM 0 HG23 ILE A 89 -2.558 7.672 19.941 1.00 2.14 H new ATOM 0 HD11 ILE A 89 -1.988 10.428 22.404 1.00 44.44 H new ATOM 0 HD12 ILE A 89 -1.757 8.942 21.452 1.00 44.44 H new ATOM 0 HD13 ILE A 89 -1.582 10.534 20.675 1.00 44.44 H new ATOM 1263 N LEU A 90 -3.419 8.682 16.619 1.00 64.44 N ATOM 1264 CA LEU A 90 -3.999 8.344 15.324 1.00 71.54 C ATOM 1265 C LEU A 90 -4.504 6.904 15.312 1.00 1.23 C ATOM 1266 O LEU A 90 -3.732 5.964 15.502 1.00 22.11 O ATOM 1267 CB LEU A 90 -2.967 8.543 14.212 1.00 30.13 C ATOM 1268 CG LEU A 90 -3.513 8.557 12.784 1.00 0.51 C ATOM 1269 CD1 LEU A 90 -3.096 9.832 12.066 1.00 35.14 C ATOM 1270 CD2 LEU A 90 -3.036 7.332 12.018 1.00 32.24 C ATOM 0 H LEU A 90 -2.738 8.006 16.965 1.00 64.44 H new ATOM 0 HA LEU A 90 -4.845 9.008 15.149 1.00 71.54 H new ATOM 0 HB2 LEU A 90 -2.448 9.485 14.390 1.00 30.13 H new ATOM 0 HB3 LEU A 90 -2.224 7.750 14.288 1.00 30.13 H new ATOM 0 HG LEU A 90 -4.602 8.530 12.832 1.00 0.51 H new ATOM 0 HD11 LEU A 90 -3.493 9.825 11.051 1.00 35.14 H new ATOM 0 HD12 LEU A 90 -3.487 10.696 12.603 1.00 35.14 H new ATOM 0 HD13 LEU A 90 -2.008 9.890 12.029 1.00 35.14 H new ATOM 0 HD21 LEU A 90 -3.435 7.359 11.004 1.00 32.24 H new ATOM 0 HD22 LEU A 90 -1.947 7.328 11.980 1.00 32.24 H new ATOM 0 HD23 LEU A 90 -3.385 6.430 12.521 1.00 32.24 H new ATOM 1282 N ILE A 91 -5.803 6.740 15.087 1.00 41.14 N ATOM 1283 CA ILE A 91 -6.410 5.415 15.047 1.00 45.30 C ATOM 1284 C ILE A 91 -7.001 5.123 13.672 1.00 34.45 C ATOM 1285 O ILE A 91 -7.824 5.885 13.164 1.00 24.22 O ATOM 1286 CB ILE A 91 -7.514 5.270 16.111 1.00 63.34 C ATOM 1287 CG1 ILE A 91 -6.944 5.527 17.507 1.00 30.12 C ATOM 1288 CG2 ILE A 91 -8.142 3.886 16.036 1.00 53.24 C ATOM 1289 CD1 ILE A 91 -7.135 6.949 17.985 1.00 1.31 C ATOM 0 H ILE A 91 -6.456 7.508 14.930 1.00 41.14 H new ATOM 0 HA ILE A 91 -5.617 4.697 15.258 1.00 45.30 H new ATOM 0 HB ILE A 91 -8.289 6.011 15.914 1.00 63.34 H new ATOM 0 HG12 ILE A 91 -7.418 4.847 18.215 1.00 30.12 H new ATOM 0 HG13 ILE A 91 -5.879 5.293 17.505 1.00 30.12 H new ATOM 0 HG21 ILE A 91 -8.920 3.798 16.794 1.00 53.24 H new ATOM 0 HG22 ILE A 91 -8.579 3.738 15.048 1.00 53.24 H new ATOM 0 HG23 ILE A 91 -7.377 3.129 16.212 1.00 53.24 H new ATOM 0 HD11 ILE A 91 -6.707 7.059 18.981 1.00 1.31 H new ATOM 0 HD12 ILE A 91 -6.637 7.634 17.299 1.00 1.31 H new ATOM 0 HD13 ILE A 91 -8.199 7.181 18.020 1.00 1.31 H new ATOM 1301 N SER A 92 -6.579 4.012 13.076 1.00 1.15 N ATOM 1302 CA SER A 92 -7.066 3.619 11.759 1.00 24.24 C ATOM 1303 C SER A 92 -8.130 2.532 11.876 1.00 62.22 C ATOM 1304 O SER A 92 -7.999 1.602 12.672 1.00 5.53 O ATOM 1305 CB SER A 92 -5.907 3.124 10.891 1.00 33.43 C ATOM 1306 OG SER A 92 -6.112 3.458 9.529 1.00 25.34 O ATOM 0 H SER A 92 -5.901 3.368 13.484 1.00 1.15 H new ATOM 0 HA SER A 92 -7.515 4.493 11.288 1.00 24.24 H new ATOM 0 HB2 SER A 92 -4.973 3.564 11.240 1.00 33.43 H new ATOM 0 HB3 SER A 92 -5.808 2.043 10.993 1.00 33.43 H new ATOM 0 HG SER A 92 -5.783 2.730 8.961 1.00 25.34 H new ATOM 1312 N TRP A 93 -9.183 2.656 11.076 1.00 2.12 N ATOM 1313 CA TRP A 93 -10.271 1.685 11.089 1.00 64.42 C ATOM 1314 C TRP A 93 -10.219 0.794 9.852 1.00 32.35 C ATOM 1315 O TRP A 93 -10.384 1.266 8.729 1.00 43.33 O ATOM 1316 CB TRP A 93 -11.620 2.400 11.161 1.00 54.51 C ATOM 1317 CG TRP A 93 -12.144 2.541 12.558 1.00 11.32 C ATOM 1318 CD1 TRP A 93 -11.417 2.502 13.714 1.00 73.13 C ATOM 1319 CD2 TRP A 93 -13.508 2.742 12.946 1.00 24.01 C ATOM 1320 NE1 TRP A 93 -12.247 2.666 14.797 1.00 61.03 N ATOM 1321 CE2 TRP A 93 -13.534 2.816 14.353 1.00 40.25 C ATOM 1322 CE3 TRP A 93 -14.708 2.868 12.242 1.00 13.44 C ATOM 1323 CZ2 TRP A 93 -14.714 3.010 15.065 1.00 32.44 C ATOM 1324 CZ3 TRP A 93 -15.879 3.060 12.951 1.00 22.05 C ATOM 1325 CH2 TRP A 93 -15.875 3.130 14.351 1.00 70.11 C ATOM 0 H TRP A 93 -9.306 3.419 10.410 1.00 2.12 H new ATOM 0 HA TRP A 93 -10.154 1.057 11.972 1.00 64.42 H new ATOM 0 HB2 TRP A 93 -11.523 3.390 10.716 1.00 54.51 H new ATOM 0 HB3 TRP A 93 -12.346 1.851 10.562 1.00 54.51 H new ATOM 0 HD1 TRP A 93 -10.347 2.363 13.769 1.00 73.13 H new ATOM 0 HE1 TRP A 93 -11.952 2.675 15.773 1.00 61.03 H new ATOM 0 HE3 TRP A 93 -14.721 2.816 11.163 1.00 13.44 H new ATOM 0 HZ2 TRP A 93 -14.713 3.064 16.144 1.00 32.44 H new ATOM 0 HZ3 TRP A 93 -16.813 3.158 12.417 1.00 22.05 H new ATOM 0 HH2 TRP A 93 -16.806 3.282 14.876 1.00 70.11 H new ATOM 1336 N ASN A 94 -9.990 -0.498 10.068 1.00 51.31 N ATOM 1337 CA ASN A 94 -9.917 -1.455 8.970 1.00 41.52 C ATOM 1338 C ASN A 94 -10.114 -2.880 9.476 1.00 34.13 C ATOM 1339 O ASN A 94 -9.160 -3.591 9.793 1.00 11.40 O ATOM 1340 CB ASN A 94 -8.570 -1.338 8.253 1.00 11.02 C ATOM 1341 CG ASN A 94 -8.405 -2.377 7.161 1.00 45.00 C ATOM 1342 OD1 ASN A 94 -7.352 -3.003 7.039 1.00 23.33 O ATOM 1343 ND2 ASN A 94 -9.447 -2.564 6.360 1.00 61.32 N ATOM 0 H ASN A 94 -9.852 -0.906 10.993 1.00 51.31 H new ATOM 0 HA ASN A 94 -10.717 -1.225 8.267 1.00 41.52 H new ATOM 0 HB2 ASN A 94 -8.477 -0.342 7.820 1.00 11.02 H new ATOM 0 HB3 ASN A 94 -7.764 -1.447 8.979 1.00 11.02 H new ATOM 0 HD21 ASN A 94 -9.394 -3.249 5.606 1.00 61.32 H new ATOM 0 HD22 ASN A 94 -10.300 -2.022 6.498 1.00 61.32 H new ATOM 1350 N PRO A 95 -11.383 -3.310 9.555 1.00 44.24 N ATOM 1351 CA PRO A 95 -11.736 -4.654 10.021 1.00 65.14 C ATOM 1352 C PRO A 95 -11.326 -5.738 9.029 1.00 53.42 C ATOM 1353 O PRO A 95 -11.582 -5.623 7.830 1.00 64.32 O ATOM 1354 CB PRO A 95 -13.260 -4.596 10.150 1.00 4.23 C ATOM 1355 CG PRO A 95 -13.680 -3.530 9.198 1.00 73.31 C ATOM 1356 CD PRO A 95 -12.570 -2.517 9.194 1.00 44.35 C ATOM 0 HA PRO A 95 -11.226 -4.911 10.949 1.00 65.14 H new ATOM 0 HB2 PRO A 95 -13.715 -5.554 9.898 1.00 4.23 H new ATOM 0 HB3 PRO A 95 -13.562 -4.358 11.170 1.00 4.23 H new ATOM 0 HG2 PRO A 95 -13.839 -3.939 8.200 1.00 73.31 H new ATOM 0 HG3 PRO A 95 -14.621 -3.077 9.510 1.00 73.31 H new ATOM 0 HD2 PRO A 95 -12.458 -2.048 8.217 1.00 44.35 H new ATOM 0 HD3 PRO A 95 -12.753 -1.718 9.912 1.00 44.35 H new ATOM 1364 N ASP A 96 -10.691 -6.788 9.536 1.00 31.11 N ATOM 1365 CA ASP A 96 -10.248 -7.893 8.694 1.00 22.44 C ATOM 1366 C ASP A 96 -11.424 -8.509 7.942 1.00 24.24 C ATOM 1367 O ASP A 96 -11.245 -9.137 6.899 1.00 75.12 O ATOM 1368 CB ASP A 96 -9.553 -8.961 9.541 1.00 0.34 C ATOM 1369 CG ASP A 96 -10.537 -9.894 10.218 1.00 73.40 C ATOM 1370 OD1 ASP A 96 -11.037 -10.820 9.544 1.00 1.22 O ATOM 1371 OD2 ASP A 96 -10.807 -9.700 11.421 1.00 34.24 O ATOM 0 H ASP A 96 -10.471 -6.898 10.526 1.00 31.11 H new ATOM 0 HA ASP A 96 -9.539 -7.500 7.965 1.00 22.44 H new ATOM 0 HB2 ASP A 96 -8.882 -9.542 8.909 1.00 0.34 H new ATOM 0 HB3 ASP A 96 -8.937 -8.476 10.298 1.00 0.34 H new ATOM 1376 N SER A 97 -12.625 -8.326 8.480 1.00 11.44 N ATOM 1377 CA SER A 97 -13.830 -8.867 7.863 1.00 70.21 C ATOM 1378 C SER A 97 -14.583 -7.783 7.098 1.00 0.22 C ATOM 1379 O SER A 97 -15.739 -7.964 6.718 1.00 63.43 O ATOM 1380 CB SER A 97 -14.741 -9.483 8.927 1.00 70.14 C ATOM 1381 OG SER A 97 -14.286 -10.771 9.304 1.00 2.34 O ATOM 0 H SER A 97 -12.790 -7.807 9.342 1.00 11.44 H new ATOM 0 HA SER A 97 -13.530 -9.643 7.158 1.00 70.21 H new ATOM 0 HB2 SER A 97 -14.773 -8.834 9.803 1.00 70.14 H new ATOM 0 HB3 SER A 97 -15.759 -9.551 8.543 1.00 70.14 H new ATOM 0 HG SER A 97 -13.308 -10.766 9.369 1.00 2.34 H new ATOM 1387 N GLY A 98 -13.918 -6.653 6.877 1.00 63.03 N ATOM 1388 CA GLY A 98 -14.538 -5.555 6.159 1.00 75.12 C ATOM 1389 C GLY A 98 -14.556 -5.779 4.660 1.00 41.23 C ATOM 1390 O GLY A 98 -15.272 -6.648 4.163 1.00 13.44 O ATOM 0 H GLY A 98 -12.961 -6.479 7.183 1.00 63.03 H new ATOM 0 HA2 GLY A 98 -15.559 -5.422 6.516 1.00 75.12 H new ATOM 0 HA3 GLY A 98 -14.001 -4.632 6.379 1.00 75.12 H new ATOM 1394 N ALA A 99 -13.766 -4.992 3.936 1.00 14.33 N ATOM 1395 CA ALA A 99 -13.694 -5.108 2.485 1.00 22.32 C ATOM 1396 C ALA A 99 -12.248 -5.071 2.003 1.00 4.11 C ATOM 1397 O ALA A 99 -11.348 -4.598 2.698 1.00 32.24 O ATOM 1398 CB ALA A 99 -14.501 -4.000 1.826 1.00 41.14 C ATOM 0 H ALA A 99 -13.167 -4.267 4.331 1.00 14.33 H new ATOM 0 HA ALA A 99 -14.120 -6.070 2.200 1.00 22.32 H new ATOM 0 HB1 ALA A 99 -14.438 -4.099 0.742 1.00 41.14 H new ATOM 0 HB2 ALA A 99 -15.543 -4.074 2.137 1.00 41.14 H new ATOM 0 HB3 ALA A 99 -14.101 -3.031 2.125 1.00 41.14 H new ATOM 1404 N PRO A 100 -12.016 -5.581 0.785 1.00 62.25 N ATOM 1405 CA PRO A 100 -10.680 -5.618 0.183 1.00 43.34 C ATOM 1406 C PRO A 100 -10.176 -4.229 -0.196 1.00 12.13 C ATOM 1407 O PRO A 100 -8.982 -3.946 -0.106 1.00 5.33 O ATOM 1408 CB PRO A 100 -10.878 -6.474 -1.070 1.00 74.24 C ATOM 1409 CG PRO A 100 -12.320 -6.319 -1.410 1.00 75.15 C ATOM 1410 CD PRO A 100 -13.040 -6.161 -0.100 1.00 34.42 C ATOM 0 HA PRO A 100 -9.934 -6.013 0.872 1.00 43.34 H new ATOM 0 HB2 PRO A 100 -10.240 -6.135 -1.886 1.00 74.24 H new ATOM 0 HB3 PRO A 100 -10.626 -7.517 -0.881 1.00 74.24 H new ATOM 0 HG2 PRO A 100 -12.479 -5.451 -2.050 1.00 75.15 H new ATOM 0 HG3 PRO A 100 -12.688 -7.188 -1.955 1.00 75.15 H new ATOM 0 HD2 PRO A 100 -13.907 -5.507 -0.194 1.00 34.42 H new ATOM 0 HD3 PRO A 100 -13.402 -7.117 0.277 1.00 34.42 H new ATOM 1418 N ARG A 101 -11.095 -3.367 -0.619 1.00 3.53 N ATOM 1419 CA ARG A 101 -10.743 -2.007 -1.011 1.00 70.24 C ATOM 1420 C ARG A 101 -10.314 -1.185 0.200 1.00 14.15 C ATOM 1421 O ARG A 101 -9.458 -0.306 0.097 1.00 23.23 O ATOM 1422 CB ARG A 101 -11.927 -1.332 -1.706 1.00 63.05 C ATOM 1423 CG ARG A 101 -13.184 -1.278 -0.854 1.00 21.51 C ATOM 1424 CD ARG A 101 -13.518 0.147 -0.443 1.00 23.04 C ATOM 1425 NE ARG A 101 -14.952 0.338 -0.244 1.00 70.32 N ATOM 1426 CZ ARG A 101 -15.497 1.494 0.117 1.00 5.31 C ATOM 1427 NH1 ARG A 101 -14.730 2.558 0.318 1.00 73.51 N ATOM 1428 NH2 ARG A 101 -16.810 1.589 0.278 1.00 53.04 N ATOM 0 H ARG A 101 -12.088 -3.586 -0.699 1.00 3.53 H new ATOM 0 HA ARG A 101 -9.905 -2.061 -1.706 1.00 70.24 H new ATOM 0 HB2 ARG A 101 -11.643 -0.317 -1.984 1.00 63.05 H new ATOM 0 HB3 ARG A 101 -12.147 -1.866 -2.630 1.00 63.05 H new ATOM 0 HG2 ARG A 101 -14.020 -1.703 -1.410 1.00 21.51 H new ATOM 0 HG3 ARG A 101 -13.048 -1.892 0.036 1.00 21.51 H new ATOM 0 HD2 ARG A 101 -12.989 0.392 0.478 1.00 23.04 H new ATOM 0 HD3 ARG A 101 -13.163 0.837 -1.208 1.00 23.04 H new ATOM 0 HE ARG A 101 -15.569 -0.461 -0.390 1.00 70.32 H new ATOM 0 HH11 ARG A 101 -13.720 2.489 0.195 1.00 73.51 H new ATOM 0 HH12 ARG A 101 -15.151 3.445 0.595 1.00 73.51 H new ATOM 0 HH21 ARG A 101 -17.403 0.773 0.125 1.00 53.04 H new ATOM 0 HH22 ARG A 101 -17.227 2.478 0.555 1.00 53.04 H new ATOM 1442 N THR A 102 -10.917 -1.476 1.350 1.00 44.44 N ATOM 1443 CA THR A 102 -10.599 -0.763 2.581 1.00 51.15 C ATOM 1444 C THR A 102 -9.242 -1.189 3.128 1.00 43.31 C ATOM 1445 O THR A 102 -8.416 -0.350 3.491 1.00 31.50 O ATOM 1446 CB THR A 102 -11.672 -1.000 3.660 1.00 54.13 C ATOM 1447 OG1 THR A 102 -11.557 -2.328 4.182 1.00 22.12 O ATOM 1448 CG2 THR A 102 -13.068 -0.793 3.090 1.00 63.43 C ATOM 0 H THR A 102 -11.628 -2.200 1.454 1.00 44.44 H new ATOM 0 HA THR A 102 -10.571 0.298 2.334 1.00 51.15 H new ATOM 0 HB THR A 102 -11.514 -0.280 4.463 1.00 54.13 H new ATOM 0 HG1 THR A 102 -11.578 -2.973 3.444 1.00 22.12 H new ATOM 0 HG21 THR A 102 -13.809 -0.966 3.870 1.00 63.43 H new ATOM 0 HG22 THR A 102 -13.162 0.228 2.720 1.00 63.43 H new ATOM 0 HG23 THR A 102 -13.234 -1.493 2.271 1.00 63.43 H new ATOM 1456 N LYS A 103 -9.016 -2.497 3.184 1.00 5.23 N ATOM 1457 CA LYS A 103 -7.757 -3.035 3.686 1.00 63.23 C ATOM 1458 C LYS A 103 -6.613 -2.733 2.722 1.00 15.22 C ATOM 1459 O LYS A 103 -5.482 -2.494 3.143 1.00 41.21 O ATOM 1460 CB LYS A 103 -7.873 -4.546 3.898 1.00 60.45 C ATOM 1461 CG LYS A 103 -8.292 -5.305 2.650 1.00 11.02 C ATOM 1462 CD LYS A 103 -7.088 -5.749 1.837 1.00 70.51 C ATOM 1463 CE LYS A 103 -7.127 -7.243 1.554 1.00 32.40 C ATOM 1464 NZ LYS A 103 -5.890 -7.711 0.871 1.00 64.25 N ATOM 0 H LYS A 103 -9.688 -3.204 2.888 1.00 5.23 H new ATOM 0 HA LYS A 103 -7.541 -2.555 4.641 1.00 63.23 H new ATOM 0 HB2 LYS A 103 -6.913 -4.931 4.242 1.00 60.45 H new ATOM 0 HB3 LYS A 103 -8.596 -4.739 4.690 1.00 60.45 H new ATOM 0 HG2 LYS A 103 -8.882 -6.177 2.934 1.00 11.02 H new ATOM 0 HG3 LYS A 103 -8.933 -4.672 2.036 1.00 11.02 H new ATOM 0 HD2 LYS A 103 -7.061 -5.200 0.896 1.00 70.51 H new ATOM 0 HD3 LYS A 103 -6.173 -5.503 2.376 1.00 70.51 H new ATOM 0 HE2 LYS A 103 -7.253 -7.787 2.490 1.00 32.40 H new ATOM 0 HE3 LYS A 103 -7.993 -7.472 0.934 1.00 32.40 H new ATOM 0 HZ1 LYS A 103 -5.956 -8.734 0.696 1.00 64.25 H new ATOM 0 HZ2 LYS A 103 -5.783 -7.211 -0.035 1.00 64.25 H new ATOM 0 HZ3 LYS A 103 -5.065 -7.515 1.474 1.00 64.25 H new ATOM 1478 N MET A 104 -6.917 -2.744 1.428 1.00 13.35 N ATOM 1479 CA MET A 104 -5.915 -2.468 0.406 1.00 2.31 C ATOM 1480 C MET A 104 -5.528 -0.992 0.408 1.00 22.24 C ATOM 1481 O MET A 104 -4.345 -0.650 0.397 1.00 65.34 O ATOM 1482 CB MET A 104 -6.440 -2.867 -0.974 1.00 63.13 C ATOM 1483 CG MET A 104 -5.395 -2.767 -2.074 1.00 53.41 C ATOM 1484 SD MET A 104 -5.854 -1.591 -3.362 1.00 60.33 S ATOM 1485 CE MET A 104 -7.266 -2.419 -4.089 1.00 71.50 C ATOM 0 H MET A 104 -7.849 -2.941 1.063 1.00 13.35 H new ATOM 0 HA MET A 104 -5.028 -3.058 0.634 1.00 2.31 H new ATOM 0 HB2 MET A 104 -6.813 -3.890 -0.930 1.00 63.13 H new ATOM 0 HB3 MET A 104 -7.287 -2.230 -1.230 1.00 63.13 H new ATOM 0 HG2 MET A 104 -4.441 -2.469 -1.638 1.00 53.41 H new ATOM 0 HG3 MET A 104 -5.248 -3.750 -2.521 1.00 53.41 H new ATOM 0 HE1 MET A 104 -7.531 -1.930 -5.027 1.00 71.50 H new ATOM 0 HE2 MET A 104 -7.017 -3.462 -4.281 1.00 71.50 H new ATOM 0 HE3 MET A 104 -8.111 -2.369 -3.402 1.00 71.50 H new ATOM 1495 N LEU A 105 -6.532 -0.122 0.423 1.00 25.13 N ATOM 1496 CA LEU A 105 -6.296 1.318 0.427 1.00 70.41 C ATOM 1497 C LEU A 105 -5.551 1.744 1.687 1.00 5.24 C ATOM 1498 O LEU A 105 -4.792 2.714 1.674 1.00 14.21 O ATOM 1499 CB LEU A 105 -7.623 2.072 0.326 1.00 71.54 C ATOM 1500 CG LEU A 105 -8.193 2.242 -1.083 1.00 63.42 C ATOM 1501 CD1 LEU A 105 -9.624 2.752 -1.022 1.00 70.23 C ATOM 1502 CD2 LEU A 105 -7.322 3.186 -1.900 1.00 33.50 C ATOM 0 H LEU A 105 -7.517 -0.388 0.433 1.00 25.13 H new ATOM 0 HA LEU A 105 -5.679 1.563 -0.438 1.00 70.41 H new ATOM 0 HB2 LEU A 105 -8.362 1.550 0.935 1.00 71.54 H new ATOM 0 HB3 LEU A 105 -7.490 3.061 0.764 1.00 71.54 H new ATOM 0 HG LEU A 105 -8.197 1.268 -1.573 1.00 63.42 H new ATOM 0 HD11 LEU A 105 -10.013 2.867 -2.034 1.00 70.23 H new ATOM 0 HD12 LEU A 105 -10.241 2.039 -0.475 1.00 70.23 H new ATOM 0 HD13 LEU A 105 -9.645 3.716 -0.514 1.00 70.23 H new ATOM 0 HD21 LEU A 105 -7.742 3.295 -2.900 1.00 33.50 H new ATOM 0 HD22 LEU A 105 -7.286 4.161 -1.413 1.00 33.50 H new ATOM 0 HD23 LEU A 105 -6.313 2.779 -1.973 1.00 33.50 H new ATOM 1514 N TYR A 106 -5.770 1.012 2.774 1.00 5.41 N ATOM 1515 CA TYR A 106 -5.119 1.315 4.043 1.00 23.03 C ATOM 1516 C TYR A 106 -3.600 1.262 3.903 1.00 14.12 C ATOM 1517 O TYR A 106 -2.886 2.108 4.441 1.00 13.21 O ATOM 1518 CB TYR A 106 -5.577 0.333 5.122 1.00 30.44 C ATOM 1519 CG TYR A 106 -4.789 0.435 6.409 1.00 64.25 C ATOM 1520 CD1 TYR A 106 -4.775 1.612 7.146 1.00 25.14 C ATOM 1521 CD2 TYR A 106 -4.058 -0.647 6.886 1.00 14.43 C ATOM 1522 CE1 TYR A 106 -4.055 1.710 8.321 1.00 21.35 C ATOM 1523 CE2 TYR A 106 -3.337 -0.558 8.061 1.00 31.33 C ATOM 1524 CZ TYR A 106 -3.338 0.622 8.775 1.00 51.11 C ATOM 1525 OH TYR A 106 -2.621 0.715 9.946 1.00 52.12 O ATOM 0 H TYR A 106 -6.393 0.205 2.802 1.00 5.41 H new ATOM 0 HA TYR A 106 -5.404 2.326 4.336 1.00 23.03 H new ATOM 0 HB2 TYR A 106 -6.631 0.508 5.337 1.00 30.44 H new ATOM 0 HB3 TYR A 106 -5.495 -0.683 4.735 1.00 30.44 H new ATOM 0 HD1 TYR A 106 -5.336 2.465 6.795 1.00 25.14 H new ATOM 0 HD2 TYR A 106 -4.054 -1.572 6.329 1.00 14.43 H new ATOM 0 HE1 TYR A 106 -4.053 2.633 8.881 1.00 21.35 H new ATOM 0 HE2 TYR A 106 -2.775 -1.408 8.419 1.00 31.33 H new ATOM 0 HH TYR A 106 -2.728 1.612 10.325 1.00 52.12 H new ATOM 1535 N SER A 107 -3.114 0.261 3.176 1.00 54.43 N ATOM 1536 CA SER A 107 -1.681 0.095 2.966 1.00 20.42 C ATOM 1537 C SER A 107 -1.152 1.131 1.979 1.00 21.04 C ATOM 1538 O SER A 107 -0.077 1.698 2.175 1.00 50.14 O ATOM 1539 CB SER A 107 -1.380 -1.315 2.453 1.00 3.14 C ATOM 1540 OG SER A 107 0.015 -1.515 2.300 1.00 11.25 O ATOM 0 H SER A 107 -3.692 -0.447 2.723 1.00 54.43 H new ATOM 0 HA SER A 107 -1.179 0.242 3.923 1.00 20.42 H new ATOM 0 HB2 SER A 107 -1.782 -2.052 3.148 1.00 3.14 H new ATOM 0 HB3 SER A 107 -1.880 -1.472 1.497 1.00 3.14 H new ATOM 0 HG SER A 107 0.181 -2.424 1.973 1.00 11.25 H new ATOM 1546 N SER A 108 -1.916 1.373 0.919 1.00 64.33 N ATOM 1547 CA SER A 108 -1.523 2.338 -0.102 1.00 32.42 C ATOM 1548 C SER A 108 -1.522 3.755 0.463 1.00 61.03 C ATOM 1549 O SER A 108 -0.824 4.635 -0.041 1.00 24.23 O ATOM 1550 CB SER A 108 -2.468 2.255 -1.302 1.00 14.31 C ATOM 1551 OG SER A 108 -1.851 1.596 -2.394 1.00 25.05 O ATOM 0 H SER A 108 -2.810 0.915 0.744 1.00 64.33 H new ATOM 0 HA SER A 108 -0.512 2.095 -0.428 1.00 32.42 H new ATOM 0 HB2 SER A 108 -3.375 1.722 -1.018 1.00 14.31 H new ATOM 0 HB3 SER A 108 -2.768 3.259 -1.602 1.00 14.31 H new ATOM 0 HG SER A 108 -2.477 1.555 -3.147 1.00 25.05 H new ATOM 1557 N SER A 109 -2.310 3.968 1.512 1.00 44.00 N ATOM 1558 CA SER A 109 -2.403 5.279 2.144 1.00 72.12 C ATOM 1559 C SER A 109 -1.487 5.362 3.361 1.00 44.24 C ATOM 1560 O SER A 109 -1.063 6.447 3.759 1.00 1.30 O ATOM 1561 CB SER A 109 -3.847 5.567 2.559 1.00 75.55 C ATOM 1562 OG SER A 109 -4.094 6.961 2.613 1.00 32.14 O ATOM 0 H SER A 109 -2.893 3.250 1.942 1.00 44.00 H new ATOM 0 HA SER A 109 -2.084 6.028 1.419 1.00 72.12 H new ATOM 0 HB2 SER A 109 -4.532 5.100 1.851 1.00 75.55 H new ATOM 0 HB3 SER A 109 -4.044 5.122 3.534 1.00 75.55 H new ATOM 0 HG SER A 109 -4.765 7.148 3.303 1.00 32.14 H new ATOM 1568 N ARG A 110 -1.185 4.208 3.946 1.00 1.04 N ATOM 1569 CA ARG A 110 -0.320 4.149 5.118 1.00 2.34 C ATOM 1570 C ARG A 110 1.072 4.685 4.795 1.00 54.35 C ATOM 1571 O ARG A 110 1.677 5.395 5.598 1.00 53.52 O ATOM 1572 CB ARG A 110 -0.218 2.712 5.632 1.00 64.24 C ATOM 1573 CG ARG A 110 -0.954 2.479 6.941 1.00 61.32 C ATOM 1574 CD ARG A 110 -0.303 1.373 7.757 1.00 44.20 C ATOM 1575 NE ARG A 110 -0.470 0.063 7.135 1.00 65.53 N ATOM 1576 CZ ARG A 110 0.052 -1.056 7.626 1.00 42.02 C ATOM 1577 NH1 ARG A 110 0.770 -1.023 8.740 1.00 31.12 N ATOM 1578 NH2 ARG A 110 -0.144 -2.211 7.002 1.00 1.32 N ATOM 0 H ARG A 110 -1.526 3.301 3.628 1.00 1.04 H new ATOM 0 HA ARG A 110 -0.760 4.775 5.894 1.00 2.34 H new ATOM 0 HB2 ARG A 110 -0.616 2.036 4.876 1.00 64.24 H new ATOM 0 HB3 ARG A 110 0.833 2.457 5.766 1.00 64.24 H new ATOM 0 HG2 ARG A 110 -0.967 3.401 7.522 1.00 61.32 H new ATOM 0 HG3 ARG A 110 -1.992 2.218 6.735 1.00 61.32 H new ATOM 0 HD2 ARG A 110 0.760 1.586 7.873 1.00 44.20 H new ATOM 0 HD3 ARG A 110 -0.736 1.357 8.757 1.00 44.20 H new ATOM 0 HE ARG A 110 -1.017 0.003 6.276 1.00 65.53 H new ATOM 0 HH11 ARG A 110 0.923 -0.137 9.222 1.00 31.12 H new ATOM 0 HH12 ARG A 110 1.170 -1.883 9.115 1.00 31.12 H new ATOM 0 HH21 ARG A 110 -0.696 -2.240 6.145 1.00 1.32 H new ATOM 0 HH22 ARG A 110 0.257 -3.069 7.380 1.00 1.32 H new ATOM 1592 N ASP A 111 1.573 4.340 3.614 1.00 72.12 N ATOM 1593 CA ASP A 111 2.893 4.786 3.183 1.00 14.41 C ATOM 1594 C ASP A 111 2.955 6.309 3.115 1.00 45.13 C ATOM 1595 O ASP A 111 3.937 6.919 3.538 1.00 51.24 O ATOM 1596 CB ASP A 111 3.237 4.187 1.819 1.00 50.54 C ATOM 1597 CG ASP A 111 4.640 3.614 1.775 1.00 33.04 C ATOM 1598 OD1 ASP A 111 5.606 4.400 1.873 1.00 34.21 O ATOM 1599 OD2 ASP A 111 4.772 2.379 1.645 1.00 54.32 O ATOM 0 H ASP A 111 1.085 3.753 2.938 1.00 72.12 H new ATOM 0 HA ASP A 111 3.624 4.443 3.915 1.00 14.41 H new ATOM 0 HB2 ASP A 111 2.520 3.402 1.579 1.00 50.54 H new ATOM 0 HB3 ASP A 111 3.137 4.956 1.052 1.00 50.54 H new ATOM 1604 N ALA A 112 1.902 6.916 2.578 1.00 10.22 N ATOM 1605 CA ALA A 112 1.837 8.367 2.455 1.00 2.21 C ATOM 1606 C ALA A 112 1.462 9.015 3.784 1.00 73.43 C ATOM 1607 O ALA A 112 1.749 10.189 4.017 1.00 41.52 O ATOM 1608 CB ALA A 112 0.842 8.761 1.374 1.00 51.22 C ATOM 0 H ALA A 112 1.082 6.425 2.221 1.00 10.22 H new ATOM 0 HA ALA A 112 2.826 8.727 2.172 1.00 2.21 H new ATOM 0 HB1 ALA A 112 0.804 9.847 1.293 1.00 51.22 H new ATOM 0 HB2 ALA A 112 1.155 8.337 0.420 1.00 51.22 H new ATOM 0 HB3 ALA A 112 -0.146 8.382 1.633 1.00 51.22 H new ATOM 1614 N LEU A 113 0.818 8.242 4.652 1.00 54.24 N ATOM 1615 CA LEU A 113 0.402 8.741 5.958 1.00 73.01 C ATOM 1616 C LEU A 113 1.551 8.671 6.958 1.00 11.55 C ATOM 1617 O LEU A 113 1.579 9.414 7.940 1.00 45.43 O ATOM 1618 CB LEU A 113 -0.791 7.936 6.477 1.00 21.10 C ATOM 1619 CG LEU A 113 -2.168 8.566 6.268 1.00 53.03 C ATOM 1620 CD1 LEU A 113 -3.241 7.491 6.188 1.00 63.31 C ATOM 1621 CD2 LEU A 113 -2.480 9.551 7.385 1.00 22.44 C ATOM 0 H LEU A 113 0.573 7.268 4.475 1.00 54.24 H new ATOM 0 HA LEU A 113 0.107 9.784 5.844 1.00 73.01 H new ATOM 0 HB2 LEU A 113 -0.783 6.960 5.993 1.00 21.10 H new ATOM 0 HB3 LEU A 113 -0.651 7.764 7.544 1.00 21.10 H new ATOM 0 HG LEU A 113 -2.157 9.110 5.324 1.00 53.03 H new ATOM 0 HD11 LEU A 113 -4.214 7.959 6.039 1.00 63.31 H new ATOM 0 HD12 LEU A 113 -3.027 6.825 5.352 1.00 63.31 H new ATOM 0 HD13 LEU A 113 -3.252 6.918 7.115 1.00 63.31 H new ATOM 0 HD21 LEU A 113 -3.464 9.989 7.219 1.00 22.44 H new ATOM 0 HD22 LEU A 113 -2.471 9.030 8.342 1.00 22.44 H new ATOM 0 HD23 LEU A 113 -1.728 10.340 7.395 1.00 22.44 H new ATOM 1633 N VAL A 114 2.499 7.775 6.702 1.00 14.31 N ATOM 1634 CA VAL A 114 3.652 7.611 7.578 1.00 25.12 C ATOM 1635 C VAL A 114 4.370 8.938 7.797 1.00 15.34 C ATOM 1636 O VAL A 114 4.569 9.386 8.927 1.00 34.41 O ATOM 1637 CB VAL A 114 4.652 6.589 7.004 1.00 33.24 C ATOM 1638 CG1 VAL A 114 6.070 6.929 7.435 1.00 3.11 C ATOM 1639 CG2 VAL A 114 4.278 5.179 7.437 1.00 62.15 C ATOM 0 H VAL A 114 2.491 7.152 5.895 1.00 14.31 H new ATOM 0 HA VAL A 114 3.274 7.244 8.532 1.00 25.12 H new ATOM 0 HB VAL A 114 4.608 6.635 5.916 1.00 33.24 H new ATOM 0 HG11 VAL A 114 6.762 6.196 7.020 1.00 3.11 H new ATOM 0 HG12 VAL A 114 6.332 7.922 7.071 1.00 3.11 H new ATOM 0 HG13 VAL A 114 6.133 6.912 8.523 1.00 3.11 H new ATOM 0 HG21 VAL A 114 4.994 4.469 7.023 1.00 62.15 H new ATOM 0 HG22 VAL A 114 4.293 5.117 8.525 1.00 62.15 H new ATOM 0 HG23 VAL A 114 3.279 4.940 7.073 1.00 62.15 H new ATOM 1649 N PRO A 115 4.767 9.585 6.692 1.00 4.50 N ATOM 1650 CA PRO A 115 5.468 10.872 6.737 1.00 0.41 C ATOM 1651 C PRO A 115 4.562 12.010 7.195 1.00 31.15 C ATOM 1652 O PRO A 115 5.011 12.948 7.856 1.00 62.24 O ATOM 1653 CB PRO A 115 5.906 11.089 5.286 1.00 31.25 C ATOM 1654 CG PRO A 115 4.933 10.304 4.476 1.00 53.41 C ATOM 1655 CD PRO A 115 4.563 9.111 5.313 1.00 5.10 C ATOM 0 HA PRO A 115 6.293 10.861 7.449 1.00 0.41 H new ATOM 0 HB2 PRO A 115 5.882 12.146 5.019 1.00 31.25 H new ATOM 0 HB3 PRO A 115 6.927 10.742 5.124 1.00 31.25 H new ATOM 0 HG2 PRO A 115 4.053 10.901 4.237 1.00 53.41 H new ATOM 0 HG3 PRO A 115 5.374 9.994 3.529 1.00 53.41 H new ATOM 0 HD2 PRO A 115 3.531 8.805 5.142 1.00 5.10 H new ATOM 0 HD3 PRO A 115 5.193 8.251 5.087 1.00 5.10 H new ATOM 1663 N LEU A 116 3.284 11.921 6.842 1.00 4.42 N ATOM 1664 CA LEU A 116 2.314 12.944 7.218 1.00 20.21 C ATOM 1665 C LEU A 116 2.105 12.967 8.729 1.00 75.52 C ATOM 1666 O LEU A 116 2.134 14.026 9.355 1.00 2.43 O ATOM 1667 CB LEU A 116 0.981 12.694 6.511 1.00 51.34 C ATOM 1668 CG LEU A 116 0.299 13.924 5.910 1.00 2.33 C ATOM 1669 CD1 LEU A 116 -0.056 14.923 7.001 1.00 42.34 C ATOM 1670 CD2 LEU A 116 1.193 14.571 4.862 1.00 11.22 C ATOM 0 H LEU A 116 2.896 11.152 6.296 1.00 4.42 H new ATOM 0 HA LEU A 116 2.706 13.913 6.909 1.00 20.21 H new ATOM 0 HB2 LEU A 116 1.146 11.969 5.714 1.00 51.34 H new ATOM 0 HB3 LEU A 116 0.295 12.235 7.223 1.00 51.34 H new ATOM 0 HG LEU A 116 -0.623 13.604 5.424 1.00 2.33 H new ATOM 0 HD11 LEU A 116 -0.540 15.792 6.555 1.00 42.34 H new ATOM 0 HD12 LEU A 116 -0.734 14.456 7.715 1.00 42.34 H new ATOM 0 HD13 LEU A 116 0.852 15.238 7.515 1.00 42.34 H new ATOM 0 HD21 LEU A 116 0.692 15.444 4.445 1.00 11.22 H new ATOM 0 HD22 LEU A 116 2.132 14.877 5.324 1.00 11.22 H new ATOM 0 HD23 LEU A 116 1.397 13.855 4.066 1.00 11.22 H new ATOM 1682 N THR A 117 1.895 11.789 9.310 1.00 55.31 N ATOM 1683 CA THR A 117 1.681 11.674 10.747 1.00 63.41 C ATOM 1684 C THR A 117 2.859 10.981 11.423 1.00 11.14 C ATOM 1685 O THR A 117 2.697 9.937 12.054 1.00 12.03 O ATOM 1686 CB THR A 117 0.391 10.893 11.062 1.00 3.24 C ATOM 1687 OG1 THR A 117 0.420 9.617 10.414 1.00 31.31 O ATOM 1688 CG2 THR A 117 -0.836 11.670 10.610 1.00 44.24 C ATOM 0 H THR A 117 1.869 10.902 8.807 1.00 55.31 H new ATOM 0 HA THR A 117 1.587 12.688 11.136 1.00 63.41 H new ATOM 0 HB THR A 117 0.333 10.750 12.141 1.00 3.24 H new ATOM 0 HG1 THR A 117 0.729 9.726 9.490 1.00 31.31 H new ATOM 0 HG21 THR A 117 -1.735 11.099 10.843 1.00 44.24 H new ATOM 0 HG22 THR A 117 -0.871 12.628 11.128 1.00 44.24 H new ATOM 0 HG23 THR A 117 -0.783 11.840 9.535 1.00 44.24 H new ATOM 1696 N GLN A 118 4.043 11.570 11.288 1.00 72.30 N ATOM 1697 CA GLN A 118 5.248 11.008 11.887 1.00 34.21 C ATOM 1698 C GLN A 118 5.397 11.460 13.336 1.00 41.32 C ATOM 1699 O GLN A 118 5.444 12.656 13.622 1.00 71.04 O ATOM 1700 CB GLN A 118 6.482 11.418 11.082 1.00 10.42 C ATOM 1701 CG GLN A 118 6.643 12.923 10.941 1.00 41.32 C ATOM 1702 CD GLN A 118 7.825 13.460 11.724 1.00 60.10 C ATOM 1703 OE1 GLN A 118 8.901 12.861 11.735 1.00 33.43 O ATOM 1704 NE2 GLN A 118 7.631 14.595 12.385 1.00 45.44 N ATOM 0 H GLN A 118 4.194 12.435 10.770 1.00 72.30 H new ATOM 0 HA GLN A 118 5.158 9.922 11.872 1.00 34.21 H new ATOM 0 HB2 GLN A 118 7.371 11.009 11.562 1.00 10.42 H new ATOM 0 HB3 GLN A 118 6.422 10.973 10.089 1.00 10.42 H new ATOM 0 HG2 GLN A 118 6.766 13.174 9.887 1.00 41.32 H new ATOM 0 HG3 GLN A 118 5.732 13.415 11.282 1.00 41.32 H new ATOM 0 HE21 GLN A 118 6.723 15.058 12.348 1.00 45.44 H new ATOM 0 HE22 GLN A 118 8.390 15.004 12.930 1.00 45.44 H new ATOM 1713 N GLY A 119 5.471 10.495 14.248 1.00 41.34 N ATOM 1714 CA GLY A 119 5.614 10.815 15.656 1.00 32.10 C ATOM 1715 C GLY A 119 4.414 10.379 16.474 1.00 65.21 C ATOM 1716 O GLY A 119 4.565 9.840 17.571 1.00 15.50 O ATOM 0 H GLY A 119 5.434 9.498 14.037 1.00 41.34 H new ATOM 0 HA2 GLY A 119 6.510 10.333 16.046 1.00 32.10 H new ATOM 0 HA3 GLY A 119 5.756 11.890 15.769 1.00 32.10 H new ATOM 1720 N PHE A 120 3.220 10.613 15.941 1.00 71.44 N ATOM 1721 CA PHE A 120 1.989 10.243 16.630 1.00 63.41 C ATOM 1722 C PHE A 120 1.807 8.728 16.642 1.00 23.44 C ATOM 1723 O PHE A 120 2.271 8.030 15.741 1.00 24.43 O ATOM 1724 CB PHE A 120 0.785 10.907 15.960 1.00 72.35 C ATOM 1725 CG PHE A 120 0.999 12.360 15.647 1.00 53.10 C ATOM 1726 CD1 PHE A 120 1.573 13.206 16.582 1.00 12.21 C ATOM 1727 CD2 PHE A 120 0.626 12.880 14.418 1.00 41.20 C ATOM 1728 CE1 PHE A 120 1.770 14.544 16.297 1.00 11.22 C ATOM 1729 CE2 PHE A 120 0.821 14.217 14.127 1.00 2.42 C ATOM 1730 CZ PHE A 120 1.395 15.050 15.068 1.00 52.11 C ATOM 0 H PHE A 120 3.078 11.057 15.034 1.00 71.44 H new ATOM 0 HA PHE A 120 2.060 10.591 17.660 1.00 63.41 H new ATOM 0 HB2 PHE A 120 0.554 10.375 15.037 1.00 72.35 H new ATOM 0 HB3 PHE A 120 -0.083 10.808 16.611 1.00 72.35 H new ATOM 0 HD1 PHE A 120 1.870 12.816 17.544 1.00 12.21 H new ATOM 0 HD2 PHE A 120 0.178 12.233 13.679 1.00 41.20 H new ATOM 0 HE1 PHE A 120 2.217 15.193 17.035 1.00 11.22 H new ATOM 0 HE2 PHE A 120 0.525 14.610 13.166 1.00 2.42 H new ATOM 0 HZ PHE A 120 1.550 16.095 14.843 1.00 52.11 H new ATOM 1740 N GLN A 121 1.129 8.228 17.670 1.00 24.54 N ATOM 1741 CA GLN A 121 0.887 6.796 17.801 1.00 22.41 C ATOM 1742 C GLN A 121 -0.170 6.329 16.805 1.00 5.13 C ATOM 1743 O GLN A 121 -1.360 6.585 16.982 1.00 23.04 O ATOM 1744 CB GLN A 121 0.445 6.460 19.227 1.00 63.35 C ATOM 1745 CG GLN A 121 1.480 6.811 20.283 1.00 24.20 C ATOM 1746 CD GLN A 121 1.471 8.283 20.643 1.00 53.41 C ATOM 1747 OE1 GLN A 121 2.218 9.079 20.072 1.00 20.35 O ATOM 1748 NE2 GLN A 121 0.622 8.655 21.594 1.00 53.12 N ATOM 0 H GLN A 121 0.738 8.793 18.424 1.00 24.54 H new ATOM 0 HA GLN A 121 1.819 6.274 17.585 1.00 22.41 H new ATOM 0 HB2 GLN A 121 -0.481 6.992 19.446 1.00 63.35 H new ATOM 0 HB3 GLN A 121 0.223 5.395 19.288 1.00 63.35 H new ATOM 0 HG2 GLN A 121 1.293 6.221 21.180 1.00 24.20 H new ATOM 0 HG3 GLN A 121 2.471 6.536 19.921 1.00 24.20 H new ATOM 0 HE21 GLN A 121 0.021 7.962 22.041 1.00 53.12 H new ATOM 0 HE22 GLN A 121 0.571 9.633 21.878 1.00 53.12 H new ATOM 1757 N GLY A 122 0.275 5.643 15.756 1.00 35.24 N ATOM 1758 CA GLY A 122 -0.646 5.152 14.747 1.00 21.05 C ATOM 1759 C GLY A 122 -0.973 3.683 14.927 1.00 71.22 C ATOM 1760 O GLY A 122 -0.104 2.824 14.776 1.00 61.34 O ATOM 0 H GLY A 122 1.256 5.419 15.587 1.00 35.24 H new ATOM 0 HA2 GLY A 122 -1.567 5.734 14.786 1.00 21.05 H new ATOM 0 HA3 GLY A 122 -0.213 5.306 13.759 1.00 21.05 H new ATOM 1764 N ILE A 123 -2.229 3.393 15.251 1.00 4.33 N ATOM 1765 CA ILE A 123 -2.667 2.018 15.452 1.00 74.10 C ATOM 1766 C ILE A 123 -3.954 1.734 14.684 1.00 31.24 C ATOM 1767 O ILE A 123 -4.880 2.544 14.686 1.00 14.02 O ATOM 1768 CB ILE A 123 -2.895 1.711 16.944 1.00 3.51 C ATOM 1769 CG1 ILE A 123 -1.697 2.182 17.772 1.00 60.30 C ATOM 1770 CG2 ILE A 123 -3.135 0.223 17.149 1.00 53.25 C ATOM 1771 CD1 ILE A 123 -1.956 3.461 18.537 1.00 70.31 C ATOM 0 H ILE A 123 -2.961 4.092 15.380 1.00 4.33 H new ATOM 0 HA ILE A 123 -1.871 1.375 15.075 1.00 74.10 H new ATOM 0 HB ILE A 123 -3.781 2.251 17.280 1.00 3.51 H new ATOM 0 HG12 ILE A 123 -1.421 1.397 18.476 1.00 60.30 H new ATOM 0 HG13 ILE A 123 -0.844 2.331 17.110 1.00 60.30 H new ATOM 0 HG21 ILE A 123 -3.294 0.023 18.209 1.00 53.25 H new ATOM 0 HG22 ILE A 123 -4.016 -0.085 16.585 1.00 53.25 H new ATOM 0 HG23 ILE A 123 -2.267 -0.337 16.800 1.00 53.25 H new ATOM 0 HD11 ILE A 123 -1.064 3.735 19.101 1.00 70.31 H new ATOM 0 HD12 ILE A 123 -2.202 4.260 17.838 1.00 70.31 H new ATOM 0 HD13 ILE A 123 -2.788 3.311 19.225 1.00 70.31 H new ATOM 1783 N GLN A 124 -4.004 0.577 14.031 1.00 0.51 N ATOM 1784 CA GLN A 124 -5.178 0.186 13.260 1.00 11.22 C ATOM 1785 C GLN A 124 -5.946 -0.927 13.965 1.00 12.14 C ATOM 1786 O GLN A 124 -5.434 -2.031 14.144 1.00 65.34 O ATOM 1787 CB GLN A 124 -4.766 -0.270 11.860 1.00 61.53 C ATOM 1788 CG GLN A 124 -3.593 -1.237 11.856 1.00 63.13 C ATOM 1789 CD GLN A 124 -3.648 -2.218 10.701 1.00 14.21 C ATOM 1790 OE1 GLN A 124 -4.700 -2.419 10.092 1.00 3.42 O ATOM 1791 NE2 GLN A 124 -2.514 -2.835 10.393 1.00 42.01 N ATOM 0 H GLN A 124 -3.246 -0.105 14.021 1.00 0.51 H new ATOM 0 HA GLN A 124 -5.831 1.055 13.174 1.00 11.22 H new ATOM 0 HB2 GLN A 124 -5.619 -0.745 11.376 1.00 61.53 H new ATOM 0 HB3 GLN A 124 -4.507 0.605 11.263 1.00 61.53 H new ATOM 0 HG2 GLN A 124 -2.662 -0.672 11.804 1.00 63.13 H new ATOM 0 HG3 GLN A 124 -3.579 -1.789 12.796 1.00 63.13 H new ATOM 0 HE21 GLN A 124 -1.666 -2.638 10.924 1.00 42.01 H new ATOM 0 HE22 GLN A 124 -2.491 -3.506 9.625 1.00 42.01 H new ATOM 1800 N ALA A 125 -7.178 -0.628 14.365 1.00 40.03 N ATOM 1801 CA ALA A 125 -8.017 -1.604 15.049 1.00 52.21 C ATOM 1802 C ALA A 125 -9.492 -1.374 14.737 1.00 71.31 C ATOM 1803 O ALA A 125 -9.977 -0.245 14.781 1.00 2.50 O ATOM 1804 CB ALA A 125 -7.778 -1.545 16.550 1.00 20.23 C ATOM 0 H ALA A 125 -7.617 0.282 14.227 1.00 40.03 H new ATOM 0 HA ALA A 125 -7.746 -2.596 14.688 1.00 52.21 H new ATOM 0 HB1 ALA A 125 -8.411 -2.279 17.048 1.00 20.23 H new ATOM 0 HB2 ALA A 125 -6.732 -1.766 16.761 1.00 20.23 H new ATOM 0 HB3 ALA A 125 -8.020 -0.548 16.918 1.00 20.23 H new ATOM 1810 N ASN A 126 -10.200 -2.454 14.421 1.00 52.33 N ATOM 1811 CA ASN A 126 -11.620 -2.369 14.100 1.00 74.01 C ATOM 1812 C ASN A 126 -12.474 -2.722 15.314 1.00 54.40 C ATOM 1813 O ASN A 126 -12.018 -3.408 16.229 1.00 41.42 O ATOM 1814 CB ASN A 126 -11.958 -3.303 12.936 1.00 32.21 C ATOM 1815 CG ASN A 126 -12.050 -4.754 13.367 1.00 20.24 C ATOM 1816 OD1 ASN A 126 -11.035 -5.433 13.521 1.00 65.11 O ATOM 1817 ND2 ASN A 126 -13.271 -5.236 13.565 1.00 74.43 N ATOM 0 H ASN A 126 -9.814 -3.397 14.380 1.00 52.33 H new ATOM 0 HA ASN A 126 -11.840 -1.342 13.809 1.00 74.01 H new ATOM 0 HB2 ASN A 126 -12.906 -2.998 12.492 1.00 32.21 H new ATOM 0 HB3 ASN A 126 -11.197 -3.204 12.162 1.00 32.21 H new ATOM 0 HD21 ASN A 126 -13.395 -6.205 13.857 1.00 74.43 H new ATOM 0 HD22 ASN A 126 -14.085 -4.637 13.425 1.00 74.43 H new ATOM 1824 N ASP A 127 -13.716 -2.248 15.315 1.00 64.43 N ATOM 1825 CA ASP A 127 -14.635 -2.515 16.415 1.00 2.31 C ATOM 1826 C ASP A 127 -14.129 -1.886 17.710 1.00 52.32 C ATOM 1827 O ASP A 127 -13.269 -1.006 17.689 1.00 12.23 O ATOM 1828 CB ASP A 127 -14.816 -4.022 16.603 1.00 55.33 C ATOM 1829 CG ASP A 127 -16.268 -4.409 16.809 1.00 42.44 C ATOM 1830 OD1 ASP A 127 -16.902 -3.863 17.736 1.00 1.11 O ATOM 1831 OD2 ASP A 127 -16.770 -5.256 16.042 1.00 62.53 O ATOM 0 H ASP A 127 -14.109 -1.677 14.566 1.00 64.43 H new ATOM 0 HA ASP A 127 -15.598 -2.070 16.167 1.00 2.31 H new ATOM 0 HB2 ASP A 127 -14.424 -4.544 15.730 1.00 55.33 H new ATOM 0 HB3 ASP A 127 -14.230 -4.351 17.461 1.00 55.33 H new ATOM 1836 N ALA A 128 -14.670 -2.343 18.834 1.00 14.43 N ATOM 1837 CA ALA A 128 -14.274 -1.826 20.138 1.00 4.51 C ATOM 1838 C ALA A 128 -12.760 -1.879 20.312 1.00 23.45 C ATOM 1839 O ALA A 128 -12.185 -1.100 21.073 1.00 62.52 O ATOM 1840 CB ALA A 128 -14.963 -2.606 21.247 1.00 22.25 C ATOM 0 H ALA A 128 -15.384 -3.071 18.868 1.00 14.43 H new ATOM 0 HA ALA A 128 -14.584 -0.783 20.197 1.00 4.51 H new ATOM 0 HB1 ALA A 128 -14.658 -2.209 22.215 1.00 22.25 H new ATOM 0 HB2 ALA A 128 -16.044 -2.512 21.141 1.00 22.25 H new ATOM 0 HB3 ALA A 128 -14.682 -3.657 21.181 1.00 22.25 H new ATOM 1846 N SER A 129 -12.120 -2.804 19.604 1.00 25.11 N ATOM 1847 CA SER A 129 -10.672 -2.962 19.684 1.00 32.43 C ATOM 1848 C SER A 129 -9.961 -1.678 19.269 1.00 14.24 C ATOM 1849 O SER A 129 -8.823 -1.429 19.665 1.00 14.02 O ATOM 1850 CB SER A 129 -10.215 -4.121 18.797 1.00 64.43 C ATOM 1851 OG SER A 129 -11.193 -5.146 18.752 1.00 65.04 O ATOM 0 H SER A 129 -12.581 -3.455 18.969 1.00 25.11 H new ATOM 0 HA SER A 129 -10.412 -3.182 20.720 1.00 32.43 H new ATOM 0 HB2 SER A 129 -10.020 -3.756 17.789 1.00 64.43 H new ATOM 0 HB3 SER A 129 -9.277 -4.526 19.177 1.00 64.43 H new ATOM 0 HG SER A 129 -11.759 -5.023 17.962 1.00 65.04 H new ATOM 1857 N GLY A 130 -10.642 -0.864 18.468 1.00 75.21 N ATOM 1858 CA GLY A 130 -10.062 0.385 18.012 1.00 64.14 C ATOM 1859 C GLY A 130 -10.659 1.591 18.709 1.00 41.01 C ATOM 1860 O GLY A 130 -10.548 2.717 18.222 1.00 55.00 O ATOM 0 H GLY A 130 -11.586 -1.048 18.127 1.00 75.21 H new ATOM 0 HA2 GLY A 130 -8.986 0.366 18.184 1.00 64.14 H new ATOM 0 HA3 GLY A 130 -10.212 0.480 16.937 1.00 64.14 H new ATOM 1864 N LEU A 131 -11.295 1.357 19.851 1.00 31.23 N ATOM 1865 CA LEU A 131 -11.914 2.433 20.617 1.00 53.22 C ATOM 1866 C LEU A 131 -11.693 2.234 22.113 1.00 53.41 C ATOM 1867 O LEU A 131 -12.478 2.709 22.935 1.00 62.42 O ATOM 1868 CB LEU A 131 -13.412 2.503 20.316 1.00 55.11 C ATOM 1869 CG LEU A 131 -13.800 2.526 18.837 1.00 64.12 C ATOM 1870 CD1 LEU A 131 -15.310 2.452 18.679 1.00 14.02 C ATOM 1871 CD2 LEU A 131 -13.252 3.774 18.161 1.00 5.52 C ATOM 0 H LEU A 131 -11.396 0.431 20.267 1.00 31.23 H new ATOM 0 HA LEU A 131 -11.446 3.372 20.321 1.00 53.22 H new ATOM 0 HB2 LEU A 131 -13.897 1.647 20.785 1.00 55.11 H new ATOM 0 HB3 LEU A 131 -13.816 3.397 20.791 1.00 55.11 H new ATOM 0 HG LEU A 131 -13.362 1.653 18.354 1.00 64.12 H new ATOM 0 HD11 LEU A 131 -15.566 2.470 17.620 1.00 14.02 H new ATOM 0 HD12 LEU A 131 -15.678 1.528 19.126 1.00 14.02 H new ATOM 0 HD13 LEU A 131 -15.770 3.305 19.178 1.00 14.02 H new ATOM 0 HD21 LEU A 131 -13.538 3.773 17.109 1.00 5.52 H new ATOM 0 HD22 LEU A 131 -13.660 4.660 18.647 1.00 5.52 H new ATOM 0 HD23 LEU A 131 -12.165 3.784 18.242 1.00 5.52 H new ATOM 1883 N ASP A 132 -10.620 1.533 22.459 1.00 61.52 N ATOM 1884 CA ASP A 132 -10.293 1.274 23.856 1.00 33.23 C ATOM 1885 C ASP A 132 -9.595 2.477 24.483 1.00 60.31 C ATOM 1886 O ASP A 132 -8.439 2.766 24.175 1.00 43.42 O ATOM 1887 CB ASP A 132 -9.405 0.034 23.974 1.00 43.44 C ATOM 1888 CG ASP A 132 -10.155 -1.167 24.513 1.00 33.22 C ATOM 1889 OD1 ASP A 132 -11.114 -1.615 23.850 1.00 15.11 O ATOM 1890 OD2 ASP A 132 -9.783 -1.660 25.598 1.00 30.51 O ATOM 0 H ASP A 132 -9.961 1.133 21.791 1.00 61.52 H new ATOM 0 HA ASP A 132 -11.224 1.096 24.394 1.00 33.23 H new ATOM 0 HB2 ASP A 132 -8.993 -0.209 22.994 1.00 43.44 H new ATOM 0 HB3 ASP A 132 -8.562 0.256 24.628 1.00 43.44 H new ATOM 1895 N PHE A 133 -10.305 3.174 25.363 1.00 13.41 N ATOM 1896 CA PHE A 133 -9.755 4.348 26.032 1.00 64.53 C ATOM 1897 C PHE A 133 -8.406 4.027 26.671 1.00 75.25 C ATOM 1898 O PHE A 133 -7.449 4.789 26.539 1.00 73.41 O ATOM 1899 CB PHE A 133 -10.728 4.858 27.097 1.00 62.44 C ATOM 1900 CG PHE A 133 -12.108 5.127 26.568 1.00 64.01 C ATOM 1901 CD1 PHE A 133 -12.332 6.162 25.674 1.00 24.40 C ATOM 1902 CD2 PHE A 133 -13.181 4.346 26.965 1.00 22.32 C ATOM 1903 CE1 PHE A 133 -13.600 6.412 25.185 1.00 11.03 C ATOM 1904 CE2 PHE A 133 -14.451 4.591 26.480 1.00 52.04 C ATOM 1905 CZ PHE A 133 -14.661 5.626 25.590 1.00 54.25 C ATOM 0 H PHE A 133 -11.263 2.947 25.630 1.00 13.41 H new ATOM 0 HA PHE A 133 -9.607 5.126 25.283 1.00 64.53 H new ATOM 0 HB2 PHE A 133 -10.792 4.124 27.900 1.00 62.44 H new ATOM 0 HB3 PHE A 133 -10.330 5.774 27.533 1.00 62.44 H new ATOM 0 HD1 PHE A 133 -11.506 6.780 25.356 1.00 24.40 H new ATOM 0 HD2 PHE A 133 -13.023 3.536 27.662 1.00 22.32 H new ATOM 0 HE1 PHE A 133 -13.761 7.221 24.487 1.00 11.03 H new ATOM 0 HE2 PHE A 133 -15.279 3.974 26.796 1.00 52.04 H new ATOM 0 HZ PHE A 133 -15.654 5.820 25.211 1.00 54.25 H new ATOM 1915 N GLU A 134 -8.341 2.894 27.363 1.00 70.10 N ATOM 1916 CA GLU A 134 -7.111 2.473 28.023 1.00 10.15 C ATOM 1917 C GLU A 134 -5.967 2.359 27.020 1.00 24.45 C ATOM 1918 O GLU A 134 -4.807 2.592 27.358 1.00 3.13 O ATOM 1919 CB GLU A 134 -7.319 1.133 28.732 1.00 60.23 C ATOM 1920 CG GLU A 134 -7.766 1.271 30.177 1.00 15.22 C ATOM 1921 CD GLU A 134 -7.937 -0.069 30.866 1.00 51.11 C ATOM 1922 OE1 GLU A 134 -7.020 -0.910 30.765 1.00 44.24 O ATOM 1923 OE2 GLU A 134 -8.989 -0.276 31.507 1.00 61.23 O ATOM 0 H GLU A 134 -9.125 2.252 27.481 1.00 70.10 H new ATOM 0 HA GLU A 134 -6.848 3.230 28.762 1.00 10.15 H new ATOM 0 HB2 GLU A 134 -8.062 0.554 28.185 1.00 60.23 H new ATOM 0 HB3 GLU A 134 -6.388 0.567 28.701 1.00 60.23 H new ATOM 0 HG2 GLU A 134 -7.035 1.866 30.724 1.00 15.22 H new ATOM 0 HG3 GLU A 134 -8.710 1.816 30.211 1.00 15.22 H new ATOM 1930 N GLU A 135 -6.303 1.997 25.786 1.00 11.03 N ATOM 1931 CA GLU A 135 -5.304 1.850 24.735 1.00 44.13 C ATOM 1932 C GLU A 135 -4.701 3.202 24.365 1.00 43.25 C ATOM 1933 O GLU A 135 -3.490 3.323 24.175 1.00 21.51 O ATOM 1934 CB GLU A 135 -5.925 1.200 23.497 1.00 52.43 C ATOM 1935 CG GLU A 135 -4.910 0.532 22.585 1.00 4.32 C ATOM 1936 CD GLU A 135 -5.559 -0.347 21.534 1.00 23.11 C ATOM 1937 OE1 GLU A 135 -6.494 0.128 20.857 1.00 13.15 O ATOM 1938 OE2 GLU A 135 -5.130 -1.511 21.388 1.00 31.14 O ATOM 0 H GLU A 135 -7.259 1.800 25.490 1.00 11.03 H new ATOM 0 HA GLU A 135 -4.508 1.208 25.113 1.00 44.13 H new ATOM 0 HB2 GLU A 135 -6.658 0.459 23.816 1.00 52.43 H new ATOM 0 HB3 GLU A 135 -6.465 1.959 22.931 1.00 52.43 H new ATOM 0 HG2 GLU A 135 -4.310 1.298 22.093 1.00 4.32 H new ATOM 0 HG3 GLU A 135 -4.228 -0.070 23.186 1.00 4.32 H new ATOM 1945 N ILE A 136 -5.554 4.216 24.263 1.00 63.22 N ATOM 1946 CA ILE A 136 -5.106 5.559 23.916 1.00 63.30 C ATOM 1947 C ILE A 136 -4.261 6.162 25.033 1.00 13.21 C ATOM 1948 O ILE A 136 -3.188 6.713 24.786 1.00 33.41 O ATOM 1949 CB ILE A 136 -6.296 6.492 23.626 1.00 30.01 C ATOM 1950 CG1 ILE A 136 -7.128 5.947 22.464 1.00 74.22 C ATOM 1951 CG2 ILE A 136 -5.804 7.898 23.318 1.00 2.33 C ATOM 1952 CD1 ILE A 136 -8.434 6.682 22.259 1.00 75.21 C ATOM 0 H ILE A 136 -6.559 4.133 24.416 1.00 63.22 H new ATOM 0 HA ILE A 136 -4.500 5.467 23.015 1.00 63.30 H new ATOM 0 HB ILE A 136 -6.929 6.535 24.512 1.00 30.01 H new ATOM 0 HG12 ILE A 136 -6.540 6.005 21.548 1.00 74.22 H new ATOM 0 HG13 ILE A 136 -7.338 4.892 22.641 1.00 74.22 H new ATOM 0 HG21 ILE A 136 -6.657 8.546 23.115 1.00 2.33 H new ATOM 0 HG22 ILE A 136 -5.250 8.285 24.173 1.00 2.33 H new ATOM 0 HG23 ILE A 136 -5.152 7.872 22.445 1.00 2.33 H new ATOM 0 HD11 ILE A 136 -8.971 6.242 21.419 1.00 75.21 H new ATOM 0 HD12 ILE A 136 -9.042 6.602 23.160 1.00 75.21 H new ATOM 0 HD13 ILE A 136 -8.231 7.732 22.050 1.00 75.21 H new ATOM 1964 N SER A 137 -4.752 6.053 26.263 1.00 15.45 N ATOM 1965 CA SER A 137 -4.044 6.590 27.420 1.00 51.25 C ATOM 1966 C SER A 137 -2.681 5.923 27.580 1.00 54.05 C ATOM 1967 O SER A 137 -1.689 6.581 27.892 1.00 62.02 O ATOM 1968 CB SER A 137 -4.874 6.392 28.690 1.00 43.34 C ATOM 1969 OG SER A 137 -5.621 7.556 28.997 1.00 2.53 O ATOM 0 H SER A 137 -5.637 5.598 26.485 1.00 15.45 H new ATOM 0 HA SER A 137 -3.890 7.657 27.258 1.00 51.25 H new ATOM 0 HB2 SER A 137 -5.549 5.547 28.559 1.00 43.34 H new ATOM 0 HB3 SER A 137 -4.216 6.148 29.524 1.00 43.34 H new ATOM 0 HG SER A 137 -6.144 7.404 29.812 1.00 2.53 H new ATOM 1975 N ARG A 138 -2.642 4.612 27.363 1.00 13.32 N ATOM 1976 CA ARG A 138 -1.403 3.855 27.484 1.00 24.33 C ATOM 1977 C ARG A 138 -0.436 4.211 26.359 1.00 63.32 C ATOM 1978 O ARG A 138 0.777 4.268 26.562 1.00 23.52 O ATOM 1979 CB ARG A 138 -1.694 2.353 27.465 1.00 62.01 C ATOM 1980 CG ARG A 138 -0.535 1.501 27.957 1.00 11.54 C ATOM 1981 CD ARG A 138 0.047 0.652 26.838 1.00 3.34 C ATOM 1982 NE ARG A 138 -0.722 -0.570 26.622 1.00 70.02 N ATOM 1983 CZ ARG A 138 -0.490 -1.418 25.626 1.00 3.10 C ATOM 1984 NH1 ARG A 138 0.485 -1.178 24.760 1.00 3.52 N ATOM 1985 NH2 ARG A 138 -1.233 -2.509 25.495 1.00 20.21 N ATOM 0 H ARG A 138 -3.454 4.053 27.103 1.00 13.32 H new ATOM 0 HA ARG A 138 -0.939 4.116 28.435 1.00 24.33 H new ATOM 0 HB2 ARG A 138 -2.569 2.153 28.084 1.00 62.01 H new ATOM 0 HB3 ARG A 138 -1.948 2.054 26.448 1.00 62.01 H new ATOM 0 HG2 ARG A 138 0.242 2.145 28.368 1.00 11.54 H new ATOM 0 HG3 ARG A 138 -0.875 0.855 28.766 1.00 11.54 H new ATOM 0 HD2 ARG A 138 0.070 1.233 25.916 1.00 3.34 H new ATOM 0 HD3 ARG A 138 1.078 0.394 27.078 1.00 3.34 H new ATOM 0 HE ARG A 138 -1.479 -0.784 27.271 1.00 70.02 H new ATOM 0 HH11 ARG A 138 1.059 -0.341 24.858 1.00 3.52 H new ATOM 0 HH12 ARG A 138 0.661 -1.831 23.996 1.00 3.52 H new ATOM 0 HH21 ARG A 138 -1.984 -2.698 26.159 1.00 20.21 H new ATOM 0 HH22 ARG A 138 -1.054 -3.159 24.730 1.00 20.21 H new ATOM 1999 N LYS A 139 -0.981 4.449 25.171 1.00 42.32 N ATOM 2000 CA LYS A 139 -0.168 4.801 24.012 1.00 33.43 C ATOM 2001 C LYS A 139 0.543 6.132 24.230 1.00 53.50 C ATOM 2002 O LYS A 139 1.748 6.248 24.007 1.00 31.01 O ATOM 2003 CB LYS A 139 -1.039 4.875 22.756 1.00 33.32 C ATOM 2004 CG LYS A 139 -0.698 3.821 21.716 1.00 11.53 C ATOM 2005 CD LYS A 139 -1.607 2.609 21.832 1.00 42.14 C ATOM 2006 CE LYS A 139 -1.041 1.415 21.078 1.00 54.12 C ATOM 2007 NZ LYS A 139 -0.121 0.609 21.926 1.00 22.23 N ATOM 0 H LYS A 139 -1.983 4.405 24.985 1.00 42.32 H new ATOM 0 HA LYS A 139 0.586 4.025 23.879 1.00 33.43 H new ATOM 0 HB2 LYS A 139 -2.085 4.766 23.042 1.00 33.32 H new ATOM 0 HB3 LYS A 139 -0.933 5.863 22.308 1.00 33.32 H new ATOM 0 HG2 LYS A 139 -0.788 4.250 20.718 1.00 11.53 H new ATOM 0 HG3 LYS A 139 0.340 3.511 21.837 1.00 11.53 H new ATOM 0 HD2 LYS A 139 -1.737 2.349 22.883 1.00 42.14 H new ATOM 0 HD3 LYS A 139 -2.594 2.854 21.440 1.00 42.14 H new ATOM 0 HE2 LYS A 139 -1.859 0.785 20.729 1.00 54.12 H new ATOM 0 HE3 LYS A 139 -0.508 1.764 20.194 1.00 54.12 H new ATOM 0 HZ1 LYS A 139 0.243 -0.195 21.376 1.00 22.23 H new ATOM 0 HZ2 LYS A 139 0.673 1.203 22.238 1.00 22.23 H new ATOM 0 HZ3 LYS A 139 -0.636 0.255 22.757 1.00 22.23 H new ATOM 2021 N VAL A 140 -0.211 7.136 24.668 1.00 31.11 N ATOM 2022 CA VAL A 140 0.348 8.459 24.919 1.00 53.15 C ATOM 2023 C VAL A 140 1.304 8.436 26.105 1.00 2.05 C ATOM 2024 O VAL A 140 2.334 9.110 26.101 1.00 43.45 O ATOM 2025 CB VAL A 140 -0.760 9.495 25.186 1.00 34.23 C ATOM 2026 CG1 VAL A 140 -1.623 9.063 26.362 1.00 23.54 C ATOM 2027 CG2 VAL A 140 -0.156 10.869 25.434 1.00 33.21 C ATOM 0 H VAL A 140 -1.210 7.058 24.856 1.00 31.11 H new ATOM 0 HA VAL A 140 0.895 8.747 24.021 1.00 53.15 H new ATOM 0 HB VAL A 140 -1.396 9.557 24.303 1.00 34.23 H new ATOM 0 HG11 VAL A 140 -2.400 9.807 26.536 1.00 23.54 H new ATOM 0 HG12 VAL A 140 -2.085 8.101 26.140 1.00 23.54 H new ATOM 0 HG13 VAL A 140 -1.003 8.971 27.254 1.00 23.54 H new ATOM 0 HG21 VAL A 140 -0.953 11.589 25.621 1.00 33.21 H new ATOM 0 HG22 VAL A 140 0.504 10.825 26.300 1.00 33.21 H new ATOM 0 HG23 VAL A 140 0.415 11.179 24.559 1.00 33.21 H new ATOM 2037 N LYS A 141 0.957 7.655 27.123 1.00 61.23 N ATOM 2038 CA LYS A 141 1.785 7.541 28.318 1.00 71.14 C ATOM 2039 C LYS A 141 3.162 6.981 27.974 1.00 13.25 C ATOM 2040 O LYS A 141 4.167 7.372 28.568 1.00 53.31 O ATOM 2041 CB LYS A 141 1.102 6.644 29.353 1.00 54.52 C ATOM 2042 CG LYS A 141 1.785 6.651 30.709 1.00 3.31 C ATOM 2043 CD LYS A 141 2.446 5.316 31.007 1.00 22.11 C ATOM 2044 CE LYS A 141 1.590 4.464 31.932 1.00 1.41 C ATOM 2045 NZ LYS A 141 0.287 4.105 31.307 1.00 11.33 N ATOM 0 H LYS A 141 0.107 7.091 27.144 1.00 61.23 H new ATOM 0 HA LYS A 141 1.912 8.539 28.738 1.00 71.14 H new ATOM 0 HB2 LYS A 141 0.068 6.966 29.475 1.00 54.52 H new ATOM 0 HB3 LYS A 141 1.075 5.622 28.974 1.00 54.52 H new ATOM 0 HG2 LYS A 141 2.534 7.443 30.736 1.00 3.31 H new ATOM 0 HG3 LYS A 141 1.053 6.877 31.485 1.00 3.31 H new ATOM 0 HD2 LYS A 141 2.621 4.779 30.075 1.00 22.11 H new ATOM 0 HD3 LYS A 141 3.421 5.486 31.465 1.00 22.11 H new ATOM 0 HE2 LYS A 141 2.131 3.554 32.192 1.00 1.41 H new ATOM 0 HE3 LYS A 141 1.410 5.005 32.861 1.00 1.41 H new ATOM 0 HZ1 LYS A 141 -0.238 3.469 31.940 1.00 11.33 H new ATOM 0 HZ2 LYS A 141 -0.269 4.968 31.144 1.00 11.33 H new ATOM 0 HZ3 LYS A 141 0.457 3.626 30.400 1.00 11.33 H new ATOM 2059 N SER A 142 3.200 6.065 27.012 1.00 30.24 N ATOM 2060 CA SER A 142 4.454 5.450 26.592 1.00 75.20 C ATOM 2061 C SER A 142 5.212 6.363 25.633 1.00 33.31 C ATOM 2062 O SER A 142 6.440 6.339 25.578 1.00 44.14 O ATOM 2063 CB SER A 142 4.185 4.100 25.924 1.00 70.10 C ATOM 2064 OG SER A 142 5.356 3.303 25.895 1.00 5.11 O ATOM 0 H SER A 142 2.377 5.732 26.509 1.00 30.24 H new ATOM 0 HA SER A 142 5.069 5.293 27.478 1.00 75.20 H new ATOM 0 HB2 SER A 142 3.397 3.574 26.463 1.00 70.10 H new ATOM 0 HB3 SER A 142 3.824 4.259 24.908 1.00 70.10 H new ATOM 0 HG SER A 142 5.157 2.445 25.465 1.00 5.11 H new ATOM 2070 N ASN A 143 4.469 7.166 24.879 1.00 14.53 N ATOM 2071 CA ASN A 143 5.070 8.088 23.921 1.00 35.54 C ATOM 2072 C ASN A 143 5.819 7.327 22.832 1.00 24.21 C ATOM 2073 O ASN A 143 6.764 7.845 22.236 1.00 14.53 O ATOM 2074 CB ASN A 143 6.022 9.049 24.635 1.00 12.03 C ATOM 2075 CG ASN A 143 5.409 9.647 25.887 1.00 54.33 C ATOM 2076 OD1 ASN A 143 5.430 9.036 26.955 1.00 4.22 O ATOM 2077 ND2 ASN A 143 4.857 10.849 25.759 1.00 62.41 N ATOM 0 H ASN A 143 3.450 7.197 24.912 1.00 14.53 H new ATOM 0 HA ASN A 143 4.269 8.662 23.454 1.00 35.54 H new ATOM 0 HB2 ASN A 143 6.937 8.520 24.899 1.00 12.03 H new ATOM 0 HB3 ASN A 143 6.303 9.851 23.953 1.00 12.03 H new ATOM 0 HD21 ASN A 143 4.428 11.302 26.566 1.00 62.41 H new ATOM 0 HD22 ASN A 143 4.863 11.319 24.854 1.00 62.41 H new ATOM 2084 N ARG A 144 5.392 6.095 22.577 1.00 33.41 N ATOM 2085 CA ARG A 144 6.023 5.262 21.560 1.00 34.02 C ATOM 2086 C ARG A 144 6.114 6.004 20.230 1.00 74.21 C ATOM 2087 O ARG A 144 7.207 6.267 19.729 1.00 53.53 O ATOM 2088 CB ARG A 144 5.239 3.961 21.378 1.00 22.30 C ATOM 2089 CG ARG A 144 6.073 2.711 21.609 1.00 74.35 C ATOM 2090 CD ARG A 144 5.420 1.484 20.990 1.00 1.22 C ATOM 2091 NE ARG A 144 6.353 0.366 20.878 1.00 34.22 N ATOM 2092 CZ ARG A 144 6.179 -0.656 20.047 1.00 14.22 C ATOM 2093 NH1 ARG A 144 5.113 -0.700 19.259 1.00 1.34 N ATOM 2094 NH2 ARG A 144 7.072 -1.636 20.003 1.00 72.03 N ATOM 0 H ARG A 144 4.611 5.651 23.061 1.00 33.41 H new ATOM 0 HA ARG A 144 7.033 5.026 21.895 1.00 34.02 H new ATOM 0 HB2 ARG A 144 4.394 3.956 22.067 1.00 22.30 H new ATOM 0 HB3 ARG A 144 4.828 3.932 20.369 1.00 22.30 H new ATOM 0 HG2 ARG A 144 7.066 2.851 21.182 1.00 74.35 H new ATOM 0 HG3 ARG A 144 6.206 2.553 22.679 1.00 74.35 H new ATOM 0 HD2 ARG A 144 4.565 1.184 21.596 1.00 1.22 H new ATOM 0 HD3 ARG A 144 5.037 1.737 20.001 1.00 1.22 H new ATOM 0 HE ARG A 144 7.184 0.370 21.470 1.00 34.22 H new ATOM 0 HH11 ARG A 144 4.424 0.052 19.290 1.00 1.34 H new ATOM 0 HH12 ARG A 144 4.982 -1.486 18.622 1.00 1.34 H new ATOM 0 HH21 ARG A 144 7.893 -1.605 20.607 1.00 72.03 H new ATOM 0 HH22 ARG A 144 6.938 -2.420 19.365 1.00 72.03 H new