USER MOD reduce.3.24.130724 H: found=0, std=0, add=973, rem=0, adj=22 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 106 TYR OH : rot 0:sc= -0.36 USER MOD Set 1.2: A 124 GLN : amide:sc= -3.31 K(o=-3.7,f=-5.1) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 20 CYS SG : rot 70:sc= -1.16 USER MOD Single : A 22 THR OG1 : rot 70:sc= 0.47 USER MOD Single : A 25 ASN : amide:sc= 0.123 X(o=0.12,f=0) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=-0.0034) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 160:sc= -0.328 USER MOD Single : A 34 TYR OH : rot 120:sc= -0.524 USER MOD Single : A 37 MET CE :methyl 174:sc= -3.5 (180deg=-3.64!) USER MOD Single : A 38 HIS :FLIP no HD1:sc= -0.516 F(o=-1.6,f=-0.52) USER MOD Single : A 42 GLN : amide:sc= -0.135 X(o=-0.14,f=-0.011) 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 -10:sc= 0.817 USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -0.569 X(o=-0.57,f=-0.66) USER MOD Single : A 70 CYS SG : rot -49:sc= 0.548 USER MOD Single : A 71 TYR OH : rot 150:sc= -0.822 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot -110:sc= -0.0697 USER MOD Single : A 94 ASN : amide:sc= -0.249 X(o=-0.25,f=-0.42) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot -174:sc= 0.402 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 17:sc= 0.629 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot -160:sc= -0.657 USER MOD Single : A 117 THR OG1 : rot 49:sc= 0.902 USER MOD Single : A 118 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 121 GLN : amide:sc= -0.158 K(o=-0.16,f=-2.3!) USER MOD Single : A 126 ASN : amide:sc= -0.0997 K(o=-0.1,f=-0.6) USER MOD Single : A 129 SER OG : rot 180:sc= 0 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 SER OG : rot -160:sc= -0.412 USER MOD Single : A 143 ASN : amide:sc= -0.0693 K(o=-0.069,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 63 N VAL A 14 -4.871 7.657 -3.327 1.00 31.34 N ATOM 64 CA VAL A 14 -5.351 8.104 -2.025 1.00 11.33 C ATOM 65 C VAL A 14 -4.408 9.137 -1.417 1.00 34.23 C ATOM 66 O VAL A 14 -3.558 8.806 -0.590 1.00 72.34 O ATOM 67 CB VAL A 14 -5.502 6.924 -1.046 1.00 55.52 C ATOM 68 CG1 VAL A 14 -4.259 6.049 -1.068 1.00 45.42 C ATOM 69 CG2 VAL A 14 -5.783 7.432 0.360 1.00 24.12 C ATOM 0 HA VAL A 14 -6.328 8.559 -2.187 1.00 11.33 H new ATOM 0 HB VAL A 14 -6.349 6.316 -1.364 1.00 55.52 H new ATOM 0 HG11 VAL A 14 -4.384 5.221 -0.370 1.00 45.42 H new ATOM 0 HG12 VAL A 14 -4.108 5.656 -2.074 1.00 45.42 H new ATOM 0 HG13 VAL A 14 -3.392 6.641 -0.776 1.00 45.42 H new ATOM 0 HG21 VAL A 14 -5.887 6.585 1.039 1.00 24.12 H new ATOM 0 HG22 VAL A 14 -4.958 8.063 0.691 1.00 24.12 H new ATOM 0 HG23 VAL A 14 -6.706 8.012 0.360 1.00 24.12 H new ATOM 79 N SER A 15 -4.565 10.390 -1.831 1.00 73.12 N ATOM 80 CA SER A 15 -3.726 11.472 -1.330 1.00 22.31 C ATOM 81 C SER A 15 -4.488 12.329 -0.324 1.00 24.14 C ATOM 82 O SER A 15 -5.686 12.566 -0.474 1.00 33.41 O ATOM 83 CB SER A 15 -3.233 12.341 -2.488 1.00 4.52 C ATOM 84 OG SER A 15 -2.013 11.847 -3.013 1.00 42.43 O ATOM 0 H SER A 15 -5.266 10.681 -2.512 1.00 73.12 H new ATOM 0 HA SER A 15 -2.867 11.029 -0.826 1.00 22.31 H new ATOM 0 HB2 SER A 15 -3.987 12.366 -3.275 1.00 4.52 H new ATOM 0 HB3 SER A 15 -3.096 13.366 -2.145 1.00 4.52 H new ATOM 0 HG SER A 15 -1.720 12.419 -3.753 1.00 42.43 H new ATOM 90 N VAL A 16 -3.782 12.792 0.704 1.00 73.23 N ATOM 91 CA VAL A 16 -4.390 13.624 1.735 1.00 31.33 C ATOM 92 C VAL A 16 -4.520 15.069 1.269 1.00 12.54 C ATOM 93 O VAL A 16 -3.537 15.696 0.874 1.00 34.23 O ATOM 94 CB VAL A 16 -3.572 13.588 3.040 1.00 62.13 C ATOM 95 CG1 VAL A 16 -3.614 12.199 3.659 1.00 51.22 C ATOM 96 CG2 VAL A 16 -2.137 14.021 2.780 1.00 41.31 C ATOM 0 H VAL A 16 -2.789 12.605 0.844 1.00 73.23 H new ATOM 0 HA VAL A 16 -5.383 13.217 1.926 1.00 31.33 H new ATOM 0 HB VAL A 16 -4.017 14.288 3.747 1.00 62.13 H new ATOM 0 HG11 VAL A 16 -3.031 12.193 4.580 1.00 51.22 H new ATOM 0 HG12 VAL A 16 -4.647 11.931 3.882 1.00 51.22 H new ATOM 0 HG13 VAL A 16 -3.195 11.476 2.959 1.00 51.22 H new ATOM 0 HG21 VAL A 16 -1.573 13.990 3.712 1.00 41.31 H new ATOM 0 HG22 VAL A 16 -1.679 13.347 2.056 1.00 41.31 H new ATOM 0 HG23 VAL A 16 -2.129 15.037 2.385 1.00 41.31 H new ATOM 106 N ALA A 17 -5.740 15.594 1.319 1.00 34.11 N ATOM 107 CA ALA A 17 -5.999 16.967 0.905 1.00 51.24 C ATOM 108 C ALA A 17 -5.346 17.961 1.859 1.00 10.01 C ATOM 109 O ALA A 17 -5.110 17.651 3.027 1.00 14.42 O ATOM 110 CB ALA A 17 -7.497 17.220 0.820 1.00 32.34 C ATOM 0 H ALA A 17 -6.565 15.089 1.642 1.00 34.11 H new ATOM 0 HA ALA A 17 -5.561 17.110 -0.083 1.00 51.24 H new ATOM 0 HB1 ALA A 17 -7.675 18.250 0.510 1.00 32.34 H new ATOM 0 HB2 ALA A 17 -7.940 16.540 0.093 1.00 32.34 H new ATOM 0 HB3 ALA A 17 -7.950 17.052 1.797 1.00 32.34 H new ATOM 116 N ASP A 18 -5.055 19.155 1.355 1.00 54.04 N ATOM 117 CA ASP A 18 -4.429 20.195 2.163 1.00 74.10 C ATOM 118 C ASP A 18 -5.225 20.443 3.441 1.00 71.43 C ATOM 119 O ASP A 18 -4.652 20.696 4.500 1.00 54.32 O ATOM 120 CB ASP A 18 -4.311 21.492 1.361 1.00 14.13 C ATOM 121 CG ASP A 18 -2.969 21.626 0.670 1.00 24.53 C ATOM 122 OD1 ASP A 18 -1.954 21.809 1.375 1.00 1.21 O ATOM 123 OD2 ASP A 18 -2.932 21.545 -0.575 1.00 53.42 O ATOM 0 H ASP A 18 -5.243 19.427 0.390 1.00 54.04 H new ATOM 0 HA ASP A 18 -3.431 19.855 2.438 1.00 74.10 H new ATOM 0 HB2 ASP A 18 -5.105 21.528 0.615 1.00 14.13 H new ATOM 0 HB3 ASP A 18 -4.460 22.342 2.027 1.00 14.13 H new ATOM 128 N GLU A 19 -6.548 20.368 3.332 1.00 1.11 N ATOM 129 CA GLU A 19 -7.421 20.586 4.479 1.00 14.40 C ATOM 130 C GLU A 19 -7.087 19.618 5.610 1.00 62.01 C ATOM 131 O GLU A 19 -7.145 19.977 6.787 1.00 50.14 O ATOM 132 CB GLU A 19 -8.887 20.424 4.070 1.00 20.34 C ATOM 133 CG GLU A 19 -9.240 19.017 3.616 1.00 3.34 C ATOM 134 CD GLU A 19 -10.687 18.890 3.183 1.00 33.14 C ATOM 135 OE1 GLU A 19 -11.557 18.711 4.062 1.00 45.02 O ATOM 136 OE2 GLU A 19 -10.951 18.969 1.965 1.00 4.51 O ATOM 0 H GLU A 19 -7.038 20.158 2.462 1.00 1.11 H new ATOM 0 HA GLU A 19 -7.261 21.603 4.836 1.00 14.40 H new ATOM 0 HB2 GLU A 19 -9.523 20.695 4.913 1.00 20.34 H new ATOM 0 HB3 GLU A 19 -9.110 21.124 3.264 1.00 20.34 H new ATOM 0 HG2 GLU A 19 -8.591 18.733 2.788 1.00 3.34 H new ATOM 0 HG3 GLU A 19 -9.045 18.317 4.429 1.00 3.34 H new ATOM 143 N CYS A 20 -6.737 18.390 5.245 1.00 73.34 N ATOM 144 CA CYS A 20 -6.395 17.368 6.228 1.00 45.03 C ATOM 145 C CYS A 20 -5.084 17.708 6.930 1.00 32.45 C ATOM 146 O CYS A 20 -4.978 17.605 8.153 1.00 71.33 O ATOM 147 CB CYS A 20 -6.286 15.999 5.555 1.00 74.04 C ATOM 148 SG CYS A 20 -5.693 14.685 6.646 1.00 72.23 S ATOM 0 H CYS A 20 -6.682 18.078 4.276 1.00 73.34 H new ATOM 0 HA CYS A 20 -7.189 17.336 6.974 1.00 45.03 H new ATOM 0 HB2 CYS A 20 -7.265 15.719 5.165 1.00 74.04 H new ATOM 0 HB3 CYS A 20 -5.613 16.079 4.701 1.00 74.04 H new ATOM 0 HG CYS A 20 -6.608 14.406 7.526 1.00 72.23 H new ATOM 154 N VAL A 21 -4.087 18.112 6.150 1.00 72.45 N ATOM 155 CA VAL A 21 -2.783 18.466 6.697 1.00 60.14 C ATOM 156 C VAL A 21 -2.899 19.610 7.697 1.00 12.13 C ATOM 157 O VAL A 21 -2.346 19.548 8.796 1.00 53.20 O ATOM 158 CB VAL A 21 -1.798 18.870 5.583 1.00 14.22 C ATOM 159 CG1 VAL A 21 -0.396 19.043 6.147 1.00 33.00 C ATOM 160 CG2 VAL A 21 -1.809 17.840 4.464 1.00 44.33 C ATOM 0 H VAL A 21 -4.158 18.202 5.136 1.00 72.45 H new ATOM 0 HA VAL A 21 -2.402 17.580 7.205 1.00 60.14 H new ATOM 0 HB VAL A 21 -2.117 19.826 5.168 1.00 14.22 H new ATOM 0 HG11 VAL A 21 0.286 19.328 5.346 1.00 33.00 H new ATOM 0 HG12 VAL A 21 -0.404 19.821 6.911 1.00 33.00 H new ATOM 0 HG13 VAL A 21 -0.063 18.104 6.589 1.00 33.00 H new ATOM 0 HG21 VAL A 21 -1.108 18.141 3.686 1.00 44.33 H new ATOM 0 HG22 VAL A 21 -1.515 16.868 4.861 1.00 44.33 H new ATOM 0 HG23 VAL A 21 -2.812 17.772 4.042 1.00 44.33 H new ATOM 170 N THR A 22 -3.623 20.656 7.311 1.00 51.13 N ATOM 171 CA THR A 22 -3.812 21.816 8.173 1.00 31.41 C ATOM 172 C THR A 22 -4.604 21.448 9.423 1.00 51.13 C ATOM 173 O THR A 22 -4.276 21.881 10.527 1.00 41.52 O ATOM 174 CB THR A 22 -4.541 22.953 7.433 1.00 1.23 C ATOM 175 OG1 THR A 22 -4.147 22.973 6.057 1.00 53.53 O ATOM 176 CG2 THR A 22 -4.234 24.299 8.074 1.00 73.34 C ATOM 0 H THR A 22 -4.089 20.723 6.406 1.00 51.13 H new ATOM 0 HA THR A 22 -2.819 22.160 8.463 1.00 31.41 H new ATOM 0 HB THR A 22 -5.614 22.772 7.500 1.00 1.23 H new ATOM 0 HG1 THR A 22 -4.519 22.191 5.599 1.00 53.53 H new ATOM 0 HG21 THR A 22 -4.760 25.087 7.535 1.00 73.34 H new ATOM 0 HG22 THR A 22 -4.561 24.290 9.114 1.00 73.34 H new ATOM 0 HG23 THR A 22 -3.161 24.485 8.033 1.00 73.34 H new ATOM 184 N ALA A 23 -5.648 20.646 9.241 1.00 30.04 N ATOM 185 CA ALA A 23 -6.485 20.218 10.355 1.00 12.03 C ATOM 186 C ALA A 23 -5.662 19.493 11.414 1.00 25.21 C ATOM 187 O ALA A 23 -5.807 19.747 12.610 1.00 11.15 O ATOM 188 CB ALA A 23 -7.611 19.325 9.856 1.00 32.34 C ATOM 0 H ALA A 23 -5.934 20.280 8.333 1.00 30.04 H new ATOM 0 HA ALA A 23 -6.917 21.107 10.815 1.00 12.03 H new ATOM 0 HB1 ALA A 23 -8.228 19.013 10.698 1.00 32.34 H new ATOM 0 HB2 ALA A 23 -8.223 19.876 9.142 1.00 32.34 H new ATOM 0 HB3 ALA A 23 -7.189 18.445 9.369 1.00 32.34 H new ATOM 194 N LEU A 24 -4.797 18.589 10.967 1.00 20.43 N ATOM 195 CA LEU A 24 -3.950 17.825 11.877 1.00 3.21 C ATOM 196 C LEU A 24 -2.908 18.724 12.534 1.00 4.43 C ATOM 197 O LEU A 24 -2.622 18.593 13.724 1.00 42.34 O ATOM 198 CB LEU A 24 -3.257 16.687 11.126 1.00 61.11 C ATOM 199 CG LEU A 24 -4.175 15.721 10.376 1.00 21.12 C ATOM 200 CD1 LEU A 24 -3.458 15.128 9.174 1.00 64.44 C ATOM 201 CD2 LEU A 24 -4.663 14.619 11.306 1.00 43.04 C ATOM 0 H LEU A 24 -4.664 18.367 9.980 1.00 20.43 H new ATOM 0 HA LEU A 24 -4.584 17.404 12.657 1.00 3.21 H new ATOM 0 HB2 LEU A 24 -2.559 17.122 10.411 1.00 61.11 H new ATOM 0 HB3 LEU A 24 -2.666 16.114 11.840 1.00 61.11 H new ATOM 0 HG LEU A 24 -5.041 16.277 10.018 1.00 21.12 H new ATOM 0 HD11 LEU A 24 -4.127 14.443 8.653 1.00 64.44 H new ATOM 0 HD12 LEU A 24 -3.159 15.929 8.497 1.00 64.44 H new ATOM 0 HD13 LEU A 24 -2.573 14.587 9.509 1.00 64.44 H new ATOM 0 HD21 LEU A 24 -5.315 13.941 10.756 1.00 43.04 H new ATOM 0 HD22 LEU A 24 -3.808 14.065 11.694 1.00 43.04 H new ATOM 0 HD23 LEU A 24 -5.216 15.061 12.135 1.00 43.04 H new ATOM 213 N ASN A 25 -2.345 19.639 11.752 1.00 43.35 N ATOM 214 CA ASN A 25 -1.335 20.562 12.258 1.00 13.00 C ATOM 215 C ASN A 25 -1.881 21.376 13.427 1.00 5.43 C ATOM 216 O ASN A 25 -1.218 21.528 14.454 1.00 42.53 O ATOM 217 CB ASN A 25 -0.866 21.500 11.144 1.00 74.34 C ATOM 218 CG ASN A 25 0.532 21.168 10.659 1.00 11.12 C ATOM 219 OD1 ASN A 25 1.523 21.564 11.273 1.00 63.45 O ATOM 220 ND2 ASN A 25 0.617 20.439 9.553 1.00 61.32 N ATOM 0 H ASN A 25 -2.571 19.761 10.765 1.00 43.35 H new ATOM 0 HA ASN A 25 -0.486 19.976 12.610 1.00 13.00 H new ATOM 0 HB2 ASN A 25 -1.562 21.442 10.307 1.00 74.34 H new ATOM 0 HB3 ASN A 25 -0.888 22.528 11.505 1.00 74.34 H new ATOM 0 HD21 ASN A 25 1.531 20.185 9.179 1.00 61.32 H new ATOM 0 HD22 ASN A 25 -0.232 20.133 9.077 1.00 61.32 H new ATOM 227 N ASP A 26 -3.092 21.897 13.265 1.00 62.04 N ATOM 228 CA ASP A 26 -3.728 22.695 14.307 1.00 64.52 C ATOM 229 C ASP A 26 -4.157 21.816 15.478 1.00 64.12 C ATOM 230 O ASP A 26 -4.040 22.210 16.639 1.00 62.10 O ATOM 231 CB ASP A 26 -4.938 23.439 13.742 1.00 40.52 C ATOM 232 CG ASP A 26 -4.678 24.000 12.357 1.00 33.22 C ATOM 233 OD1 ASP A 26 -3.554 24.487 12.115 1.00 11.33 O ATOM 234 OD2 ASP A 26 -5.599 23.950 11.515 1.00 10.13 O ATOM 0 H ASP A 26 -3.654 21.781 12.421 1.00 62.04 H new ATOM 0 HA ASP A 26 -3.001 23.422 14.669 1.00 64.52 H new ATOM 0 HB2 ASP A 26 -5.791 22.762 13.702 1.00 40.52 H new ATOM 0 HB3 ASP A 26 -5.208 24.252 14.416 1.00 40.52 H new ATOM 239 N LEU A 27 -4.654 20.625 15.165 1.00 34.44 N ATOM 240 CA LEU A 27 -5.102 19.690 16.192 1.00 73.54 C ATOM 241 C LEU A 27 -3.982 19.391 17.183 1.00 51.31 C ATOM 242 O LEU A 27 -4.200 19.375 18.395 1.00 41.25 O ATOM 243 CB LEU A 27 -5.589 18.390 15.548 1.00 23.20 C ATOM 244 CG LEU A 27 -6.531 17.533 16.394 1.00 10.35 C ATOM 245 CD1 LEU A 27 -7.856 18.249 16.608 1.00 3.24 C ATOM 246 CD2 LEU A 27 -6.755 16.179 15.738 1.00 23.33 C ATOM 0 H LEU A 27 -4.757 20.284 14.209 1.00 34.44 H new ATOM 0 HA LEU A 27 -5.927 20.152 16.734 1.00 73.54 H new ATOM 0 HB2 LEU A 27 -6.095 18.638 14.615 1.00 23.20 H new ATOM 0 HB3 LEU A 27 -4.718 17.788 15.288 1.00 23.20 H new ATOM 0 HG LEU A 27 -6.067 17.370 17.367 1.00 10.35 H new ATOM 0 HD11 LEU A 27 -8.514 17.624 17.212 1.00 3.24 H new ATOM 0 HD12 LEU A 27 -7.680 19.194 17.122 1.00 3.24 H new ATOM 0 HD13 LEU A 27 -8.325 18.443 15.643 1.00 3.24 H new ATOM 0 HD21 LEU A 27 -7.428 15.583 16.354 1.00 23.33 H new ATOM 0 HD22 LEU A 27 -7.197 16.321 14.752 1.00 23.33 H new ATOM 0 HD23 LEU A 27 -5.801 15.661 15.637 1.00 23.33 H new ATOM 258 N ARG A 28 -2.783 19.158 16.660 1.00 62.30 N ATOM 259 CA ARG A 28 -1.628 18.861 17.499 1.00 10.21 C ATOM 260 C ARG A 28 -1.290 20.047 18.398 1.00 51.23 C ATOM 261 O ARG A 28 -0.678 19.885 19.454 1.00 61.22 O ATOM 262 CB ARG A 28 -0.419 18.504 16.632 1.00 33.32 C ATOM 263 CG ARG A 28 0.443 19.701 16.267 1.00 63.44 C ATOM 264 CD ARG A 28 1.119 19.509 14.918 1.00 53.34 C ATOM 265 NE ARG A 28 2.572 19.613 15.014 1.00 42.34 N ATOM 266 CZ ARG A 28 3.392 19.429 13.984 1.00 13.54 C ATOM 267 NH1 ARG A 28 2.903 19.134 12.788 1.00 53.41 N ATOM 268 NH2 ARG A 28 4.703 19.541 14.151 1.00 43.31 N ATOM 0 H ARG A 28 -2.586 19.169 15.659 1.00 62.30 H new ATOM 0 HA ARG A 28 -1.879 18.008 18.130 1.00 10.21 H new ATOM 0 HB2 ARG A 28 0.193 17.774 17.161 1.00 33.32 H new ATOM 0 HB3 ARG A 28 -0.767 18.025 15.717 1.00 33.32 H new ATOM 0 HG2 ARG A 28 -0.173 20.600 16.242 1.00 63.44 H new ATOM 0 HG3 ARG A 28 1.200 19.854 17.036 1.00 63.44 H new ATOM 0 HD2 ARG A 28 0.851 18.533 14.514 1.00 53.34 H new ATOM 0 HD3 ARG A 28 0.748 20.256 14.217 1.00 53.34 H new ATOM 0 HE ARG A 28 2.980 19.839 15.921 1.00 42.34 H new ATOM 0 HH11 ARG A 28 1.895 19.048 12.656 1.00 53.41 H new ATOM 0 HH12 ARG A 28 3.534 18.993 11.999 1.00 53.41 H new ATOM 0 HH21 ARG A 28 5.082 19.768 15.070 1.00 43.31 H new ATOM 0 HH22 ARG A 28 5.332 19.400 13.360 1.00 43.31 H new ATOM 282 N HIS A 29 -1.692 21.240 17.971 1.00 54.11 N ATOM 283 CA HIS A 29 -1.432 22.454 18.737 1.00 73.21 C ATOM 284 C HIS A 29 -2.618 22.795 19.634 1.00 33.41 C ATOM 285 O HIS A 29 -2.771 23.935 20.073 1.00 74.22 O ATOM 286 CB HIS A 29 -1.137 23.622 17.796 1.00 13.41 C ATOM 287 CG HIS A 29 0.179 24.286 18.060 1.00 64.22 C ATOM 288 ND1 HIS A 29 0.291 25.581 18.520 1.00 52.03 N ATOM 289 CD2 HIS A 29 1.445 23.825 17.927 1.00 2.11 C ATOM 290 CE1 HIS A 29 1.568 25.889 18.657 1.00 62.21 C ATOM 291 NE2 HIS A 29 2.290 24.840 18.304 1.00 14.22 N ATOM 0 H HIS A 29 -2.199 21.392 17.099 1.00 54.11 H new ATOM 0 HA HIS A 29 -0.561 22.277 19.368 1.00 73.21 H new ATOM 0 HB2 HIS A 29 -1.153 23.262 16.767 1.00 13.41 H new ATOM 0 HB3 HIS A 29 -1.933 24.361 17.887 1.00 13.41 H new ATOM 0 HD2 HIS A 29 1.736 22.842 17.588 1.00 2.11 H new ATOM 0 HE1 HIS A 29 1.956 26.837 18.999 1.00 62.21 H new ATOM 0 HE2 HIS A 29 3.309 24.792 18.310 1.00 14.22 H new ATOM 299 N LYS A 30 -3.456 21.799 19.903 1.00 71.23 N ATOM 300 CA LYS A 30 -4.629 21.992 20.748 1.00 65.42 C ATOM 301 C LYS A 30 -5.585 23.006 20.129 1.00 45.32 C ATOM 302 O LYS A 30 -6.071 23.911 20.807 1.00 3.33 O ATOM 303 CB LYS A 30 -4.206 22.458 22.143 1.00 51.12 C ATOM 304 CG LYS A 30 -3.074 21.641 22.740 1.00 5.33 C ATOM 305 CD LYS A 30 -2.959 21.860 24.240 1.00 43.25 C ATOM 306 CE LYS A 30 -2.509 23.277 24.563 1.00 22.31 C ATOM 307 NZ LYS A 30 -2.262 23.461 26.020 1.00 64.10 N ATOM 0 H LYS A 30 -3.344 20.849 19.548 1.00 71.23 H new ATOM 0 HA LYS A 30 -5.147 21.037 20.832 1.00 65.42 H new ATOM 0 HB2 LYS A 30 -3.900 23.503 22.091 1.00 51.12 H new ATOM 0 HB3 LYS A 30 -5.067 22.411 22.809 1.00 51.12 H new ATOM 0 HG2 LYS A 30 -3.241 20.583 22.538 1.00 5.33 H new ATOM 0 HG3 LYS A 30 -2.135 21.913 22.259 1.00 5.33 H new ATOM 0 HD2 LYS A 30 -3.922 21.666 24.712 1.00 43.25 H new ATOM 0 HD3 LYS A 30 -2.249 21.147 24.660 1.00 43.25 H new ATOM 0 HE2 LYS A 30 -1.598 23.504 24.009 1.00 22.31 H new ATOM 0 HE3 LYS A 30 -3.269 23.984 24.231 1.00 22.31 H new ATOM 0 HZ1 LYS A 30 -1.957 24.439 26.200 1.00 64.10 H new ATOM 0 HZ2 LYS A 30 -3.137 23.269 26.548 1.00 64.10 H new ATOM 0 HZ3 LYS A 30 -1.519 22.804 26.332 1.00 64.10 H new ATOM 321 N LYS A 31 -5.852 22.849 18.837 1.00 65.03 N ATOM 322 CA LYS A 31 -6.752 23.749 18.126 1.00 43.22 C ATOM 323 C LYS A 31 -8.202 23.494 18.523 1.00 31.12 C ATOM 324 O LYS A 31 -8.887 24.389 19.018 1.00 3.12 O ATOM 325 CB LYS A 31 -6.588 23.578 16.614 1.00 73.11 C ATOM 326 CG LYS A 31 -7.592 24.376 15.799 1.00 23.24 C ATOM 327 CD LYS A 31 -8.503 23.467 14.992 1.00 61.14 C ATOM 328 CE LYS A 31 -8.911 24.113 13.677 1.00 53.33 C ATOM 329 NZ LYS A 31 -9.898 23.282 12.933 1.00 14.33 N ATOM 0 H LYS A 31 -5.457 22.106 18.260 1.00 65.03 H new ATOM 0 HA LYS A 31 -6.494 24.772 18.400 1.00 43.22 H new ATOM 0 HB2 LYS A 31 -5.580 23.880 16.330 1.00 73.11 H new ATOM 0 HB3 LYS A 31 -6.687 22.522 16.363 1.00 73.11 H new ATOM 0 HG2 LYS A 31 -8.192 24.996 16.465 1.00 23.24 H new ATOM 0 HG3 LYS A 31 -7.062 25.051 15.127 1.00 23.24 H new ATOM 0 HD2 LYS A 31 -7.994 22.524 14.793 1.00 61.14 H new ATOM 0 HD3 LYS A 31 -9.393 23.232 15.575 1.00 61.14 H new ATOM 0 HE2 LYS A 31 -9.339 25.096 13.873 1.00 53.33 H new ATOM 0 HE3 LYS A 31 -8.027 24.267 13.059 1.00 53.33 H new ATOM 0 HZ1 LYS A 31 -10.151 23.757 12.043 1.00 14.33 H new ATOM 0 HZ2 LYS A 31 -9.481 22.352 12.724 1.00 14.33 H new ATOM 0 HZ3 LYS A 31 -10.752 23.156 13.512 1.00 14.33 H new ATOM 343 N SER A 32 -8.664 22.267 18.304 1.00 23.34 N ATOM 344 CA SER A 32 -10.034 21.895 18.638 1.00 63.33 C ATOM 345 C SER A 32 -10.056 20.707 19.595 1.00 74.10 C ATOM 346 O SER A 32 -10.307 20.864 20.790 1.00 30.41 O ATOM 347 CB SER A 32 -10.816 21.555 17.367 1.00 1.44 C ATOM 348 OG SER A 32 -11.817 22.525 17.111 1.00 71.11 O ATOM 0 H SER A 32 -8.110 21.514 17.897 1.00 23.34 H new ATOM 0 HA SER A 32 -10.506 22.745 19.131 1.00 63.33 H new ATOM 0 HB2 SER A 32 -10.133 21.500 16.519 1.00 1.44 H new ATOM 0 HB3 SER A 32 -11.275 20.572 17.471 1.00 1.44 H new ATOM 0 HG SER A 32 -12.080 22.482 16.168 1.00 71.11 H new ATOM 354 N ARG A 33 -9.793 19.519 19.060 1.00 2.14 N ATOM 355 CA ARG A 33 -9.784 18.304 19.866 1.00 60.23 C ATOM 356 C ARG A 33 -9.431 17.089 19.013 1.00 62.13 C ATOM 357 O ARG A 33 -8.346 16.520 19.143 1.00 54.44 O ATOM 358 CB ARG A 33 -11.147 18.096 20.529 1.00 61.03 C ATOM 359 CG ARG A 33 -11.299 16.739 21.196 1.00 71.33 C ATOM 360 CD ARG A 33 -12.666 16.587 21.845 1.00 41.04 C ATOM 361 NE ARG A 33 -12.622 16.849 23.281 1.00 51.23 N ATOM 362 CZ ARG A 33 -13.555 16.436 24.132 1.00 44.31 C ATOM 363 NH1 ARG A 33 -14.598 15.745 23.694 1.00 43.04 N ATOM 364 NH2 ARG A 33 -13.444 16.714 25.425 1.00 54.23 N ATOM 0 H ARG A 33 -9.583 19.372 18.073 1.00 2.14 H new ATOM 0 HA ARG A 33 -9.025 18.417 20.640 1.00 60.23 H new ATOM 0 HB2 ARG A 33 -11.302 18.877 21.274 1.00 61.03 H new ATOM 0 HB3 ARG A 33 -11.928 18.212 19.778 1.00 61.03 H new ATOM 0 HG2 ARG A 33 -11.156 15.951 20.457 1.00 71.33 H new ATOM 0 HG3 ARG A 33 -10.521 16.614 21.949 1.00 71.33 H new ATOM 0 HD2 ARG A 33 -13.370 17.272 21.373 1.00 41.04 H new ATOM 0 HD3 ARG A 33 -13.039 15.578 21.672 1.00 41.04 H new ATOM 0 HE ARG A 33 -11.832 17.378 23.651 1.00 51.23 H new ATOM 0 HH11 ARG A 33 -14.686 15.529 22.701 1.00 43.04 H new ATOM 0 HH12 ARG A 33 -15.313 15.429 24.350 1.00 43.04 H new ATOM 0 HH21 ARG A 33 -12.642 17.245 25.766 1.00 54.23 H new ATOM 0 HH22 ARG A 33 -14.160 16.397 26.078 1.00 54.23 H new ATOM 378 N TYR A 34 -10.353 16.696 18.141 1.00 12.32 N ATOM 379 CA TYR A 34 -10.141 15.547 17.269 1.00 2.30 C ATOM 380 C TYR A 34 -10.686 15.817 15.870 1.00 42.42 C ATOM 381 O TYR A 34 -11.640 16.576 15.698 1.00 31.11 O ATOM 382 CB TYR A 34 -10.809 14.303 17.857 1.00 1.54 C ATOM 383 CG TYR A 34 -12.305 14.261 17.644 1.00 51.52 C ATOM 384 CD1 TYR A 34 -12.847 13.701 16.494 1.00 62.34 C ATOM 385 CD2 TYR A 34 -13.177 14.783 18.591 1.00 11.23 C ATOM 386 CE1 TYR A 34 -14.213 13.661 16.294 1.00 72.33 C ATOM 387 CE2 TYR A 34 -14.545 14.746 18.400 1.00 3.25 C ATOM 388 CZ TYR A 34 -15.058 14.184 17.250 1.00 1.21 C ATOM 389 OH TYR A 34 -16.420 14.147 17.056 1.00 63.33 O ATOM 0 H TYR A 34 -11.255 17.157 18.019 1.00 12.32 H new ATOM 0 HA TYR A 34 -9.067 15.374 17.194 1.00 2.30 H new ATOM 0 HB2 TYR A 34 -10.362 13.415 17.410 1.00 1.54 H new ATOM 0 HB3 TYR A 34 -10.601 14.261 18.926 1.00 1.54 H new ATOM 0 HD1 TYR A 34 -12.189 13.290 15.743 1.00 62.34 H new ATOM 0 HD2 TYR A 34 -12.779 15.225 19.492 1.00 11.23 H new ATOM 0 HE1 TYR A 34 -14.617 13.222 15.394 1.00 72.33 H new ATOM 0 HE2 TYR A 34 -15.209 15.155 19.147 1.00 3.25 H new ATOM 0 HH TYR A 34 -16.839 13.634 17.778 1.00 63.33 H new ATOM 399 N VAL A 35 -10.072 15.190 14.872 1.00 71.24 N ATOM 400 CA VAL A 35 -10.495 15.360 13.487 1.00 72.43 C ATOM 401 C VAL A 35 -10.607 14.015 12.777 1.00 22.23 C ATOM 402 O VAL A 35 -9.644 13.249 12.722 1.00 31.15 O ATOM 403 CB VAL A 35 -9.518 16.259 12.707 1.00 4.23 C ATOM 404 CG1 VAL A 35 -9.548 17.679 13.252 1.00 20.14 C ATOM 405 CG2 VAL A 35 -8.109 15.688 12.763 1.00 22.11 C ATOM 0 H VAL A 35 -9.280 14.560 14.997 1.00 71.24 H new ATOM 0 HA VAL A 35 -11.475 15.837 13.513 1.00 72.43 H new ATOM 0 HB VAL A 35 -9.833 16.289 11.664 1.00 4.23 H new ATOM 0 HG11 VAL A 35 -8.851 18.300 12.689 1.00 20.14 H new ATOM 0 HG12 VAL A 35 -10.555 18.085 13.156 1.00 20.14 H new ATOM 0 HG13 VAL A 35 -9.259 17.672 14.303 1.00 20.14 H new ATOM 0 HG21 VAL A 35 -7.432 16.336 12.207 1.00 22.11 H new ATOM 0 HG22 VAL A 35 -7.782 15.627 13.801 1.00 22.11 H new ATOM 0 HG23 VAL A 35 -8.102 14.691 12.321 1.00 22.11 H new ATOM 415 N ILE A 36 -11.787 13.734 12.235 1.00 0.22 N ATOM 416 CA ILE A 36 -12.024 12.482 11.527 1.00 3.14 C ATOM 417 C ILE A 36 -12.185 12.719 10.030 1.00 51.22 C ATOM 418 O ILE A 36 -12.929 13.604 9.608 1.00 72.01 O ATOM 419 CB ILE A 36 -13.277 11.763 12.060 1.00 71.21 C ATOM 420 CG1 ILE A 36 -13.215 11.645 13.584 1.00 32.22 C ATOM 421 CG2 ILE A 36 -13.410 10.388 11.422 1.00 50.13 C ATOM 422 CD1 ILE A 36 -14.410 10.938 14.185 1.00 53.15 C ATOM 0 H ILE A 36 -12.594 14.357 12.273 1.00 0.22 H new ATOM 0 HA ILE A 36 -11.152 11.851 11.700 1.00 3.14 H new ATOM 0 HB ILE A 36 -14.155 12.352 11.796 1.00 71.21 H new ATOM 0 HG12 ILE A 36 -12.308 11.108 13.862 1.00 32.22 H new ATOM 0 HG13 ILE A 36 -13.139 12.643 14.015 1.00 32.22 H new ATOM 0 HG21 ILE A 36 -14.300 9.892 11.809 1.00 50.13 H new ATOM 0 HG22 ILE A 36 -13.495 10.495 10.341 1.00 50.13 H new ATOM 0 HG23 ILE A 36 -12.530 9.790 11.659 1.00 50.13 H new ATOM 0 HD11 ILE A 36 -14.298 10.891 15.268 1.00 53.15 H new ATOM 0 HD12 ILE A 36 -15.319 11.486 13.938 1.00 53.15 H new ATOM 0 HD13 ILE A 36 -14.475 9.927 13.783 1.00 53.15 H new ATOM 434 N MET A 37 -11.484 11.921 9.231 1.00 0.30 N ATOM 435 CA MET A 37 -11.552 12.042 7.779 1.00 11.53 C ATOM 436 C MET A 37 -11.682 10.671 7.125 1.00 75.22 C ATOM 437 O MET A 37 -11.287 9.657 7.701 1.00 32.11 O ATOM 438 CB MET A 37 -10.309 12.758 7.247 1.00 12.41 C ATOM 439 CG MET A 37 -10.343 14.265 7.447 1.00 31.24 C ATOM 440 SD MET A 37 -8.881 14.885 8.300 1.00 4.31 S ATOM 441 CE MET A 37 -8.983 13.986 9.846 1.00 63.34 C ATOM 0 H MET A 37 -10.863 11.184 9.564 1.00 0.30 H new ATOM 0 HA MET A 37 -12.436 12.629 7.529 1.00 11.53 H new ATOM 0 HB2 MET A 37 -9.427 12.354 7.743 1.00 12.41 H new ATOM 0 HB3 MET A 37 -10.203 12.543 6.184 1.00 12.41 H new ATOM 0 HG2 MET A 37 -10.428 14.755 6.477 1.00 31.24 H new ATOM 0 HG3 MET A 37 -11.232 14.532 8.018 1.00 31.24 H new ATOM 0 HE1 MET A 37 -8.090 14.181 10.440 1.00 63.34 H new ATOM 0 HE2 MET A 37 -9.864 14.311 10.399 1.00 63.34 H new ATOM 0 HE3 MET A 37 -9.057 12.918 9.642 1.00 63.34 H new ATOM 451 N HIS A 38 -12.239 10.646 5.918 1.00 13.30 N ATOM 452 CA HIS A 38 -12.421 9.398 5.185 1.00 14.42 C ATOM 453 C HIS A 38 -11.903 9.527 3.756 1.00 10.00 C ATOM 454 O HIS A 38 -11.660 10.632 3.271 1.00 13.50 O ATOM 455 CB HIS A 38 -13.898 9.001 5.171 1.00 42.51 C ATOM 456 CG HIS A 38 -14.758 9.924 4.364 1.00 13.51 C ATOM 457 ND1 HIS A 38 -14.924 11.266 4.433 1.00 62.23 N flip ATOM 458 CD2 HIS A 38 -15.579 9.490 3.345 1.00 55.14 C flip ATOM 459 CE1 HIS A 38 -15.832 11.614 3.462 1.00 41.22 C flip ATOM 460 NE2 HIS A 38 -16.211 10.524 2.820 1.00 1.15 N flip ATOM 0 H HIS A 38 -12.572 11.476 5.427 1.00 13.30 H new ATOM 0 HA HIS A 38 -11.848 8.621 5.691 1.00 14.42 H new ATOM 0 HB2 HIS A 38 -13.990 7.990 4.773 1.00 42.51 H new ATOM 0 HB3 HIS A 38 -14.269 8.975 6.196 1.00 42.51 H new ATOM 0 HD2 HIS A 38 -15.688 8.464 3.026 1.00 55.14 H new ATOM 0 HE1 HIS A 38 -16.179 12.616 3.257 1.00 41.22 H new ATOM 0 HE2 HIS A 38 -16.878 10.487 2.050 1.00 1.15 H new ATOM 468 N ILE A 39 -11.735 8.391 3.088 1.00 33.32 N ATOM 469 CA ILE A 39 -11.246 8.377 1.715 1.00 12.22 C ATOM 470 C ILE A 39 -12.390 8.556 0.722 1.00 21.24 C ATOM 471 O ILE A 39 -13.367 7.806 0.742 1.00 5.55 O ATOM 472 CB ILE A 39 -10.503 7.067 1.395 1.00 74.40 C ATOM 473 CG1 ILE A 39 -9.497 6.742 2.501 1.00 34.31 C ATOM 474 CG2 ILE A 39 -9.803 7.170 0.048 1.00 11.13 C ATOM 475 CD1 ILE A 39 -8.728 5.462 2.261 1.00 31.43 C ATOM 0 H ILE A 39 -11.930 7.468 3.475 1.00 33.32 H new ATOM 0 HA ILE A 39 -10.551 9.211 1.619 1.00 12.22 H new ATOM 0 HB ILE A 39 -11.231 6.257 1.343 1.00 74.40 H new ATOM 0 HG12 ILE A 39 -8.792 7.568 2.594 1.00 34.31 H new ATOM 0 HG13 ILE A 39 -10.026 6.666 3.451 1.00 34.31 H new ATOM 0 HG21 ILE A 39 -9.282 6.236 -0.164 1.00 11.13 H new ATOM 0 HG22 ILE A 39 -10.541 7.359 -0.732 1.00 11.13 H new ATOM 0 HG23 ILE A 39 -9.084 7.989 0.073 1.00 11.13 H new ATOM 0 HD11 ILE A 39 -8.034 5.295 3.084 1.00 31.43 H new ATOM 0 HD12 ILE A 39 -9.424 4.626 2.198 1.00 31.43 H new ATOM 0 HD13 ILE A 39 -8.171 5.542 1.327 1.00 31.43 H new ATOM 487 N VAL A 40 -12.261 9.553 -0.147 1.00 71.23 N ATOM 488 CA VAL A 40 -13.282 9.829 -1.151 1.00 33.42 C ATOM 489 C VAL A 40 -12.790 9.470 -2.549 1.00 11.55 C ATOM 490 O VAL A 40 -11.712 9.894 -2.966 1.00 11.22 O ATOM 491 CB VAL A 40 -13.703 11.310 -1.131 1.00 14.04 C ATOM 492 CG1 VAL A 40 -14.745 11.584 -2.205 1.00 3.01 C ATOM 493 CG2 VAL A 40 -14.229 11.695 0.244 1.00 53.21 C ATOM 0 H VAL A 40 -11.460 10.183 -0.176 1.00 71.23 H new ATOM 0 HA VAL A 40 -14.145 9.211 -0.903 1.00 33.42 H new ATOM 0 HB VAL A 40 -12.827 11.922 -1.345 1.00 14.04 H new ATOM 0 HG11 VAL A 40 -15.030 12.636 -2.175 1.00 3.01 H new ATOM 0 HG12 VAL A 40 -14.329 11.348 -3.184 1.00 3.01 H new ATOM 0 HG13 VAL A 40 -15.624 10.965 -2.026 1.00 3.01 H new ATOM 0 HG21 VAL A 40 -14.522 12.745 0.241 1.00 53.21 H new ATOM 0 HG22 VAL A 40 -15.093 11.078 0.489 1.00 53.21 H new ATOM 0 HG23 VAL A 40 -13.449 11.539 0.989 1.00 53.21 H new ATOM 503 N ASP A 41 -13.587 8.688 -3.268 1.00 11.21 N ATOM 504 CA ASP A 41 -13.234 8.274 -4.621 1.00 23.34 C ATOM 505 C ASP A 41 -11.966 7.426 -4.615 1.00 65.14 C ATOM 506 O ASP A 41 -11.342 7.219 -5.656 1.00 75.22 O ATOM 507 CB ASP A 41 -13.040 9.497 -5.518 1.00 14.23 C ATOM 508 CG ASP A 41 -13.788 9.376 -6.831 1.00 64.13 C ATOM 509 OD1 ASP A 41 -13.492 8.435 -7.598 1.00 31.13 O ATOM 510 OD2 ASP A 41 -14.668 10.221 -7.093 1.00 14.44 O ATOM 0 H ASP A 41 -14.482 8.328 -2.937 1.00 11.21 H new ATOM 0 HA ASP A 41 -14.052 7.671 -5.015 1.00 23.34 H new ATOM 0 HB2 ASP A 41 -13.380 10.388 -4.991 1.00 14.23 H new ATOM 0 HB3 ASP A 41 -11.977 9.631 -5.720 1.00 14.23 H new ATOM 515 N GLN A 42 -11.590 6.940 -3.437 1.00 23.32 N ATOM 516 CA GLN A 42 -10.395 6.116 -3.297 1.00 3.13 C ATOM 517 C GLN A 42 -9.200 6.768 -3.985 1.00 12.51 C ATOM 518 O GLN A 42 -8.315 6.083 -4.498 1.00 11.50 O ATOM 519 CB GLN A 42 -10.638 4.724 -3.882 1.00 23.21 C ATOM 520 CG GLN A 42 -11.733 3.947 -3.169 1.00 62.01 C ATOM 521 CD GLN A 42 -13.091 4.121 -3.820 1.00 44.52 C ATOM 522 OE1 GLN A 42 -14.040 4.584 -3.188 1.00 14.22 O ATOM 523 NE2 GLN A 42 -13.190 3.751 -5.092 1.00 3.34 N ATOM 0 H GLN A 42 -12.095 7.102 -2.566 1.00 23.32 H new ATOM 0 HA GLN A 42 -10.172 6.022 -2.234 1.00 3.13 H new ATOM 0 HB2 GLN A 42 -10.901 4.822 -4.935 1.00 23.21 H new ATOM 0 HB3 GLN A 42 -9.711 4.153 -3.837 1.00 23.21 H new ATOM 0 HG2 GLN A 42 -11.473 2.889 -3.157 1.00 62.01 H new ATOM 0 HG3 GLN A 42 -11.788 4.274 -2.131 1.00 62.01 H new ATOM 0 HE21 GLN A 42 -12.377 3.372 -5.578 1.00 3.34 H new ATOM 0 HE22 GLN A 42 -14.079 3.846 -5.583 1.00 3.34 H new ATOM 532 N LYS A 43 -9.181 8.097 -3.993 1.00 13.02 N ATOM 533 CA LYS A 43 -8.095 8.844 -4.617 1.00 74.40 C ATOM 534 C LYS A 43 -7.795 10.120 -3.838 1.00 64.00 C ATOM 535 O LYS A 43 -6.634 10.481 -3.644 1.00 41.12 O ATOM 536 CB LYS A 43 -8.453 9.189 -6.064 1.00 43.14 C ATOM 537 CG LYS A 43 -7.285 9.739 -6.864 1.00 43.25 C ATOM 538 CD LYS A 43 -7.594 9.772 -8.352 1.00 1.32 C ATOM 539 CE LYS A 43 -6.462 10.411 -9.142 1.00 52.03 C ATOM 540 NZ LYS A 43 -6.912 10.863 -10.488 1.00 2.20 N ATOM 0 H LYS A 43 -9.906 8.679 -3.574 1.00 13.02 H new ATOM 0 HA LYS A 43 -7.204 8.217 -4.609 1.00 74.40 H new ATOM 0 HB2 LYS A 43 -8.833 8.295 -6.559 1.00 43.14 H new ATOM 0 HB3 LYS A 43 -9.260 9.921 -6.065 1.00 43.14 H new ATOM 0 HG2 LYS A 43 -7.048 10.745 -6.518 1.00 43.25 H new ATOM 0 HG3 LYS A 43 -6.402 9.125 -6.689 1.00 43.25 H new ATOM 0 HD2 LYS A 43 -7.763 8.757 -8.712 1.00 1.32 H new ATOM 0 HD3 LYS A 43 -8.516 10.328 -8.521 1.00 1.32 H new ATOM 0 HE2 LYS A 43 -6.066 11.261 -8.587 1.00 52.03 H new ATOM 0 HE3 LYS A 43 -5.647 9.696 -9.253 1.00 52.03 H new ATOM 0 HZ1 LYS A 43 -6.112 11.293 -10.995 1.00 2.20 H new ATOM 0 HZ2 LYS A 43 -7.266 10.048 -11.028 1.00 2.20 H new ATOM 0 HZ3 LYS A 43 -7.672 11.565 -10.382 1.00 2.20 H new ATOM 554 N SER A 44 -8.847 10.798 -3.392 1.00 54.15 N ATOM 555 CA SER A 44 -8.695 12.036 -2.636 1.00 74.43 C ATOM 556 C SER A 44 -9.385 11.931 -1.279 1.00 52.35 C ATOM 557 O SER A 44 -10.565 11.590 -1.196 1.00 34.13 O ATOM 558 CB SER A 44 -9.271 13.214 -3.425 1.00 21.35 C ATOM 559 OG SER A 44 -8.246 13.933 -4.088 1.00 61.43 O ATOM 0 H SER A 44 -9.814 10.511 -3.541 1.00 54.15 H new ATOM 0 HA SER A 44 -7.631 12.205 -2.471 1.00 74.43 H new ATOM 0 HB2 SER A 44 -9.994 12.849 -4.155 1.00 21.35 H new ATOM 0 HB3 SER A 44 -9.809 13.880 -2.750 1.00 21.35 H new ATOM 0 HG SER A 44 -8.640 14.679 -4.586 1.00 61.43 H new ATOM 565 N ILE A 45 -8.640 12.228 -0.220 1.00 34.21 N ATOM 566 CA ILE A 45 -9.180 12.169 1.133 1.00 24.30 C ATOM 567 C ILE A 45 -9.961 13.434 1.469 1.00 3.52 C ATOM 568 O ILE A 45 -9.482 14.547 1.253 1.00 1.31 O ATOM 569 CB ILE A 45 -8.063 11.976 2.176 1.00 31.32 C ATOM 570 CG1 ILE A 45 -7.285 10.689 1.891 1.00 52.45 C ATOM 571 CG2 ILE A 45 -8.649 11.946 3.580 1.00 51.12 C ATOM 572 CD1 ILE A 45 -6.162 10.433 2.870 1.00 24.43 C ATOM 0 H ILE A 45 -7.662 12.512 -0.272 1.00 34.21 H new ATOM 0 HA ILE A 45 -9.851 11.311 1.168 1.00 24.30 H new ATOM 0 HB ILE A 45 -7.374 12.818 2.108 1.00 31.32 H new ATOM 0 HG12 ILE A 45 -7.974 9.845 1.913 1.00 52.45 H new ATOM 0 HG13 ILE A 45 -6.873 10.739 0.883 1.00 52.45 H new ATOM 0 HG21 ILE A 45 -7.848 11.809 4.306 1.00 51.12 H new ATOM 0 HG22 ILE A 45 -9.163 12.886 3.780 1.00 51.12 H new ATOM 0 HG23 ILE A 45 -9.357 11.121 3.661 1.00 51.12 H new ATOM 0 HD11 ILE A 45 -5.655 9.505 2.607 1.00 24.43 H new ATOM 0 HD12 ILE A 45 -5.451 11.258 2.832 1.00 24.43 H new ATOM 0 HD13 ILE A 45 -6.569 10.351 3.878 1.00 24.43 H new ATOM 584 N ALA A 46 -11.165 13.256 2.001 1.00 35.01 N ATOM 585 CA ALA A 46 -12.012 14.384 2.371 1.00 22.53 C ATOM 586 C ALA A 46 -12.489 14.261 3.814 1.00 14.03 C ATOM 587 O ALA A 46 -12.538 13.164 4.372 1.00 41.52 O ATOM 588 CB ALA A 46 -13.200 14.484 1.427 1.00 73.24 C ATOM 0 H ALA A 46 -11.577 12.341 2.186 1.00 35.01 H new ATOM 0 HA ALA A 46 -11.419 15.295 2.288 1.00 22.53 H new ATOM 0 HB1 ALA A 46 -13.823 15.330 1.715 1.00 73.24 H new ATOM 0 HB2 ALA A 46 -12.843 14.627 0.407 1.00 73.24 H new ATOM 0 HB3 ALA A 46 -13.786 13.567 1.481 1.00 73.24 H new ATOM 594 N VAL A 47 -12.841 15.394 4.415 1.00 62.33 N ATOM 595 CA VAL A 47 -13.315 15.413 5.793 1.00 11.03 C ATOM 596 C VAL A 47 -14.754 14.918 5.886 1.00 21.54 C ATOM 597 O VAL A 47 -15.595 15.259 5.055 1.00 71.44 O ATOM 598 CB VAL A 47 -13.231 16.828 6.396 1.00 20.10 C ATOM 599 CG1 VAL A 47 -14.109 17.794 5.615 1.00 4.22 C ATOM 600 CG2 VAL A 47 -13.625 16.805 7.865 1.00 21.02 C ATOM 0 H VAL A 47 -12.807 16.310 3.968 1.00 62.33 H new ATOM 0 HA VAL A 47 -12.666 14.745 6.360 1.00 11.03 H new ATOM 0 HB VAL A 47 -12.200 17.174 6.326 1.00 20.10 H new ATOM 0 HG11 VAL A 47 -14.037 18.788 6.055 1.00 4.22 H new ATOM 0 HG12 VAL A 47 -13.776 17.831 4.578 1.00 4.22 H new ATOM 0 HG13 VAL A 47 -15.144 17.455 5.651 1.00 4.22 H new ATOM 0 HG21 VAL A 47 -13.560 17.813 8.275 1.00 21.02 H new ATOM 0 HG22 VAL A 47 -14.647 16.439 7.962 1.00 21.02 H new ATOM 0 HG23 VAL A 47 -12.951 16.146 8.412 1.00 21.02 H new ATOM 610 N LYS A 48 -15.031 14.111 6.905 1.00 70.40 N ATOM 611 CA LYS A 48 -16.369 13.568 7.110 1.00 41.12 C ATOM 612 C LYS A 48 -17.057 14.248 8.289 1.00 22.35 C ATOM 613 O LYS A 48 -18.219 14.645 8.200 1.00 40.14 O ATOM 614 CB LYS A 48 -16.298 12.058 7.348 1.00 53.01 C ATOM 615 CG LYS A 48 -17.352 11.272 6.586 1.00 2.44 C ATOM 616 CD LYS A 48 -18.702 11.331 7.281 1.00 2.13 C ATOM 617 CE LYS A 48 -19.839 11.461 6.280 1.00 71.23 C ATOM 618 NZ LYS A 48 -20.445 10.140 5.954 1.00 11.05 N ATOM 0 H LYS A 48 -14.346 13.818 7.602 1.00 70.40 H new ATOM 0 HA LYS A 48 -16.954 13.760 6.211 1.00 41.12 H new ATOM 0 HB2 LYS A 48 -15.310 11.699 7.060 1.00 53.01 H new ATOM 0 HB3 LYS A 48 -16.410 11.861 8.414 1.00 53.01 H new ATOM 0 HG2 LYS A 48 -17.444 11.670 5.575 1.00 2.44 H new ATOM 0 HG3 LYS A 48 -17.035 10.233 6.492 1.00 2.44 H new ATOM 0 HD2 LYS A 48 -18.844 10.431 7.879 1.00 2.13 H new ATOM 0 HD3 LYS A 48 -18.722 12.177 7.968 1.00 2.13 H new ATOM 0 HE2 LYS A 48 -20.605 12.122 6.685 1.00 71.23 H new ATOM 0 HE3 LYS A 48 -19.467 11.925 5.367 1.00 71.23 H new ATOM 0 HZ1 LYS A 48 -21.216 10.271 5.269 1.00 11.05 H new ATOM 0 HZ2 LYS A 48 -19.720 9.517 5.544 1.00 11.05 H new ATOM 0 HZ3 LYS A 48 -20.823 9.708 6.821 1.00 11.05 H new ATOM 632 N THR A 49 -16.331 14.380 9.396 1.00 74.02 N ATOM 633 CA THR A 49 -16.872 15.012 10.593 1.00 64.21 C ATOM 634 C THR A 49 -15.756 15.450 11.534 1.00 2.34 C ATOM 635 O THR A 49 -15.068 14.618 12.126 1.00 3.13 O ATOM 636 CB THR A 49 -17.822 14.064 11.348 1.00 33.12 C ATOM 637 OG1 THR A 49 -18.945 13.736 10.523 1.00 54.45 O ATOM 638 CG2 THR A 49 -18.306 14.701 12.642 1.00 33.11 C ATOM 0 H THR A 49 -15.368 14.058 9.488 1.00 74.02 H new ATOM 0 HA THR A 49 -17.431 15.888 10.264 1.00 64.21 H new ATOM 0 HB THR A 49 -17.273 13.154 11.592 1.00 33.12 H new ATOM 0 HG1 THR A 49 -18.944 14.307 9.727 1.00 54.45 H new ATOM 0 HG21 THR A 49 -18.976 14.013 13.158 1.00 33.11 H new ATOM 0 HG22 THR A 49 -17.451 14.923 13.281 1.00 33.11 H new ATOM 0 HG23 THR A 49 -18.839 15.625 12.416 1.00 33.11 H new ATOM 646 N ILE A 50 -15.582 16.761 11.669 1.00 73.31 N ATOM 647 CA ILE A 50 -14.551 17.309 12.541 1.00 64.34 C ATOM 648 C ILE A 50 -15.126 17.691 13.900 1.00 24.33 C ATOM 649 O ILE A 50 -16.252 18.176 13.996 1.00 70.14 O ATOM 650 CB ILE A 50 -13.882 18.546 11.913 1.00 61.13 C ATOM 651 CG1 ILE A 50 -12.666 18.970 12.739 1.00 61.11 C ATOM 652 CG2 ILE A 50 -14.880 19.689 11.803 1.00 3.15 C ATOM 653 CD1 ILE A 50 -11.735 19.909 12.005 1.00 4.33 C ATOM 0 H ILE A 50 -16.142 17.463 11.185 1.00 73.31 H new ATOM 0 HA ILE A 50 -13.802 16.528 12.673 1.00 64.34 H new ATOM 0 HB ILE A 50 -13.543 18.288 10.910 1.00 61.13 H new ATOM 0 HG12 ILE A 50 -13.009 19.453 13.654 1.00 61.11 H new ATOM 0 HG13 ILE A 50 -12.111 18.080 13.037 1.00 61.11 H new ATOM 0 HG21 ILE A 50 -14.392 20.556 11.357 1.00 3.15 H new ATOM 0 HG22 ILE A 50 -15.717 19.382 11.177 1.00 3.15 H new ATOM 0 HG23 ILE A 50 -15.246 19.949 12.796 1.00 3.15 H new ATOM 0 HD11 ILE A 50 -10.896 20.168 12.651 1.00 4.33 H new ATOM 0 HD12 ILE A 50 -11.363 19.422 11.104 1.00 4.33 H new ATOM 0 HD13 ILE A 50 -12.275 20.816 11.731 1.00 4.33 H new ATOM 665 N GLY A 51 -14.342 17.469 14.952 1.00 40.44 N ATOM 666 CA GLY A 51 -14.789 17.798 16.292 1.00 35.35 C ATOM 667 C GLY A 51 -14.200 19.099 16.798 1.00 5.22 C ATOM 668 O GLY A 51 -13.443 19.762 16.089 1.00 73.32 O ATOM 0 H GLY A 51 -13.406 17.067 14.899 1.00 40.44 H new ATOM 0 HA2 GLY A 51 -15.877 17.868 16.302 1.00 35.35 H new ATOM 0 HA3 GLY A 51 -14.515 16.991 16.971 1.00 35.35 H new ATOM 672 N GLU A 52 -14.547 19.467 18.028 1.00 73.25 N ATOM 673 CA GLU A 52 -14.048 20.699 18.625 1.00 12.55 C ATOM 674 C GLU A 52 -14.412 20.772 20.106 1.00 44.12 C ATOM 675 O GLU A 52 -14.931 21.783 20.579 1.00 31.24 O ATOM 676 CB GLU A 52 -14.615 21.915 17.890 1.00 51.43 C ATOM 677 CG GLU A 52 -16.129 21.899 17.764 1.00 52.41 C ATOM 678 CD GLU A 52 -16.767 23.192 18.235 1.00 74.14 C ATOM 679 OE1 GLU A 52 -16.721 24.185 17.479 1.00 54.13 O ATOM 680 OE2 GLU A 52 -17.312 23.211 19.358 1.00 72.40 O ATOM 0 H GLU A 52 -15.171 18.929 18.629 1.00 73.25 H new ATOM 0 HA GLU A 52 -12.962 20.702 18.534 1.00 12.55 H new ATOM 0 HB2 GLU A 52 -14.312 22.820 18.416 1.00 51.43 H new ATOM 0 HB3 GLU A 52 -14.176 21.964 16.893 1.00 51.43 H new ATOM 0 HG2 GLU A 52 -16.401 21.722 16.724 1.00 52.41 H new ATOM 0 HG3 GLU A 52 -16.529 21.068 18.345 1.00 52.41 H new ATOM 687 N ARG A 53 -14.135 19.693 20.831 1.00 71.05 N ATOM 688 CA ARG A 53 -14.434 19.633 22.256 1.00 31.12 C ATOM 689 C ARG A 53 -15.927 19.824 22.507 1.00 11.00 C ATOM 690 O ARG A 53 -16.342 20.174 23.611 1.00 24.12 O ATOM 691 CB ARG A 53 -13.639 20.699 23.011 1.00 4.32 C ATOM 692 CG ARG A 53 -12.504 20.133 23.849 1.00 0.23 C ATOM 693 CD ARG A 53 -11.800 21.223 24.643 1.00 34.11 C ATOM 694 NE ARG A 53 -11.535 20.813 26.019 1.00 32.24 N ATOM 695 CZ ARG A 53 -10.713 21.464 26.835 1.00 55.20 C ATOM 696 NH1 ARG A 53 -10.081 22.551 26.415 1.00 63.13 N ATOM 697 NH2 ARG A 53 -10.524 21.029 28.074 1.00 2.11 N ATOM 0 H ARG A 53 -13.704 18.849 20.455 1.00 71.05 H new ATOM 0 HA ARG A 53 -14.145 18.647 22.621 1.00 31.12 H new ATOM 0 HB2 ARG A 53 -13.230 21.411 22.294 1.00 4.32 H new ATOM 0 HB3 ARG A 53 -14.317 21.254 23.660 1.00 4.32 H new ATOM 0 HG2 ARG A 53 -12.896 19.379 24.532 1.00 0.23 H new ATOM 0 HG3 ARG A 53 -11.786 19.633 23.200 1.00 0.23 H new ATOM 0 HD2 ARG A 53 -10.860 21.479 24.153 1.00 34.11 H new ATOM 0 HD3 ARG A 53 -12.414 22.124 24.645 1.00 34.11 H new ATOM 0 HE ARG A 53 -12.007 19.981 26.373 1.00 32.24 H new ATOM 0 HH11 ARG A 53 -10.225 22.889 25.464 1.00 63.13 H new ATOM 0 HH12 ARG A 53 -9.450 23.049 27.043 1.00 63.13 H new ATOM 0 HH21 ARG A 53 -11.010 20.194 28.401 1.00 2.11 H new ATOM 0 HH22 ARG A 53 -9.893 21.530 28.700 1.00 2.11 H new ATOM 711 N GLY A 54 -16.730 19.592 21.473 1.00 34.01 N ATOM 712 CA GLY A 54 -18.168 19.744 21.602 1.00 42.43 C ATOM 713 C GLY A 54 -18.932 18.611 20.947 1.00 61.23 C ATOM 714 O GLY A 54 -20.160 18.641 20.876 1.00 71.21 O ATOM 0 H GLY A 54 -16.411 19.302 20.549 1.00 34.01 H new ATOM 0 HA2 GLY A 54 -18.432 19.793 22.658 1.00 42.43 H new ATOM 0 HA3 GLY A 54 -18.472 20.690 21.154 1.00 42.43 H new ATOM 718 N ALA A 55 -18.204 17.609 20.465 1.00 25.11 N ATOM 719 CA ALA A 55 -18.820 16.461 19.813 1.00 75.40 C ATOM 720 C ALA A 55 -19.028 15.316 20.798 1.00 31.45 C ATOM 721 O ALA A 55 -18.110 14.933 21.522 1.00 0.45 O ATOM 722 CB ALA A 55 -17.970 16.001 18.638 1.00 22.23 C ATOM 0 H ALA A 55 -17.186 17.570 20.514 1.00 25.11 H new ATOM 0 HA ALA A 55 -19.798 16.768 19.441 1.00 75.40 H new ATOM 0 HB1 ALA A 55 -18.443 15.143 18.161 1.00 22.23 H new ATOM 0 HB2 ALA A 55 -17.878 16.812 17.916 1.00 22.23 H new ATOM 0 HB3 ALA A 55 -16.980 15.718 18.994 1.00 22.23 H new ATOM 728 N ASN A 56 -20.241 14.773 20.821 1.00 71.12 N ATOM 729 CA ASN A 56 -20.569 13.672 21.719 1.00 34.21 C ATOM 730 C ASN A 56 -20.194 12.331 21.096 1.00 60.23 C ATOM 731 O ASN A 56 -19.766 12.268 19.943 1.00 23.11 O ATOM 732 CB ASN A 56 -22.061 13.690 22.058 1.00 74.34 C ATOM 733 CG ASN A 56 -22.315 13.807 23.548 1.00 23.12 C ATOM 734 OD1 ASN A 56 -22.222 14.893 24.121 1.00 34.43 O ATOM 735 ND2 ASN A 56 -22.636 12.686 24.184 1.00 63.25 N ATOM 0 H ASN A 56 -21.013 15.078 20.228 1.00 71.12 H new ATOM 0 HA ASN A 56 -19.993 13.800 22.636 1.00 34.21 H new ATOM 0 HB2 ASN A 56 -22.537 14.525 21.545 1.00 74.34 H new ATOM 0 HB3 ASN A 56 -22.527 12.778 21.684 1.00 74.34 H new ATOM 0 HD21 ASN A 56 -22.817 12.703 25.188 1.00 63.25 H new ATOM 0 HD22 ASN A 56 -22.702 11.808 23.669 1.00 63.25 H new ATOM 742 N PHE A 57 -20.358 11.260 21.865 1.00 12.15 N ATOM 743 CA PHE A 57 -20.037 9.920 21.390 1.00 65.35 C ATOM 744 C PHE A 57 -21.023 9.473 20.314 1.00 4.30 C ATOM 745 O PHE A 57 -20.641 8.836 19.333 1.00 64.53 O ATOM 746 CB PHE A 57 -20.049 8.926 22.553 1.00 63.12 C ATOM 747 CG PHE A 57 -19.247 9.381 23.739 1.00 41.15 C ATOM 748 CD1 PHE A 57 -17.867 9.477 23.663 1.00 63.33 C ATOM 749 CD2 PHE A 57 -19.873 9.714 24.929 1.00 74.23 C ATOM 750 CE1 PHE A 57 -17.127 9.894 24.753 1.00 44.54 C ATOM 751 CE2 PHE A 57 -19.139 10.133 26.022 1.00 65.31 C ATOM 752 CZ PHE A 57 -17.763 10.224 25.933 1.00 13.12 C ATOM 0 H PHE A 57 -20.712 11.294 22.821 1.00 12.15 H new ATOM 0 HA PHE A 57 -19.038 9.946 20.954 1.00 65.35 H new ATOM 0 HB2 PHE A 57 -21.080 8.756 22.865 1.00 63.12 H new ATOM 0 HB3 PHE A 57 -19.659 7.969 22.206 1.00 63.12 H new ATOM 0 HD1 PHE A 57 -17.364 9.223 22.742 1.00 63.33 H new ATOM 0 HD2 PHE A 57 -20.948 9.645 25.003 1.00 74.23 H new ATOM 0 HE1 PHE A 57 -16.051 9.962 24.682 1.00 44.54 H new ATOM 0 HE2 PHE A 57 -19.640 10.389 26.944 1.00 65.31 H new ATOM 0 HZ PHE A 57 -17.186 10.553 26.785 1.00 13.12 H new ATOM 762 N ASP A 58 -22.292 9.812 20.507 1.00 54.52 N ATOM 763 CA ASP A 58 -23.334 9.448 19.554 1.00 34.30 C ATOM 764 C ASP A 58 -22.992 9.950 18.155 1.00 3.30 C ATOM 765 O ASP A 58 -23.098 9.211 17.177 1.00 25.21 O ATOM 766 CB ASP A 58 -24.683 10.017 19.998 1.00 61.23 C ATOM 767 CG ASP A 58 -25.587 8.960 20.601 1.00 72.23 C ATOM 768 OD1 ASP A 58 -25.261 8.454 21.695 1.00 32.31 O ATOM 769 OD2 ASP A 58 -26.621 8.639 19.979 1.00 53.42 O ATOM 0 H ASP A 58 -22.625 10.338 21.315 1.00 54.52 H new ATOM 0 HA ASP A 58 -23.399 8.360 19.524 1.00 34.30 H new ATOM 0 HB2 ASP A 58 -24.517 10.809 20.728 1.00 61.23 H new ATOM 0 HB3 ASP A 58 -25.182 10.472 19.142 1.00 61.23 H new ATOM 774 N GLN A 59 -22.582 11.212 18.069 1.00 70.32 N ATOM 775 CA GLN A 59 -22.226 11.813 16.789 1.00 22.11 C ATOM 776 C GLN A 59 -21.022 11.108 16.173 1.00 70.13 C ATOM 777 O GLN A 59 -20.971 10.888 14.962 1.00 0.14 O ATOM 778 CB GLN A 59 -21.924 13.302 16.968 1.00 64.24 C ATOM 779 CG GLN A 59 -23.082 14.092 17.554 1.00 35.31 C ATOM 780 CD GLN A 59 -23.967 14.709 16.488 1.00 21.54 C ATOM 781 OE1 GLN A 59 -24.155 14.137 15.414 1.00 30.22 O ATOM 782 NE2 GLN A 59 -24.516 15.882 16.781 1.00 62.25 N ATOM 0 H GLN A 59 -22.488 11.837 18.870 1.00 70.32 H new ATOM 0 HA GLN A 59 -23.074 11.700 16.114 1.00 22.11 H new ATOM 0 HB2 GLN A 59 -21.055 13.412 17.617 1.00 64.24 H new ATOM 0 HB3 GLN A 59 -21.657 13.729 16.001 1.00 64.24 H new ATOM 0 HG2 GLN A 59 -23.682 13.436 18.184 1.00 35.31 H new ATOM 0 HG3 GLN A 59 -22.690 14.880 18.197 1.00 35.31 H new ATOM 0 HE21 GLN A 59 -24.332 16.320 17.684 1.00 62.25 H new ATOM 0 HE22 GLN A 59 -25.121 16.345 16.103 1.00 62.25 H new ATOM 791 N PHE A 60 -20.054 10.756 17.013 1.00 15.10 N ATOM 792 CA PHE A 60 -18.850 10.077 16.550 1.00 22.15 C ATOM 793 C PHE A 60 -19.197 8.753 15.876 1.00 23.23 C ATOM 794 O PHE A 60 -18.754 8.477 14.761 1.00 44.31 O ATOM 795 CB PHE A 60 -17.896 9.832 17.721 1.00 23.53 C ATOM 796 CG PHE A 60 -16.747 8.926 17.379 1.00 40.51 C ATOM 797 CD1 PHE A 60 -16.068 9.070 16.180 1.00 52.14 C ATOM 798 CD2 PHE A 60 -16.346 7.932 18.256 1.00 32.32 C ATOM 799 CE1 PHE A 60 -15.010 8.239 15.861 1.00 14.25 C ATOM 800 CE2 PHE A 60 -15.289 7.098 17.944 1.00 41.22 C ATOM 801 CZ PHE A 60 -14.621 7.251 16.745 1.00 50.35 C ATOM 0 H PHE A 60 -20.080 10.930 18.018 1.00 15.10 H new ATOM 0 HA PHE A 60 -18.359 10.719 15.818 1.00 22.15 H new ATOM 0 HB2 PHE A 60 -17.504 10.789 18.066 1.00 23.53 H new ATOM 0 HB3 PHE A 60 -18.455 9.399 18.550 1.00 23.53 H new ATOM 0 HD1 PHE A 60 -16.369 9.841 15.486 1.00 52.14 H new ATOM 0 HD2 PHE A 60 -16.865 7.807 19.195 1.00 32.32 H new ATOM 0 HE1 PHE A 60 -14.489 8.362 14.923 1.00 14.25 H new ATOM 0 HE2 PHE A 60 -14.986 6.327 18.637 1.00 41.22 H new ATOM 0 HZ PHE A 60 -13.796 6.599 16.499 1.00 50.35 H new ATOM 811 N ILE A 61 -19.991 7.937 16.561 1.00 11.34 N ATOM 812 CA ILE A 61 -20.398 6.643 16.029 1.00 20.33 C ATOM 813 C ILE A 61 -21.220 6.806 14.756 1.00 75.24 C ATOM 814 O ILE A 61 -21.039 6.066 13.789 1.00 22.14 O ATOM 815 CB ILE A 61 -21.219 5.844 17.059 1.00 72.14 C ATOM 816 CG1 ILE A 61 -20.410 5.639 18.341 1.00 60.12 C ATOM 817 CG2 ILE A 61 -21.643 4.505 16.474 1.00 53.04 C ATOM 818 CD1 ILE A 61 -21.153 4.866 19.407 1.00 33.53 C ATOM 0 H ILE A 61 -20.365 8.149 17.486 1.00 11.34 H new ATOM 0 HA ILE A 61 -19.484 6.094 15.800 1.00 20.33 H new ATOM 0 HB ILE A 61 -22.116 6.412 17.305 1.00 72.14 H new ATOM 0 HG12 ILE A 61 -19.487 5.112 18.098 1.00 60.12 H new ATOM 0 HG13 ILE A 61 -20.126 6.612 18.741 1.00 60.12 H new ATOM 0 HG21 ILE A 61 -22.222 3.952 17.213 1.00 53.04 H new ATOM 0 HG22 ILE A 61 -22.253 4.673 15.586 1.00 53.04 H new ATOM 0 HG23 ILE A 61 -20.758 3.930 16.202 1.00 53.04 H new ATOM 0 HD11 ILE A 61 -20.519 4.759 20.287 1.00 33.53 H new ATOM 0 HD12 ILE A 61 -22.062 5.402 19.678 1.00 33.53 H new ATOM 0 HD13 ILE A 61 -21.414 3.879 19.025 1.00 33.53 H new ATOM 830 N GLU A 62 -22.124 7.781 14.762 1.00 71.11 N ATOM 831 CA GLU A 62 -22.974 8.041 13.606 1.00 42.41 C ATOM 832 C GLU A 62 -22.133 8.384 12.379 1.00 73.50 C ATOM 833 O GLU A 62 -22.445 7.966 11.264 1.00 24.32 O ATOM 834 CB GLU A 62 -23.946 9.184 13.907 1.00 43.34 C ATOM 835 CG GLU A 62 -25.177 9.186 13.016 1.00 11.24 C ATOM 836 CD GLU A 62 -25.241 10.401 12.112 1.00 41.34 C ATOM 837 OE1 GLU A 62 -25.522 11.506 12.622 1.00 2.10 O ATOM 838 OE2 GLU A 62 -25.011 10.248 10.894 1.00 24.10 O ATOM 0 H GLU A 62 -22.286 8.403 15.554 1.00 71.11 H new ATOM 0 HA GLU A 62 -23.543 7.136 13.394 1.00 42.41 H new ATOM 0 HB2 GLU A 62 -24.261 9.117 14.948 1.00 43.34 H new ATOM 0 HB3 GLU A 62 -23.424 10.134 13.793 1.00 43.34 H new ATOM 0 HG2 GLU A 62 -25.180 8.283 12.405 1.00 11.24 H new ATOM 0 HG3 GLU A 62 -26.071 9.153 13.638 1.00 11.24 H new ATOM 845 N ALA A 63 -21.067 9.147 12.594 1.00 40.12 N ATOM 846 CA ALA A 63 -20.181 9.545 11.507 1.00 64.40 C ATOM 847 C ALA A 63 -19.390 8.352 10.979 1.00 54.10 C ATOM 848 O ALA A 63 -19.420 8.056 9.784 1.00 1.20 O ATOM 849 CB ALA A 63 -19.235 10.643 11.972 1.00 74.43 C ATOM 0 H ALA A 63 -20.796 9.502 13.511 1.00 40.12 H new ATOM 0 HA ALA A 63 -20.795 9.930 10.693 1.00 64.40 H new ATOM 0 HB1 ALA A 63 -18.579 10.930 11.150 1.00 74.43 H new ATOM 0 HB2 ALA A 63 -19.813 11.509 12.295 1.00 74.43 H new ATOM 0 HB3 ALA A 63 -18.634 10.277 12.805 1.00 74.43 H new ATOM 855 N ILE A 64 -18.685 7.672 11.876 1.00 23.10 N ATOM 856 CA ILE A 64 -17.887 6.512 11.499 1.00 31.54 C ATOM 857 C ILE A 64 -18.777 5.326 11.141 1.00 64.12 C ATOM 858 O ILE A 64 -19.633 4.920 11.926 1.00 74.30 O ATOM 859 CB ILE A 64 -16.929 6.096 12.631 1.00 24.10 C ATOM 860 CG1 ILE A 64 -17.700 5.907 13.939 1.00 40.51 C ATOM 861 CG2 ILE A 64 -15.830 7.134 12.803 1.00 40.34 C ATOM 862 CD1 ILE A 64 -17.598 4.508 14.505 1.00 44.35 C ATOM 0 H ILE A 64 -18.650 7.904 12.869 1.00 23.10 H new ATOM 0 HA ILE A 64 -17.302 6.802 10.626 1.00 31.54 H new ATOM 0 HB ILE A 64 -16.466 5.146 12.364 1.00 24.10 H new ATOM 0 HG12 ILE A 64 -17.326 6.617 14.677 1.00 40.51 H new ATOM 0 HG13 ILE A 64 -18.750 6.146 13.770 1.00 40.51 H new ATOM 0 HG21 ILE A 64 -15.161 6.826 13.607 1.00 40.34 H new ATOM 0 HG22 ILE A 64 -15.265 7.223 11.875 1.00 40.34 H new ATOM 0 HG23 ILE A 64 -16.275 8.098 13.051 1.00 40.34 H new ATOM 0 HD11 ILE A 64 -18.169 4.448 15.432 1.00 44.35 H new ATOM 0 HD12 ILE A 64 -17.999 3.794 13.785 1.00 44.35 H new ATOM 0 HD13 ILE A 64 -16.553 4.272 14.706 1.00 44.35 H new ATOM 874 N ASP A 65 -18.566 4.774 9.951 1.00 41.11 N ATOM 875 CA ASP A 65 -19.347 3.632 9.489 1.00 44.44 C ATOM 876 C ASP A 65 -18.449 2.423 9.245 1.00 10.13 C ATOM 877 O ASP A 65 -17.429 2.520 8.562 1.00 13.42 O ATOM 878 CB ASP A 65 -20.101 3.989 8.207 1.00 35.11 C ATOM 879 CG ASP A 65 -21.249 4.947 8.459 1.00 41.34 C ATOM 880 OD1 ASP A 65 -21.729 5.008 9.610 1.00 52.05 O ATOM 881 OD2 ASP A 65 -21.667 5.636 7.504 1.00 12.23 O ATOM 0 H ASP A 65 -17.861 5.099 9.289 1.00 41.11 H new ATOM 0 HA ASP A 65 -20.067 3.377 10.266 1.00 44.44 H new ATOM 0 HB2 ASP A 65 -19.408 4.436 7.494 1.00 35.11 H new ATOM 0 HB3 ASP A 65 -20.486 3.078 7.749 1.00 35.11 H new ATOM 886 N LYS A 66 -18.834 1.284 9.810 1.00 74.33 N ATOM 887 CA LYS A 66 -18.066 0.054 9.655 1.00 41.31 C ATOM 888 C LYS A 66 -18.120 -0.444 8.214 1.00 13.41 C ATOM 889 O LYS A 66 -19.025 -1.188 7.839 1.00 61.12 O ATOM 890 CB LYS A 66 -18.597 -1.026 10.599 1.00 33.15 C ATOM 891 CG LYS A 66 -17.773 -2.302 10.590 1.00 4.40 C ATOM 892 CD LYS A 66 -18.510 -3.447 11.263 1.00 22.21 C ATOM 893 CE LYS A 66 -19.232 -4.319 10.247 1.00 42.20 C ATOM 894 NZ LYS A 66 -20.633 -4.609 10.661 1.00 44.33 N ATOM 0 H LYS A 66 -19.674 1.187 10.380 1.00 74.33 H new ATOM 0 HA LYS A 66 -17.028 0.270 9.907 1.00 41.31 H new ATOM 0 HB2 LYS A 66 -18.624 -0.628 11.614 1.00 33.15 H new ATOM 0 HB3 LYS A 66 -19.624 -1.265 10.323 1.00 33.15 H new ATOM 0 HG2 LYS A 66 -17.536 -2.575 9.562 1.00 4.40 H new ATOM 0 HG3 LYS A 66 -16.826 -2.128 11.100 1.00 4.40 H new ATOM 0 HD2 LYS A 66 -17.803 -4.054 11.828 1.00 22.21 H new ATOM 0 HD3 LYS A 66 -19.229 -3.048 11.978 1.00 22.21 H new ATOM 0 HE2 LYS A 66 -19.236 -3.820 9.278 1.00 42.20 H new ATOM 0 HE3 LYS A 66 -18.689 -5.256 10.121 1.00 42.20 H new ATOM 0 HZ1 LYS A 66 -21.091 -5.206 9.943 1.00 44.33 H new ATOM 0 HZ2 LYS A 66 -20.629 -5.108 11.574 1.00 44.33 H new ATOM 0 HZ3 LYS A 66 -21.159 -3.717 10.756 1.00 44.33 H new ATOM 908 N ASN A 67 -17.145 -0.028 7.412 1.00 32.40 N ATOM 909 CA ASN A 67 -17.082 -0.434 6.012 1.00 12.54 C ATOM 910 C ASN A 67 -15.870 0.184 5.322 1.00 71.35 C ATOM 911 O ASN A 67 -14.877 -0.496 5.063 1.00 44.23 O ATOM 912 CB ASN A 67 -18.363 -0.023 5.283 1.00 60.01 C ATOM 913 CG ASN A 67 -19.258 -1.208 4.975 1.00 41.12 C ATOM 914 OD1 ASN A 67 -18.818 -2.196 4.387 1.00 22.24 O ATOM 915 ND2 ASN A 67 -20.522 -1.113 5.371 1.00 61.21 N ATOM 0 H ASN A 67 -16.388 0.589 7.707 1.00 32.40 H new ATOM 0 HA ASN A 67 -16.984 -1.519 5.977 1.00 12.54 H new ATOM 0 HB2 ASN A 67 -18.911 0.694 5.894 1.00 60.01 H new ATOM 0 HB3 ASN A 67 -18.102 0.483 4.354 1.00 60.01 H new ATOM 0 HD21 ASN A 67 -21.172 -1.878 5.191 1.00 61.21 H new ATOM 0 HD22 ASN A 67 -20.843 -0.275 5.855 1.00 61.21 H new ATOM 922 N VAL A 68 -15.959 1.477 5.026 1.00 61.43 N ATOM 923 CA VAL A 68 -14.869 2.187 4.367 1.00 74.34 C ATOM 924 C VAL A 68 -13.800 2.605 5.369 1.00 0.13 C ATOM 925 O VAL A 68 -14.064 2.780 6.559 1.00 24.52 O ATOM 926 CB VAL A 68 -15.381 3.437 3.627 1.00 61.15 C ATOM 927 CG1 VAL A 68 -16.245 3.039 2.440 1.00 62.14 C ATOM 928 CG2 VAL A 68 -16.151 4.341 4.578 1.00 62.34 C ATOM 0 H VAL A 68 -16.774 2.054 5.232 1.00 61.43 H new ATOM 0 HA VAL A 68 -14.434 1.498 3.643 1.00 74.34 H new ATOM 0 HB VAL A 68 -14.522 3.992 3.250 1.00 61.15 H new ATOM 0 HG11 VAL A 68 -16.597 3.935 1.930 1.00 62.14 H new ATOM 0 HG12 VAL A 68 -15.657 2.435 1.748 1.00 62.14 H new ATOM 0 HG13 VAL A 68 -17.100 2.461 2.790 1.00 62.14 H new ATOM 0 HG21 VAL A 68 -16.505 5.219 4.038 1.00 62.34 H new ATOM 0 HG22 VAL A 68 -17.003 3.798 4.986 1.00 62.34 H new ATOM 0 HG23 VAL A 68 -15.497 4.655 5.392 1.00 62.34 H new ATOM 938 N PRO A 69 -12.562 2.771 4.880 1.00 54.14 N ATOM 939 CA PRO A 69 -11.427 3.172 5.716 1.00 13.41 C ATOM 940 C PRO A 69 -11.539 4.617 6.191 1.00 51.24 C ATOM 941 O PRO A 69 -11.783 5.525 5.395 1.00 73.24 O ATOM 942 CB PRO A 69 -10.224 3.007 4.784 1.00 12.23 C ATOM 943 CG PRO A 69 -10.786 3.150 3.412 1.00 45.12 C ATOM 944 CD PRO A 69 -12.176 2.580 3.472 1.00 42.44 C ATOM 0 HA PRO A 69 -11.362 2.578 6.627 1.00 13.41 H new ATOM 0 HB2 PRO A 69 -9.464 3.763 4.981 1.00 12.23 H new ATOM 0 HB3 PRO A 69 -9.749 2.035 4.918 1.00 12.23 H new ATOM 0 HG2 PRO A 69 -10.806 4.196 3.106 1.00 45.12 H new ATOM 0 HG3 PRO A 69 -10.176 2.616 2.683 1.00 45.12 H new ATOM 0 HD2 PRO A 69 -12.854 3.101 2.795 1.00 42.44 H new ATOM 0 HD3 PRO A 69 -12.191 1.527 3.190 1.00 42.44 H new ATOM 952 N CYS A 70 -11.359 4.824 7.490 1.00 22.43 N ATOM 953 CA CYS A 70 -11.440 6.159 8.071 1.00 41.32 C ATOM 954 C CYS A 70 -10.374 6.351 9.145 1.00 32.20 C ATOM 955 O CYS A 70 -10.069 5.429 9.903 1.00 51.45 O ATOM 956 CB CYS A 70 -12.829 6.396 8.665 1.00 1.14 C ATOM 957 SG CYS A 70 -13.154 5.460 10.177 1.00 32.54 S ATOM 0 H CYS A 70 -11.156 4.084 8.162 1.00 22.43 H new ATOM 0 HA CYS A 70 -11.264 6.885 7.277 1.00 41.32 H new ATOM 0 HB2 CYS A 70 -12.946 7.459 8.876 1.00 1.14 H new ATOM 0 HB3 CYS A 70 -13.581 6.135 7.920 1.00 1.14 H new ATOM 0 HG CYS A 70 -12.841 4.212 9.990 1.00 32.54 H new ATOM 963 N TYR A 71 -9.810 7.552 9.204 1.00 54.12 N ATOM 964 CA TYR A 71 -8.775 7.864 10.182 1.00 33.44 C ATOM 965 C TYR A 71 -9.232 8.973 11.124 1.00 14.23 C ATOM 966 O TYR A 71 -9.709 10.019 10.684 1.00 31.04 O ATOM 967 CB TYR A 71 -7.484 8.279 9.475 1.00 11.14 C ATOM 968 CG TYR A 71 -6.988 7.262 8.473 1.00 73.32 C ATOM 969 CD1 TYR A 71 -6.155 6.221 8.863 1.00 1.05 C ATOM 970 CD2 TYR A 71 -7.354 7.341 7.135 1.00 73.33 C ATOM 971 CE1 TYR A 71 -5.699 5.290 7.951 1.00 60.24 C ATOM 972 CE2 TYR A 71 -6.904 6.413 6.215 1.00 15.11 C ATOM 973 CZ TYR A 71 -6.077 5.390 6.628 1.00 63.12 C ATOM 974 OH TYR A 71 -5.626 4.463 5.716 1.00 42.54 O ATOM 0 H TYR A 71 -10.052 8.326 8.586 1.00 54.12 H new ATOM 0 HA TYR A 71 -8.586 6.967 10.772 1.00 33.44 H new ATOM 0 HB2 TYR A 71 -7.648 9.228 8.965 1.00 11.14 H new ATOM 0 HB3 TYR A 71 -6.709 8.448 10.222 1.00 11.14 H new ATOM 0 HD1 TYR A 71 -5.859 6.138 9.898 1.00 1.05 H new ATOM 0 HD2 TYR A 71 -8.001 8.141 6.808 1.00 73.33 H new ATOM 0 HE1 TYR A 71 -5.050 4.488 8.271 1.00 60.24 H new ATOM 0 HE2 TYR A 71 -7.198 6.489 5.179 1.00 15.11 H new ATOM 0 HH TYR A 71 -6.291 4.353 5.005 1.00 42.54 H new ATOM 984 N ALA A 72 -9.082 8.737 12.423 1.00 34.35 N ATOM 985 CA ALA A 72 -9.477 9.716 13.429 1.00 65.23 C ATOM 986 C ALA A 72 -8.300 10.087 14.325 1.00 63.22 C ATOM 987 O ALA A 72 -7.692 9.223 14.957 1.00 51.24 O ATOM 988 CB ALA A 72 -10.630 9.180 14.264 1.00 61.21 C ATOM 0 H ALA A 72 -8.690 7.876 12.804 1.00 34.35 H new ATOM 0 HA ALA A 72 -9.806 10.618 12.913 1.00 65.23 H new ATOM 0 HB1 ALA A 72 -10.914 9.922 15.011 1.00 61.21 H new ATOM 0 HB2 ALA A 72 -11.482 8.972 13.617 1.00 61.21 H new ATOM 0 HB3 ALA A 72 -10.321 8.262 14.764 1.00 61.21 H new ATOM 994 N ALA A 73 -7.983 11.377 14.374 1.00 32.41 N ATOM 995 CA ALA A 73 -6.880 11.862 15.194 1.00 62.41 C ATOM 996 C ALA A 73 -7.394 12.585 16.434 1.00 41.53 C ATOM 997 O ALA A 73 -8.336 13.374 16.358 1.00 12.33 O ATOM 998 CB ALA A 73 -5.981 12.780 14.379 1.00 22.31 C ATOM 0 H ALA A 73 -8.475 12.105 13.855 1.00 32.41 H new ATOM 0 HA ALA A 73 -6.298 11.001 15.523 1.00 62.41 H new ATOM 0 HB1 ALA A 73 -5.161 13.135 15.004 1.00 22.31 H new ATOM 0 HB2 ALA A 73 -5.577 12.232 13.528 1.00 22.31 H new ATOM 0 HB3 ALA A 73 -6.559 13.632 14.021 1.00 22.31 H new ATOM 1004 N PHE A 74 -6.770 12.312 17.574 1.00 24.24 N ATOM 1005 CA PHE A 74 -7.165 12.936 18.831 1.00 14.05 C ATOM 1006 C PHE A 74 -5.952 13.500 19.564 1.00 2.25 C ATOM 1007 O PHE A 74 -4.945 12.814 19.741 1.00 72.43 O ATOM 1008 CB PHE A 74 -7.889 11.924 19.723 1.00 65.15 C ATOM 1009 CG PHE A 74 -8.169 12.437 21.106 1.00 34.51 C ATOM 1010 CD1 PHE A 74 -8.703 13.701 21.296 1.00 53.04 C ATOM 1011 CD2 PHE A 74 -7.900 11.654 22.217 1.00 32.32 C ATOM 1012 CE1 PHE A 74 -8.962 14.175 22.568 1.00 41.33 C ATOM 1013 CE2 PHE A 74 -8.157 12.123 23.492 1.00 72.51 C ATOM 1014 CZ PHE A 74 -8.690 13.385 23.667 1.00 23.31 C ATOM 0 H PHE A 74 -5.988 11.662 17.654 1.00 24.24 H new ATOM 0 HA PHE A 74 -7.843 13.758 18.601 1.00 14.05 H new ATOM 0 HB2 PHE A 74 -8.830 11.644 19.251 1.00 65.15 H new ATOM 0 HB3 PHE A 74 -7.286 11.019 19.795 1.00 65.15 H new ATOM 0 HD1 PHE A 74 -8.919 14.323 20.440 1.00 53.04 H new ATOM 0 HD2 PHE A 74 -7.485 10.666 22.086 1.00 32.32 H new ATOM 0 HE1 PHE A 74 -9.377 15.163 22.702 1.00 41.33 H new ATOM 0 HE2 PHE A 74 -7.941 11.503 24.350 1.00 72.51 H new ATOM 0 HZ PHE A 74 -8.894 13.753 24.662 1.00 23.31 H new ATOM 1024 N ASP A 75 -6.055 14.755 19.989 1.00 71.25 N ATOM 1025 CA ASP A 75 -4.967 15.412 20.703 1.00 51.40 C ATOM 1026 C ASP A 75 -5.148 15.278 22.212 1.00 61.33 C ATOM 1027 O ASP A 75 -6.238 15.501 22.739 1.00 22.22 O ATOM 1028 CB ASP A 75 -4.894 16.890 20.316 1.00 42.24 C ATOM 1029 CG ASP A 75 -5.831 17.752 21.139 1.00 73.43 C ATOM 1030 OD1 ASP A 75 -7.037 17.430 21.196 1.00 62.20 O ATOM 1031 OD2 ASP A 75 -5.359 18.747 21.726 1.00 13.13 O ATOM 0 H ASP A 75 -6.881 15.337 19.851 1.00 71.25 H new ATOM 0 HA ASP A 75 -4.034 14.924 20.422 1.00 51.40 H new ATOM 0 HB2 ASP A 75 -3.872 17.246 20.444 1.00 42.24 H new ATOM 0 HB3 ASP A 75 -5.139 16.998 19.260 1.00 42.24 H new ATOM 1036 N PHE A 76 -4.073 14.910 22.901 1.00 43.11 N ATOM 1037 CA PHE A 76 -4.113 14.743 24.349 1.00 51.40 C ATOM 1038 C PHE A 76 -2.842 15.288 24.995 1.00 54.12 C ATOM 1039 O PHE A 76 -1.734 14.999 24.547 1.00 64.42 O ATOM 1040 CB PHE A 76 -4.289 13.267 24.709 1.00 62.41 C ATOM 1041 CG PHE A 76 -4.830 13.047 26.092 1.00 15.15 C ATOM 1042 CD1 PHE A 76 -6.150 13.346 26.389 1.00 34.25 C ATOM 1043 CD2 PHE A 76 -4.019 12.543 27.096 1.00 34.33 C ATOM 1044 CE1 PHE A 76 -6.652 13.145 27.662 1.00 72.44 C ATOM 1045 CE2 PHE A 76 -4.516 12.339 28.370 1.00 43.10 C ATOM 1046 CZ PHE A 76 -5.833 12.642 28.653 1.00 33.44 C ATOM 0 H PHE A 76 -3.163 14.722 22.480 1.00 43.11 H new ATOM 0 HA PHE A 76 -4.964 15.307 24.731 1.00 51.40 H new ATOM 0 HB2 PHE A 76 -4.961 12.803 23.987 1.00 62.41 H new ATOM 0 HB3 PHE A 76 -3.327 12.762 24.619 1.00 62.41 H new ATOM 0 HD1 PHE A 76 -6.794 13.741 25.617 1.00 34.25 H new ATOM 0 HD2 PHE A 76 -2.987 12.307 26.881 1.00 34.33 H new ATOM 0 HE1 PHE A 76 -7.683 13.381 27.880 1.00 72.44 H new ATOM 0 HE2 PHE A 76 -3.874 11.943 29.143 1.00 43.10 H new ATOM 0 HZ PHE A 76 -6.222 12.486 29.648 1.00 33.44 H new ATOM 1056 N GLU A 77 -3.014 16.079 26.050 1.00 60.14 N ATOM 1057 CA GLU A 77 -1.881 16.665 26.756 1.00 12.40 C ATOM 1058 C GLU A 77 -1.373 15.725 27.845 1.00 31.11 C ATOM 1059 O GLU A 77 -2.159 15.082 28.542 1.00 51.33 O ATOM 1060 CB GLU A 77 -2.276 18.010 27.371 1.00 23.30 C ATOM 1061 CG GLU A 77 -3.517 17.939 28.244 1.00 74.21 C ATOM 1062 CD GLU A 77 -4.750 18.486 27.550 1.00 20.25 C ATOM 1063 OE1 GLU A 77 -5.137 17.931 26.501 1.00 65.21 O ATOM 1064 OE2 GLU A 77 -5.328 19.469 28.058 1.00 12.55 O ATOM 0 H GLU A 77 -3.926 16.328 26.434 1.00 60.14 H new ATOM 0 HA GLU A 77 -1.079 16.824 26.035 1.00 12.40 H new ATOM 0 HB2 GLU A 77 -1.444 18.386 27.967 1.00 23.30 H new ATOM 0 HB3 GLU A 77 -2.446 18.730 26.571 1.00 23.30 H new ATOM 0 HG2 GLU A 77 -3.696 16.903 28.531 1.00 74.21 H new ATOM 0 HG3 GLU A 77 -3.343 18.499 29.163 1.00 74.21 H new ATOM 1167 N ARG A 85 3.332 19.234 27.792 1.00 62.30 N ATOM 1168 CA ARG A 85 3.551 18.564 26.515 1.00 14.25 C ATOM 1169 C ARG A 85 2.235 18.049 25.939 1.00 13.54 C ATOM 1170 O ARG A 85 1.317 17.697 26.680 1.00 13.33 O ATOM 1171 CB ARG A 85 4.534 17.404 26.685 1.00 14.43 C ATOM 1172 CG ARG A 85 4.709 16.566 25.430 1.00 44.24 C ATOM 1173 CD ARG A 85 5.346 17.371 24.307 1.00 23.23 C ATOM 1174 NE ARG A 85 6.789 17.512 24.486 1.00 51.23 N ATOM 1175 CZ ARG A 85 7.590 18.065 23.582 1.00 4.22 C ATOM 1176 NH1 ARG A 85 7.092 18.527 22.443 1.00 24.34 N ATOM 1177 NH2 ARG A 85 8.893 18.158 23.817 1.00 30.14 N ATOM 0 HA ARG A 85 3.973 19.290 25.820 1.00 14.25 H new ATOM 0 HB2 ARG A 85 5.504 17.802 26.984 1.00 14.43 H new ATOM 0 HB3 ARG A 85 4.189 16.762 27.495 1.00 14.43 H new ATOM 0 HG2 ARG A 85 5.329 15.698 25.654 1.00 44.24 H new ATOM 0 HG3 ARG A 85 3.739 16.189 25.104 1.00 44.24 H new ATOM 0 HD2 ARG A 85 5.145 16.884 23.353 1.00 23.23 H new ATOM 0 HD3 ARG A 85 4.888 18.359 24.264 1.00 23.23 H new ATOM 0 HE ARG A 85 7.204 17.167 25.352 1.00 51.23 H new ATOM 0 HH11 ARG A 85 6.091 18.458 22.259 1.00 24.34 H new ATOM 0 HH12 ARG A 85 7.710 18.951 21.751 1.00 24.34 H new ATOM 0 HH21 ARG A 85 9.280 17.805 24.692 1.00 30.14 H new ATOM 0 HH22 ARG A 85 9.507 18.583 23.122 1.00 30.14 H new ATOM 1191 N ASP A 86 2.151 18.009 24.614 1.00 14.42 N ATOM 1192 CA ASP A 86 0.948 17.537 23.938 1.00 13.43 C ATOM 1193 C ASP A 86 1.302 16.581 22.804 1.00 54.23 C ATOM 1194 O ASP A 86 2.216 16.840 22.021 1.00 40.40 O ATOM 1195 CB ASP A 86 0.146 18.720 23.394 1.00 53.35 C ATOM 1196 CG ASP A 86 1.017 19.723 22.662 1.00 73.51 C ATOM 1197 OD1 ASP A 86 1.606 19.351 21.626 1.00 60.22 O ATOM 1198 OD2 ASP A 86 1.110 20.878 23.126 1.00 52.41 O ATOM 0 H ASP A 86 2.902 18.298 23.987 1.00 14.42 H new ATOM 0 HA ASP A 86 0.339 16.999 24.665 1.00 13.43 H new ATOM 0 HB2 ASP A 86 -0.626 18.352 22.718 1.00 53.35 H new ATOM 0 HB3 ASP A 86 -0.364 19.219 24.218 1.00 53.35 H new ATOM 1203 N LYS A 87 0.572 15.474 22.721 1.00 62.31 N ATOM 1204 CA LYS A 87 0.808 14.478 21.683 1.00 73.45 C ATOM 1205 C LYS A 87 -0.502 14.061 21.021 1.00 51.11 C ATOM 1206 O LYS A 87 -1.531 13.932 21.685 1.00 33.22 O ATOM 1207 CB LYS A 87 1.506 13.250 22.273 1.00 11.51 C ATOM 1208 CG LYS A 87 1.798 12.166 21.251 1.00 74.23 C ATOM 1209 CD LYS A 87 3.120 11.473 21.535 1.00 73.23 C ATOM 1210 CE LYS A 87 4.090 11.626 20.374 1.00 61.05 C ATOM 1211 NZ LYS A 87 5.506 11.645 20.833 1.00 24.21 N ATOM 0 H LYS A 87 -0.188 15.244 23.361 1.00 62.31 H new ATOM 0 HA LYS A 87 1.452 14.926 20.926 1.00 73.45 H new ATOM 0 HB2 LYS A 87 2.442 13.562 22.736 1.00 11.51 H new ATOM 0 HB3 LYS A 87 0.882 12.833 23.064 1.00 11.51 H new ATOM 0 HG2 LYS A 87 0.992 11.432 21.258 1.00 74.23 H new ATOM 0 HG3 LYS A 87 1.822 12.603 20.253 1.00 74.23 H new ATOM 0 HD2 LYS A 87 3.564 11.890 22.439 1.00 73.23 H new ATOM 0 HD3 LYS A 87 2.943 10.414 21.726 1.00 73.23 H new ATOM 0 HE2 LYS A 87 3.947 10.805 19.671 1.00 61.05 H new ATOM 0 HE3 LYS A 87 3.870 12.548 19.836 1.00 61.05 H new ATOM 0 HZ1 LYS A 87 6.136 11.751 20.012 1.00 24.21 H new ATOM 0 HZ2 LYS A 87 5.649 12.443 21.484 1.00 24.21 H new ATOM 0 HZ3 LYS A 87 5.724 10.754 21.324 1.00 24.21 H new ATOM 1225 N LEU A 88 -0.457 13.851 19.710 1.00 23.11 N ATOM 1226 CA LEU A 88 -1.640 13.447 18.959 1.00 40.05 C ATOM 1227 C LEU A 88 -1.533 11.992 18.515 1.00 22.50 C ATOM 1228 O LEU A 88 -0.475 11.544 18.070 1.00 53.52 O ATOM 1229 CB LEU A 88 -1.827 14.351 17.739 1.00 40.21 C ATOM 1230 CG LEU A 88 -3.223 14.947 17.553 1.00 60.45 C ATOM 1231 CD1 LEU A 88 -3.175 16.130 16.599 1.00 15.52 C ATOM 1232 CD2 LEU A 88 -4.191 13.888 17.044 1.00 44.14 C ATOM 0 H LEU A 88 0.386 13.954 19.145 1.00 23.11 H new ATOM 0 HA LEU A 88 -2.506 13.545 19.613 1.00 40.05 H new ATOM 0 HB2 LEU A 88 -1.110 15.169 17.805 1.00 40.21 H new ATOM 0 HB3 LEU A 88 -1.576 13.779 16.846 1.00 40.21 H new ATOM 0 HG LEU A 88 -3.578 15.301 18.521 1.00 60.45 H new ATOM 0 HD11 LEU A 88 -4.177 16.541 16.479 1.00 15.52 H new ATOM 0 HD12 LEU A 88 -2.514 16.897 17.003 1.00 15.52 H new ATOM 0 HD13 LEU A 88 -2.799 15.801 15.630 1.00 15.52 H new ATOM 0 HD21 LEU A 88 -5.180 14.329 16.917 1.00 44.14 H new ATOM 0 HD22 LEU A 88 -3.840 13.504 16.086 1.00 44.14 H new ATOM 0 HD23 LEU A 88 -4.248 13.071 17.763 1.00 44.14 H new ATOM 1244 N ILE A 89 -2.634 11.258 18.638 1.00 51.41 N ATOM 1245 CA ILE A 89 -2.664 9.855 18.246 1.00 34.35 C ATOM 1246 C ILE A 89 -3.612 9.632 17.073 1.00 61.53 C ATOM 1247 O ILE A 89 -4.613 10.334 16.926 1.00 2.32 O ATOM 1248 CB ILE A 89 -3.095 8.953 19.418 1.00 32.32 C ATOM 1249 CG1 ILE A 89 -2.329 9.328 20.688 1.00 3.20 C ATOM 1250 CG2 ILE A 89 -2.870 7.489 19.070 1.00 31.13 C ATOM 1251 CD1 ILE A 89 -3.042 10.351 21.544 1.00 3.30 C ATOM 0 H ILE A 89 -3.517 11.612 19.006 1.00 51.41 H new ATOM 0 HA ILE A 89 -1.650 9.589 17.946 1.00 34.35 H new ATOM 0 HB ILE A 89 -4.159 9.104 19.601 1.00 32.32 H new ATOM 0 HG12 ILE A 89 -2.158 8.428 21.279 1.00 3.20 H new ATOM 0 HG13 ILE A 89 -1.350 9.718 20.410 1.00 3.20 H new ATOM 0 HG21 ILE A 89 -3.179 6.864 19.908 1.00 31.13 H new ATOM 0 HG22 ILE A 89 -3.457 7.230 18.188 1.00 31.13 H new ATOM 0 HG23 ILE A 89 -1.813 7.322 18.864 1.00 31.13 H new ATOM 0 HD11 ILE A 89 -2.441 10.569 22.427 1.00 3.30 H new ATOM 0 HD12 ILE A 89 -3.189 11.266 20.970 1.00 3.30 H new ATOM 0 HD13 ILE A 89 -4.010 9.956 21.852 1.00 3.30 H new ATOM 1263 N LEU A 90 -3.291 8.648 16.239 1.00 0.04 N ATOM 1264 CA LEU A 90 -4.115 8.330 15.078 1.00 23.32 C ATOM 1265 C LEU A 90 -4.685 6.919 15.185 1.00 11.24 C ATOM 1266 O LEU A 90 -3.940 5.941 15.253 1.00 42.34 O ATOM 1267 CB LEU A 90 -3.294 8.464 13.794 1.00 14.21 C ATOM 1268 CG LEU A 90 -4.094 8.580 12.496 1.00 50.31 C ATOM 1269 CD1 LEU A 90 -4.294 10.041 12.121 1.00 61.52 C ATOM 1270 CD2 LEU A 90 -3.397 7.829 11.371 1.00 44.40 C ATOM 0 H LEU A 90 -2.466 8.057 16.345 1.00 0.04 H new ATOM 0 HA LEU A 90 -4.945 9.036 15.047 1.00 23.32 H new ATOM 0 HB2 LEU A 90 -2.656 9.343 13.884 1.00 14.21 H new ATOM 0 HB3 LEU A 90 -2.635 7.599 13.716 1.00 14.21 H new ATOM 0 HG LEU A 90 -5.074 8.129 12.654 1.00 50.31 H new ATOM 0 HD11 LEU A 90 -4.865 10.104 11.195 1.00 61.52 H new ATOM 0 HD12 LEU A 90 -4.837 10.550 12.917 1.00 61.52 H new ATOM 0 HD13 LEU A 90 -3.323 10.517 11.982 1.00 61.52 H new ATOM 0 HD21 LEU A 90 -3.980 7.922 10.455 1.00 44.40 H new ATOM 0 HD22 LEU A 90 -2.404 8.250 11.213 1.00 44.40 H new ATOM 0 HD23 LEU A 90 -3.307 6.776 11.638 1.00 44.40 H new ATOM 1282 N ILE A 91 -6.010 6.822 15.199 1.00 72.13 N ATOM 1283 CA ILE A 91 -6.680 5.531 15.294 1.00 21.21 C ATOM 1284 C ILE A 91 -7.518 5.253 14.051 1.00 64.25 C ATOM 1285 O ILE A 91 -8.300 6.098 13.615 1.00 61.51 O ATOM 1286 CB ILE A 91 -7.587 5.457 16.537 1.00 45.31 C ATOM 1287 CG1 ILE A 91 -6.765 5.678 17.808 1.00 4.24 C ATOM 1288 CG2 ILE A 91 -8.305 4.117 16.590 1.00 3.11 C ATOM 1289 CD1 ILE A 91 -6.724 7.122 18.258 1.00 20.24 C ATOM 0 H ILE A 91 -6.641 7.622 15.146 1.00 72.13 H new ATOM 0 HA ILE A 91 -5.898 4.776 15.379 1.00 21.21 H new ATOM 0 HB ILE A 91 -8.336 6.246 16.470 1.00 45.31 H new ATOM 0 HG12 ILE A 91 -7.180 5.068 18.610 1.00 4.24 H new ATOM 0 HG13 ILE A 91 -5.746 5.330 17.637 1.00 4.24 H new ATOM 0 HG21 ILE A 91 -8.942 4.080 17.474 1.00 3.11 H new ATOM 0 HG22 ILE A 91 -8.917 3.997 15.696 1.00 3.11 H new ATOM 0 HG23 ILE A 91 -7.571 3.313 16.638 1.00 3.11 H new ATOM 0 HD11 ILE A 91 -6.124 7.204 19.164 1.00 20.24 H new ATOM 0 HD12 ILE A 91 -6.281 7.735 17.473 1.00 20.24 H new ATOM 0 HD13 ILE A 91 -7.737 7.469 18.461 1.00 20.24 H new ATOM 1301 N SER A 92 -7.349 4.062 13.484 1.00 12.13 N ATOM 1302 CA SER A 92 -8.088 3.673 12.289 1.00 34.41 C ATOM 1303 C SER A 92 -9.256 2.759 12.647 1.00 75.44 C ATOM 1304 O SER A 92 -9.082 1.749 13.328 1.00 31.43 O ATOM 1305 CB SER A 92 -7.161 2.969 11.297 1.00 43.13 C ATOM 1306 OG SER A 92 -5.819 2.985 11.753 1.00 33.23 O ATOM 0 H SER A 92 -6.707 3.350 13.833 1.00 12.13 H new ATOM 0 HA SER A 92 -8.484 4.577 11.826 1.00 34.41 H new ATOM 0 HB2 SER A 92 -7.488 1.939 11.157 1.00 43.13 H new ATOM 0 HB3 SER A 92 -7.224 3.459 10.325 1.00 43.13 H new ATOM 0 HG SER A 92 -5.288 3.583 11.186 1.00 33.23 H new ATOM 1312 N TRP A 93 -10.446 3.121 12.181 1.00 34.04 N ATOM 1313 CA TRP A 93 -11.644 2.334 12.452 1.00 54.14 C ATOM 1314 C TRP A 93 -12.176 1.695 11.173 1.00 24.14 C ATOM 1315 O TRP A 93 -12.613 2.389 10.257 1.00 15.42 O ATOM 1316 CB TRP A 93 -12.725 3.213 13.084 1.00 23.23 C ATOM 1317 CG TRP A 93 -13.642 2.460 14.000 1.00 61.01 C ATOM 1318 CD1 TRP A 93 -13.343 1.972 15.240 1.00 2.41 C ATOM 1319 CD2 TRP A 93 -15.006 2.107 13.746 1.00 12.53 C ATOM 1320 NE1 TRP A 93 -14.439 1.338 15.773 1.00 72.03 N ATOM 1321 CE2 TRP A 93 -15.473 1.408 14.876 1.00 24.24 C ATOM 1322 CE3 TRP A 93 -15.880 2.317 12.676 1.00 63.52 C ATOM 1323 CZ2 TRP A 93 -16.773 0.916 14.963 1.00 5.51 C ATOM 1324 CZ3 TRP A 93 -17.169 1.828 12.763 1.00 13.02 C ATOM 1325 CH2 TRP A 93 -17.606 1.135 13.900 1.00 12.43 C ATOM 0 H TRP A 93 -10.607 3.954 11.614 1.00 34.04 H new ATOM 0 HA TRP A 93 -11.377 1.540 13.150 1.00 54.14 H new ATOM 0 HB2 TRP A 93 -12.248 4.019 13.641 1.00 23.23 H new ATOM 0 HB3 TRP A 93 -13.314 3.677 12.293 1.00 23.23 H new ATOM 0 HD1 TRP A 93 -12.385 2.070 15.730 1.00 2.41 H new ATOM 0 HE1 TRP A 93 -14.477 0.888 16.688 1.00 72.03 H new ATOM 0 HE3 TRP A 93 -15.553 2.852 11.797 1.00 63.52 H new ATOM 0 HZ2 TRP A 93 -17.111 0.381 15.838 1.00 5.51 H new ATOM 0 HZ3 TRP A 93 -17.852 1.982 11.941 1.00 13.02 H new ATOM 0 HH2 TRP A 93 -18.620 0.767 13.938 1.00 12.43 H new ATOM 1336 N ASN A 94 -12.134 0.368 11.119 1.00 71.41 N ATOM 1337 CA ASN A 94 -12.612 -0.365 9.952 1.00 45.24 C ATOM 1338 C ASN A 94 -12.391 -1.865 10.123 1.00 51.30 C ATOM 1339 O ASN A 94 -11.528 -2.308 10.880 1.00 4.14 O ATOM 1340 CB ASN A 94 -11.899 0.126 8.689 1.00 34.25 C ATOM 1341 CG ASN A 94 -10.408 0.306 8.900 1.00 54.10 C ATOM 1342 OD1 ASN A 94 -9.673 -0.665 9.077 1.00 33.33 O ATOM 1343 ND2 ASN A 94 -9.955 1.554 8.882 1.00 51.25 N ATOM 0 H ASN A 94 -11.774 -0.222 11.869 1.00 71.41 H new ATOM 0 HA ASN A 94 -13.682 -0.183 9.852 1.00 45.24 H new ATOM 0 HB2 ASN A 94 -12.065 -0.586 7.881 1.00 34.25 H new ATOM 0 HB3 ASN A 94 -12.336 1.074 8.374 1.00 34.25 H new ATOM 0 HD21 ASN A 94 -8.961 1.738 9.018 1.00 51.25 H new ATOM 0 HD22 ASN A 94 -10.601 2.329 8.732 1.00 51.25 H new ATOM 1350 N PRO A 95 -13.190 -2.666 9.402 1.00 23.25 N ATOM 1351 CA PRO A 95 -13.101 -4.128 9.456 1.00 25.45 C ATOM 1352 C PRO A 95 -11.824 -4.656 8.810 1.00 51.41 C ATOM 1353 O PRO A 95 -11.485 -4.281 7.687 1.00 75.30 O ATOM 1354 CB PRO A 95 -14.329 -4.588 8.667 1.00 21.03 C ATOM 1355 CG PRO A 95 -14.630 -3.459 7.743 1.00 1.13 C ATOM 1356 CD PRO A 95 -14.241 -2.207 8.479 1.00 2.42 C ATOM 0 HA PRO A 95 -13.074 -4.497 10.481 1.00 25.45 H new ATOM 0 HB2 PRO A 95 -14.125 -5.506 8.117 1.00 21.03 H new ATOM 0 HB3 PRO A 95 -15.171 -4.793 9.329 1.00 21.03 H new ATOM 0 HG2 PRO A 95 -14.069 -3.555 6.813 1.00 1.13 H new ATOM 0 HG3 PRO A 95 -15.687 -3.443 7.477 1.00 1.13 H new ATOM 0 HD2 PRO A 95 -13.871 -1.440 7.799 1.00 2.42 H new ATOM 0 HD3 PRO A 95 -15.087 -1.777 9.015 1.00 2.42 H new ATOM 1364 N ASP A 96 -11.120 -5.526 9.525 1.00 33.01 N ATOM 1365 CA ASP A 96 -9.881 -6.106 9.020 1.00 73.10 C ATOM 1366 C ASP A 96 -10.152 -6.998 7.812 1.00 22.14 C ATOM 1367 O ASP A 96 -9.401 -6.984 6.837 1.00 25.33 O ATOM 1368 CB ASP A 96 -9.185 -6.911 10.118 1.00 0.04 C ATOM 1369 CG ASP A 96 -10.127 -7.870 10.819 1.00 11.12 C ATOM 1370 OD1 ASP A 96 -10.855 -7.426 11.732 1.00 72.21 O ATOM 1371 OD2 ASP A 96 -10.137 -9.064 10.454 1.00 31.03 O ATOM 0 H ASP A 96 -11.386 -5.845 10.456 1.00 33.01 H new ATOM 0 HA ASP A 96 -9.228 -5.291 8.708 1.00 73.10 H new ATOM 0 HB2 ASP A 96 -8.357 -7.472 9.684 1.00 0.04 H new ATOM 0 HB3 ASP A 96 -8.757 -6.226 10.850 1.00 0.04 H new ATOM 1376 N SER A 97 -11.229 -7.774 7.885 1.00 2.42 N ATOM 1377 CA SER A 97 -11.596 -8.676 6.800 1.00 22.11 C ATOM 1378 C SER A 97 -12.842 -8.176 6.075 1.00 4.33 C ATOM 1379 O SER A 97 -13.465 -8.910 5.309 1.00 4.53 O ATOM 1380 CB SER A 97 -11.839 -10.086 7.341 1.00 23.24 C ATOM 1381 OG SER A 97 -10.859 -10.992 6.863 1.00 12.21 O ATOM 0 H SER A 97 -11.862 -7.796 8.684 1.00 2.42 H new ATOM 0 HA SER A 97 -10.770 -8.704 6.089 1.00 22.11 H new ATOM 0 HB2 SER A 97 -11.822 -10.069 8.431 1.00 23.24 H new ATOM 0 HB3 SER A 97 -12.830 -10.427 7.043 1.00 23.24 H new ATOM 0 HG SER A 97 -11.036 -11.886 7.224 1.00 12.21 H new ATOM 1387 N GLY A 98 -13.199 -6.919 6.324 1.00 62.31 N ATOM 1388 CA GLY A 98 -14.368 -6.341 5.688 1.00 33.02 C ATOM 1389 C GLY A 98 -14.293 -6.396 4.175 1.00 22.43 C ATOM 1390 O GLY A 98 -14.639 -7.408 3.567 1.00 73.15 O ATOM 0 H GLY A 98 -12.700 -6.292 6.954 1.00 62.31 H new ATOM 0 HA2 GLY A 98 -15.259 -6.871 6.024 1.00 33.02 H new ATOM 0 HA3 GLY A 98 -14.475 -5.304 6.006 1.00 33.02 H new ATOM 1394 N ALA A 99 -13.840 -5.305 3.567 1.00 71.13 N ATOM 1395 CA ALA A 99 -13.720 -5.234 2.116 1.00 51.32 C ATOM 1396 C ALA A 99 -12.258 -5.171 1.688 1.00 23.12 C ATOM 1397 O ALA A 99 -11.373 -4.814 2.466 1.00 11.15 O ATOM 1398 CB ALA A 99 -14.480 -4.029 1.582 1.00 51.40 C ATOM 0 H ALA A 99 -13.550 -4.458 4.056 1.00 71.13 H new ATOM 0 HA ALA A 99 -14.156 -6.141 1.696 1.00 51.32 H new ATOM 0 HB1 ALA A 99 -14.382 -3.988 0.497 1.00 51.40 H new ATOM 0 HB2 ALA A 99 -15.533 -4.116 1.848 1.00 51.40 H new ATOM 0 HB3 ALA A 99 -14.070 -3.118 2.018 1.00 51.40 H new ATOM 1404 N PRO A 100 -11.995 -5.527 0.422 1.00 22.10 N ATOM 1405 CA PRO A 100 -10.640 -5.520 -0.137 1.00 42.43 C ATOM 1406 C PRO A 100 -10.095 -4.107 -0.318 1.00 1.12 C ATOM 1407 O PRO A 100 -8.920 -3.847 -0.059 1.00 63.00 O ATOM 1408 CB PRO A 100 -10.813 -6.204 -1.496 1.00 0.43 C ATOM 1409 CG PRO A 100 -12.239 -5.970 -1.858 1.00 70.32 C ATOM 1410 CD PRO A 100 -13.000 -5.964 -0.561 1.00 52.44 C ATOM 0 HA PRO A 100 -9.926 -6.018 0.519 1.00 42.43 H new ATOM 0 HB2 PRO A 100 -10.140 -5.780 -2.241 1.00 0.43 H new ATOM 0 HB3 PRO A 100 -10.590 -7.269 -1.435 1.00 0.43 H new ATOM 0 HG2 PRO A 100 -12.358 -5.023 -2.384 1.00 70.32 H new ATOM 0 HG3 PRO A 100 -12.606 -6.752 -2.522 1.00 70.32 H new ATOM 0 HD2 PRO A 100 -13.850 -5.282 -0.597 1.00 52.44 H new ATOM 0 HD3 PRO A 100 -13.394 -6.952 -0.321 1.00 52.44 H new ATOM 1418 N ARG A 101 -10.956 -3.198 -0.763 1.00 12.22 N ATOM 1419 CA ARG A 101 -10.560 -1.811 -0.978 1.00 73.44 C ATOM 1420 C ARG A 101 -10.232 -1.128 0.346 1.00 40.55 C ATOM 1421 O ARG A 101 -9.246 -0.398 0.453 1.00 43.13 O ATOM 1422 CB ARG A 101 -11.673 -1.047 -1.697 1.00 53.24 C ATOM 1423 CG ARG A 101 -11.526 -1.037 -3.210 1.00 53.32 C ATOM 1424 CD ARG A 101 -11.625 -2.439 -3.789 1.00 30.52 C ATOM 1425 NE ARG A 101 -12.492 -2.487 -4.963 1.00 32.51 N ATOM 1426 CZ ARG A 101 -12.759 -3.602 -5.634 1.00 73.22 C ATOM 1427 NH1 ARG A 101 -12.230 -4.755 -5.249 1.00 64.00 N ATOM 1428 NH2 ARG A 101 -13.558 -3.565 -6.693 1.00 33.20 N ATOM 0 H ARG A 101 -11.932 -3.397 -0.982 1.00 12.22 H new ATOM 0 HA ARG A 101 -9.665 -1.807 -1.600 1.00 73.44 H new ATOM 0 HB2 ARG A 101 -12.634 -1.491 -1.437 1.00 53.24 H new ATOM 0 HB3 ARG A 101 -11.689 -0.019 -1.335 1.00 53.24 H new ATOM 0 HG2 ARG A 101 -12.300 -0.406 -3.648 1.00 53.32 H new ATOM 0 HG3 ARG A 101 -10.566 -0.598 -3.480 1.00 53.32 H new ATOM 0 HD2 ARG A 101 -10.629 -2.791 -4.059 1.00 30.52 H new ATOM 0 HD3 ARG A 101 -12.008 -3.119 -3.028 1.00 30.52 H new ATOM 0 HE ARG A 101 -12.916 -1.617 -5.285 1.00 32.51 H new ATOM 0 HH11 ARG A 101 -11.616 -4.788 -4.435 1.00 64.00 H new ATOM 0 HH12 ARG A 101 -12.437 -5.609 -5.766 1.00 64.00 H new ATOM 0 HH21 ARG A 101 -13.968 -2.680 -6.992 1.00 33.20 H new ATOM 0 HH22 ARG A 101 -13.763 -4.422 -7.208 1.00 33.20 H new ATOM 1442 N THR A 102 -11.066 -1.368 1.353 1.00 42.12 N ATOM 1443 CA THR A 102 -10.866 -0.775 2.669 1.00 43.42 C ATOM 1444 C THR A 102 -9.614 -1.330 3.338 1.00 45.23 C ATOM 1445 O THR A 102 -8.884 -0.604 4.013 1.00 43.20 O ATOM 1446 CB THR A 102 -12.077 -1.023 3.587 1.00 54.20 C ATOM 1447 OG1 THR A 102 -13.265 -0.496 2.984 1.00 22.42 O ATOM 1448 CG2 THR A 102 -11.865 -0.378 4.949 1.00 74.53 C ATOM 0 H THR A 102 -11.887 -1.969 1.282 1.00 42.12 H new ATOM 0 HA THR A 102 -10.748 0.298 2.517 1.00 43.42 H new ATOM 0 HB THR A 102 -12.186 -2.099 3.725 1.00 54.20 H new ATOM 0 HG1 THR A 102 -14.012 -0.571 3.614 1.00 22.42 H new ATOM 0 HG21 THR A 102 -12.734 -0.567 5.580 1.00 74.53 H new ATOM 0 HG22 THR A 102 -10.977 -0.802 5.418 1.00 74.53 H new ATOM 0 HG23 THR A 102 -11.733 0.697 4.826 1.00 74.53 H new ATOM 1456 N LYS A 103 -9.369 -2.622 3.145 1.00 11.45 N ATOM 1457 CA LYS A 103 -8.203 -3.275 3.728 1.00 33.33 C ATOM 1458 C LYS A 103 -6.916 -2.758 3.094 1.00 20.32 C ATOM 1459 O LYS A 103 -5.954 -2.441 3.792 1.00 4.52 O ATOM 1460 CB LYS A 103 -8.300 -4.792 3.548 1.00 40.10 C ATOM 1461 CG LYS A 103 -7.007 -5.525 3.859 1.00 22.15 C ATOM 1462 CD LYS A 103 -7.250 -6.730 4.753 1.00 51.21 C ATOM 1463 CE LYS A 103 -6.491 -7.952 4.260 1.00 42.04 C ATOM 1464 NZ LYS A 103 -6.165 -8.888 5.371 1.00 61.33 N ATOM 0 H LYS A 103 -9.963 -3.237 2.589 1.00 11.45 H new ATOM 0 HA LYS A 103 -8.181 -3.042 4.793 1.00 33.33 H new ATOM 0 HB2 LYS A 103 -9.090 -5.176 4.193 1.00 40.10 H new ATOM 0 HB3 LYS A 103 -8.593 -5.010 2.521 1.00 40.10 H new ATOM 0 HG2 LYS A 103 -6.539 -5.849 2.930 1.00 22.15 H new ATOM 0 HG3 LYS A 103 -6.310 -4.844 4.347 1.00 22.15 H new ATOM 0 HD2 LYS A 103 -6.942 -6.496 5.772 1.00 51.21 H new ATOM 0 HD3 LYS A 103 -8.317 -6.951 4.785 1.00 51.21 H new ATOM 0 HE2 LYS A 103 -7.088 -8.472 3.510 1.00 42.04 H new ATOM 0 HE3 LYS A 103 -5.570 -7.635 3.771 1.00 42.04 H new ATOM 0 HZ1 LYS A 103 -5.648 -9.708 4.994 1.00 61.33 H new ATOM 0 HZ2 LYS A 103 -5.575 -8.400 6.074 1.00 61.33 H new ATOM 0 HZ3 LYS A 103 -7.045 -9.211 5.822 1.00 61.33 H new ATOM 1478 N MET A 104 -6.907 -2.676 1.768 1.00 43.32 N ATOM 1479 CA MET A 104 -5.738 -2.194 1.041 1.00 61.44 C ATOM 1480 C MET A 104 -5.551 -0.694 1.243 1.00 34.03 C ATOM 1481 O MET A 104 -4.431 -0.217 1.432 1.00 34.31 O ATOM 1482 CB MET A 104 -5.875 -2.506 -0.451 1.00 25.21 C ATOM 1483 CG MET A 104 -4.653 -2.116 -1.268 1.00 33.13 C ATOM 1484 SD MET A 104 -3.761 -3.546 -1.909 1.00 0.31 S ATOM 1485 CE MET A 104 -2.567 -2.747 -2.979 1.00 24.44 C ATOM 0 H MET A 104 -7.695 -2.937 1.175 1.00 43.32 H new ATOM 0 HA MET A 104 -4.860 -2.707 1.434 1.00 61.44 H new ATOM 0 HB2 MET A 104 -6.060 -3.573 -0.575 1.00 25.21 H new ATOM 0 HB3 MET A 104 -6.747 -1.984 -0.845 1.00 25.21 H new ATOM 0 HG2 MET A 104 -4.964 -1.484 -2.100 1.00 33.13 H new ATOM 0 HG3 MET A 104 -3.981 -1.521 -0.649 1.00 33.13 H new ATOM 0 HE1 MET A 104 -1.938 -3.502 -3.451 1.00 24.44 H new ATOM 0 HE2 MET A 104 -3.090 -2.179 -3.748 1.00 24.44 H new ATOM 0 HE3 MET A 104 -1.945 -2.073 -2.390 1.00 24.44 H new ATOM 1495 N LEU A 105 -6.654 0.045 1.203 1.00 52.43 N ATOM 1496 CA LEU A 105 -6.612 1.493 1.382 1.00 70.42 C ATOM 1497 C LEU A 105 -5.921 1.859 2.691 1.00 4.30 C ATOM 1498 O LEU A 105 -5.300 2.917 2.802 1.00 20.00 O ATOM 1499 CB LEU A 105 -8.028 2.070 1.361 1.00 52.45 C ATOM 1500 CG LEU A 105 -8.599 2.398 -0.020 1.00 3.22 C ATOM 1501 CD1 LEU A 105 -10.113 2.523 0.044 1.00 30.53 C ATOM 1502 CD2 LEU A 105 -7.979 3.678 -0.563 1.00 32.42 C ATOM 0 H LEU A 105 -7.588 -0.334 1.048 1.00 52.43 H new ATOM 0 HA LEU A 105 -6.040 1.920 0.558 1.00 70.42 H new ATOM 0 HB2 LEU A 105 -8.696 1.360 1.849 1.00 52.45 H new ATOM 0 HB3 LEU A 105 -8.037 2.980 1.961 1.00 52.45 H new ATOM 0 HG LEU A 105 -8.351 1.581 -0.698 1.00 3.22 H new ATOM 0 HD11 LEU A 105 -10.501 2.757 -0.947 1.00 30.53 H new ATOM 0 HD12 LEU A 105 -10.542 1.582 0.389 1.00 30.53 H new ATOM 0 HD13 LEU A 105 -10.383 3.320 0.736 1.00 30.53 H new ATOM 0 HD21 LEU A 105 -8.397 3.896 -1.546 1.00 32.42 H new ATOM 0 HD22 LEU A 105 -8.196 4.503 0.115 1.00 32.42 H new ATOM 0 HD23 LEU A 105 -6.900 3.552 -0.647 1.00 32.42 H new ATOM 1514 N TYR A 106 -6.030 0.978 3.679 1.00 52.12 N ATOM 1515 CA TYR A 106 -5.416 1.209 4.981 1.00 42.12 C ATOM 1516 C TYR A 106 -3.906 1.383 4.847 1.00 1.05 C ATOM 1517 O TYR A 106 -3.290 2.149 5.588 1.00 12.34 O ATOM 1518 CB TYR A 106 -5.725 0.048 5.927 1.00 20.13 C ATOM 1519 CG TYR A 106 -4.944 0.097 7.221 1.00 30.10 C ATOM 1520 CD1 TYR A 106 -5.180 1.093 8.160 1.00 1.43 C ATOM 1521 CD2 TYR A 106 -3.970 -0.852 7.504 1.00 62.40 C ATOM 1522 CE1 TYR A 106 -4.468 1.143 9.343 1.00 35.35 C ATOM 1523 CE2 TYR A 106 -3.255 -0.812 8.685 1.00 4.21 C ATOM 1524 CZ TYR A 106 -3.507 0.188 9.601 1.00 34.45 C ATOM 1525 OH TYR A 106 -2.796 0.232 10.779 1.00 50.44 O ATOM 0 H TYR A 106 -6.538 0.097 3.603 1.00 52.12 H new ATOM 0 HA TYR A 106 -5.834 2.127 5.395 1.00 42.12 H new ATOM 0 HB2 TYR A 106 -6.791 0.050 6.155 1.00 20.13 H new ATOM 0 HB3 TYR A 106 -5.510 -0.892 5.418 1.00 20.13 H new ATOM 0 HD1 TYR A 106 -5.933 1.841 7.962 1.00 1.43 H new ATOM 0 HD2 TYR A 106 -3.768 -1.635 6.788 1.00 62.40 H new ATOM 0 HE1 TYR A 106 -4.663 1.925 10.062 1.00 35.35 H new ATOM 0 HE2 TYR A 106 -2.503 -1.559 8.890 1.00 4.21 H new ATOM 0 HH TYR A 106 -3.096 0.997 11.314 1.00 50.44 H new ATOM 1535 N SER A 107 -3.316 0.666 3.897 1.00 61.24 N ATOM 1536 CA SER A 107 -1.878 0.737 3.667 1.00 43.35 C ATOM 1537 C SER A 107 -1.558 1.691 2.519 1.00 22.14 C ATOM 1538 O SER A 107 -0.495 2.312 2.492 1.00 54.01 O ATOM 1539 CB SER A 107 -1.319 -0.654 3.359 1.00 13.44 C ATOM 1540 OG SER A 107 -2.202 -1.385 2.526 1.00 2.20 O ATOM 0 H SER A 107 -3.812 0.029 3.274 1.00 61.24 H new ATOM 0 HA SER A 107 -1.409 1.117 4.575 1.00 43.35 H new ATOM 0 HB2 SER A 107 -0.349 -0.560 2.872 1.00 13.44 H new ATOM 0 HB3 SER A 107 -1.157 -1.199 4.289 1.00 13.44 H new ATOM 0 HG SER A 107 -2.841 -0.771 2.108 1.00 2.20 H new ATOM 1546 N SER A 108 -2.485 1.801 1.574 1.00 53.23 N ATOM 1547 CA SER A 108 -2.302 2.676 0.421 1.00 23.34 C ATOM 1548 C SER A 108 -2.289 4.141 0.848 1.00 65.53 C ATOM 1549 O SER A 108 -1.687 4.986 0.185 1.00 33.10 O ATOM 1550 CB SER A 108 -3.412 2.441 -0.605 1.00 43.52 C ATOM 1551 OG SER A 108 -2.906 1.806 -1.767 1.00 34.14 O ATOM 0 H SER A 108 -3.371 1.295 1.583 1.00 53.23 H new ATOM 0 HA SER A 108 -1.340 2.440 -0.035 1.00 23.34 H new ATOM 0 HB2 SER A 108 -4.196 1.826 -0.163 1.00 43.52 H new ATOM 0 HB3 SER A 108 -3.868 3.393 -0.876 1.00 43.52 H new ATOM 0 HG SER A 108 -3.635 1.665 -2.407 1.00 34.14 H new ATOM 1557 N SER A 109 -2.956 4.433 1.959 1.00 35.10 N ATOM 1558 CA SER A 109 -3.026 5.796 2.473 1.00 23.31 C ATOM 1559 C SER A 109 -2.013 6.005 3.595 1.00 42.44 C ATOM 1560 O SER A 109 -1.465 7.096 3.755 1.00 13.24 O ATOM 1561 CB SER A 109 -4.436 6.101 2.981 1.00 73.31 C ATOM 1562 OG SER A 109 -4.618 7.492 3.177 1.00 41.41 O ATOM 0 H SER A 109 -3.456 3.744 2.521 1.00 35.10 H new ATOM 0 HA SER A 109 -2.786 6.478 1.657 1.00 23.31 H new ATOM 0 HB2 SER A 109 -5.171 5.732 2.266 1.00 73.31 H new ATOM 0 HB3 SER A 109 -4.610 5.573 3.918 1.00 73.31 H new ATOM 0 HG SER A 109 -5.375 7.641 3.782 1.00 41.41 H new ATOM 1568 N ARG A 110 -1.769 4.952 4.368 1.00 50.23 N ATOM 1569 CA ARG A 110 -0.823 5.020 5.475 1.00 34.02 C ATOM 1570 C ARG A 110 0.551 5.472 4.990 1.00 52.31 C ATOM 1571 O ARG A 110 1.233 6.247 5.661 1.00 61.21 O ATOM 1572 CB ARG A 110 -0.711 3.657 6.162 1.00 44.44 C ATOM 1573 CG ARG A 110 -1.443 3.583 7.491 1.00 33.31 C ATOM 1574 CD ARG A 110 -0.957 2.411 8.330 1.00 10.41 C ATOM 1575 NE ARG A 110 -0.906 1.171 7.561 1.00 40.02 N ATOM 1576 CZ ARG A 110 -0.174 0.119 7.911 1.00 74.14 C ATOM 1577 NH1 ARG A 110 0.563 0.157 9.012 1.00 63.34 N ATOM 1578 NH2 ARG A 110 -0.180 -0.974 7.159 1.00 73.44 N ATOM 0 H ARG A 110 -2.213 4.042 4.248 1.00 50.23 H new ATOM 0 HA ARG A 110 -1.194 5.752 6.193 1.00 34.02 H new ATOM 0 HB2 ARG A 110 -1.107 2.890 5.496 1.00 44.44 H new ATOM 0 HB3 ARG A 110 0.342 3.426 6.324 1.00 44.44 H new ATOM 0 HG2 ARG A 110 -1.295 4.512 8.041 1.00 33.31 H new ATOM 0 HG3 ARG A 110 -2.514 3.485 7.313 1.00 33.31 H new ATOM 0 HD2 ARG A 110 0.034 2.634 8.724 1.00 10.41 H new ATOM 0 HD3 ARG A 110 -1.618 2.279 9.186 1.00 10.41 H new ATOM 0 HE ARG A 110 -1.463 1.109 6.709 1.00 40.02 H new ATOM 0 HH11 ARG A 110 0.569 0.995 9.593 1.00 63.34 H new ATOM 0 HH12 ARG A 110 1.124 -0.652 9.278 1.00 63.34 H new ATOM 0 HH21 ARG A 110 -0.747 -1.007 6.312 1.00 73.44 H new ATOM 0 HH22 ARG A 110 0.382 -1.781 7.428 1.00 73.44 H new ATOM 1592 N ASP A 111 0.950 4.983 3.821 1.00 0.21 N ATOM 1593 CA ASP A 111 2.242 5.337 3.245 1.00 3.34 C ATOM 1594 C ASP A 111 2.322 6.835 2.969 1.00 51.41 C ATOM 1595 O ASP A 111 3.354 7.465 3.198 1.00 23.20 O ATOM 1596 CB ASP A 111 2.481 4.554 1.953 1.00 13.34 C ATOM 1597 CG ASP A 111 3.954 4.415 1.624 1.00 20.24 C ATOM 1598 OD1 ASP A 111 4.622 3.561 2.245 1.00 52.42 O ATOM 1599 OD2 ASP A 111 4.440 5.160 0.747 1.00 34.32 O ATOM 0 H ASP A 111 0.397 4.340 3.254 1.00 0.21 H new ATOM 0 HA ASP A 111 3.017 5.077 3.966 1.00 3.34 H new ATOM 0 HB2 ASP A 111 2.037 3.563 2.045 1.00 13.34 H new ATOM 0 HB3 ASP A 111 1.973 5.055 1.129 1.00 13.34 H new ATOM 1604 N ALA A 112 1.225 7.400 2.474 1.00 21.22 N ATOM 1605 CA ALA A 112 1.171 8.824 2.167 1.00 34.33 C ATOM 1606 C ALA A 112 0.951 9.649 3.430 1.00 2.54 C ATOM 1607 O ALA A 112 1.301 10.830 3.482 1.00 74.55 O ATOM 1608 CB ALA A 112 0.071 9.103 1.154 1.00 52.41 C ATOM 0 H ALA A 112 0.362 6.893 2.277 1.00 21.22 H new ATOM 0 HA ALA A 112 2.129 9.115 1.736 1.00 34.33 H new ATOM 0 HB1 ALA A 112 0.041 10.170 0.934 1.00 52.41 H new ATOM 0 HB2 ALA A 112 0.271 8.548 0.237 1.00 52.41 H new ATOM 0 HB3 ALA A 112 -0.889 8.791 1.564 1.00 52.41 H new ATOM 1614 N LEU A 113 0.370 9.023 4.448 1.00 41.05 N ATOM 1615 CA LEU A 113 0.103 9.701 5.712 1.00 62.44 C ATOM 1616 C LEU A 113 1.339 9.692 6.606 1.00 71.42 C ATOM 1617 O LEU A 113 1.507 10.563 7.459 1.00 43.11 O ATOM 1618 CB LEU A 113 -1.068 9.032 6.434 1.00 41.11 C ATOM 1619 CG LEU A 113 -2.396 9.789 6.403 1.00 41.40 C ATOM 1620 CD1 LEU A 113 -3.467 8.961 5.710 1.00 22.04 C ATOM 1621 CD2 LEU A 113 -2.833 10.157 7.813 1.00 1.54 C ATOM 0 H LEU A 113 0.075 8.047 4.423 1.00 41.05 H new ATOM 0 HA LEU A 113 -0.157 10.737 5.493 1.00 62.44 H new ATOM 0 HB2 LEU A 113 -1.224 8.047 5.995 1.00 41.11 H new ATOM 0 HB3 LEU A 113 -0.786 8.876 7.475 1.00 41.11 H new ATOM 0 HG LEU A 113 -2.254 10.709 5.836 1.00 41.40 H new ATOM 0 HD11 LEU A 113 -4.405 9.516 5.698 1.00 22.04 H new ATOM 0 HD12 LEU A 113 -3.157 8.749 4.687 1.00 22.04 H new ATOM 0 HD13 LEU A 113 -3.607 8.024 6.248 1.00 22.04 H new ATOM 0 HD21 LEU A 113 -3.780 10.695 7.772 1.00 1.54 H new ATOM 0 HD22 LEU A 113 -2.957 9.250 8.404 1.00 1.54 H new ATOM 0 HD23 LEU A 113 -2.076 10.790 8.275 1.00 1.54 H new ATOM 1633 N VAL A 114 2.202 8.702 6.403 1.00 25.52 N ATOM 1634 CA VAL A 114 3.425 8.581 7.189 1.00 71.34 C ATOM 1635 C VAL A 114 4.206 9.890 7.194 1.00 20.14 C ATOM 1636 O VAL A 114 4.526 10.446 8.245 1.00 23.12 O ATOM 1637 CB VAL A 114 4.330 7.458 6.648 1.00 24.24 C ATOM 1638 CG1 VAL A 114 5.793 7.774 6.921 1.00 62.32 C ATOM 1639 CG2 VAL A 114 3.942 6.120 7.260 1.00 3.33 C ATOM 0 H VAL A 114 2.077 7.972 5.701 1.00 25.52 H new ATOM 0 HA VAL A 114 3.124 8.337 8.208 1.00 71.34 H new ATOM 0 HB VAL A 114 4.192 7.392 5.569 1.00 24.24 H new ATOM 0 HG11 VAL A 114 6.418 6.970 6.532 1.00 62.32 H new ATOM 0 HG12 VAL A 114 6.060 8.710 6.431 1.00 62.32 H new ATOM 0 HG13 VAL A 114 5.951 7.868 7.995 1.00 62.32 H new ATOM 0 HG21 VAL A 114 4.592 5.338 6.867 1.00 3.33 H new ATOM 0 HG22 VAL A 114 4.050 6.171 8.343 1.00 3.33 H new ATOM 0 HG23 VAL A 114 2.906 5.892 7.009 1.00 3.33 H new ATOM 1649 N PRO A 115 4.521 10.396 5.993 1.00 52.41 N ATOM 1650 CA PRO A 115 5.268 11.648 5.832 1.00 33.53 C ATOM 1651 C PRO A 115 4.450 12.868 6.241 1.00 34.44 C ATOM 1652 O PRO A 115 4.992 13.850 6.748 1.00 4.34 O ATOM 1653 CB PRO A 115 5.574 11.687 4.333 1.00 5.52 C ATOM 1654 CG PRO A 115 4.502 10.866 3.705 1.00 1.00 C ATOM 1655 CD PRO A 115 4.171 9.787 4.699 1.00 43.02 C ATOM 0 HA PRO A 115 6.156 11.677 6.463 1.00 33.53 H new ATOM 0 HB2 PRO A 115 5.563 12.709 3.953 1.00 5.52 H new ATOM 0 HB3 PRO A 115 6.562 11.278 4.120 1.00 5.52 H new ATOM 0 HG2 PRO A 115 3.625 11.474 3.482 1.00 1.00 H new ATOM 0 HG3 PRO A 115 4.841 10.437 2.762 1.00 1.00 H new ATOM 0 HD2 PRO A 115 3.117 9.511 4.657 1.00 43.02 H new ATOM 0 HD3 PRO A 115 4.746 8.880 4.513 1.00 43.02 H new ATOM 1663 N LEU A 116 3.142 12.799 6.019 1.00 72.13 N ATOM 1664 CA LEU A 116 2.248 13.899 6.365 1.00 71.51 C ATOM 1665 C LEU A 116 2.183 14.092 7.877 1.00 74.15 C ATOM 1666 O LEU A 116 2.196 15.220 8.371 1.00 62.22 O ATOM 1667 CB LEU A 116 0.846 13.636 5.812 1.00 61.22 C ATOM 1668 CG LEU A 116 0.032 14.873 5.431 1.00 30.21 C ATOM 1669 CD1 LEU A 116 -0.003 15.864 6.584 1.00 43.54 C ATOM 1670 CD2 LEU A 116 0.605 15.525 4.181 1.00 23.33 C ATOM 0 H LEU A 116 2.677 11.993 5.601 1.00 72.13 H new ATOM 0 HA LEU A 116 2.643 14.811 5.917 1.00 71.51 H new ATOM 0 HB2 LEU A 116 0.938 13.001 4.931 1.00 61.22 H new ATOM 0 HB3 LEU A 116 0.284 13.071 6.555 1.00 61.22 H new ATOM 0 HG LEU A 116 -0.990 14.560 5.216 1.00 30.21 H new ATOM 0 HD11 LEU A 116 -0.587 16.738 6.295 1.00 43.54 H new ATOM 0 HD12 LEU A 116 -0.461 15.394 7.454 1.00 43.54 H new ATOM 0 HD13 LEU A 116 1.013 16.172 6.830 1.00 43.54 H new ATOM 0 HD21 LEU A 116 0.013 16.404 3.925 1.00 23.33 H new ATOM 0 HD22 LEU A 116 1.637 15.824 4.367 1.00 23.33 H new ATOM 0 HD23 LEU A 116 0.577 14.815 3.355 1.00 23.33 H new ATOM 1682 N THR A 117 2.114 12.983 8.607 1.00 15.54 N ATOM 1683 CA THR A 117 2.047 13.030 10.063 1.00 44.44 C ATOM 1684 C THR A 117 3.066 12.086 10.690 1.00 61.30 C ATOM 1685 O THR A 117 2.702 11.062 11.268 1.00 61.12 O ATOM 1686 CB THR A 117 0.641 12.663 10.573 1.00 2.31 C ATOM 1687 OG1 THR A 117 0.333 11.308 10.229 1.00 64.12 O ATOM 1688 CG2 THR A 117 -0.408 13.593 9.983 1.00 75.31 C ATOM 0 H THR A 117 2.103 12.042 8.214 1.00 15.54 H new ATOM 0 HA THR A 117 2.275 14.054 10.357 1.00 44.44 H new ATOM 0 HB THR A 117 0.632 12.772 11.657 1.00 2.31 H new ATOM 0 HG1 THR A 117 1.082 10.728 10.480 1.00 64.12 H new ATOM 0 HG21 THR A 117 -1.393 13.315 10.357 1.00 75.31 H new ATOM 0 HG22 THR A 117 -0.187 14.621 10.272 1.00 75.31 H new ATOM 0 HG23 THR A 117 -0.397 13.511 8.896 1.00 75.31 H new ATOM 1696 N GLN A 118 4.343 12.437 10.573 1.00 74.13 N ATOM 1697 CA GLN A 118 5.414 11.619 11.129 1.00 34.23 C ATOM 1698 C GLN A 118 5.632 11.938 12.605 1.00 51.15 C ATOM 1699 O GLN A 118 5.901 13.082 12.969 1.00 23.33 O ATOM 1700 CB GLN A 118 6.711 11.841 10.350 1.00 70.41 C ATOM 1701 CG GLN A 118 7.377 10.551 9.898 1.00 51.15 C ATOM 1702 CD GLN A 118 8.727 10.788 9.250 1.00 70.44 C ATOM 1703 OE1 GLN A 118 9.519 11.606 9.719 1.00 73.24 O ATOM 1704 NE2 GLN A 118 8.997 10.071 8.165 1.00 22.42 N ATOM 0 H GLN A 118 4.661 13.282 10.098 1.00 74.13 H new ATOM 0 HA GLN A 118 5.121 10.573 11.041 1.00 34.23 H new ATOM 0 HB2 GLN A 118 6.499 12.457 9.476 1.00 70.41 H new ATOM 0 HB3 GLN A 118 7.408 12.401 10.973 1.00 70.41 H new ATOM 0 HG2 GLN A 118 7.501 9.890 10.756 1.00 51.15 H new ATOM 0 HG3 GLN A 118 6.724 10.037 9.192 1.00 51.15 H new ATOM 0 HE21 GLN A 118 8.311 9.404 7.811 1.00 22.42 H new ATOM 0 HE22 GLN A 118 9.890 10.187 7.686 1.00 22.42 H new ATOM 1713 N GLY A 119 5.513 10.918 13.450 1.00 42.43 N ATOM 1714 CA GLY A 119 5.700 11.111 14.876 1.00 42.42 C ATOM 1715 C GLY A 119 4.597 10.474 15.697 1.00 54.33 C ATOM 1716 O GLY A 119 4.862 9.815 16.702 1.00 63.10 O ATOM 0 H GLY A 119 5.291 9.962 13.172 1.00 42.43 H new ATOM 0 HA2 GLY A 119 6.660 10.689 15.174 1.00 42.42 H new ATOM 0 HA3 GLY A 119 5.740 12.178 15.093 1.00 42.42 H new ATOM 1720 N PHE A 120 3.354 10.672 15.269 1.00 11.24 N ATOM 1721 CA PHE A 120 2.205 10.114 15.974 1.00 43.14 C ATOM 1722 C PHE A 120 2.140 8.600 15.793 1.00 12.32 C ATOM 1723 O PHE A 120 2.705 8.053 14.847 1.00 52.33 O ATOM 1724 CB PHE A 120 0.911 10.756 15.470 1.00 33.41 C ATOM 1725 CG PHE A 120 0.958 12.257 15.439 1.00 30.50 C ATOM 1726 CD1 PHE A 120 1.502 12.968 16.497 1.00 74.33 C ATOM 1727 CD2 PHE A 120 0.459 12.956 14.352 1.00 4.20 C ATOM 1728 CE1 PHE A 120 1.546 14.349 16.471 1.00 74.22 C ATOM 1729 CE2 PHE A 120 0.501 14.337 14.320 1.00 1.54 C ATOM 1730 CZ PHE A 120 1.046 15.034 15.381 1.00 51.51 C ATOM 0 H PHE A 120 3.117 11.214 14.438 1.00 11.24 H new ATOM 0 HA PHE A 120 2.320 10.331 17.036 1.00 43.14 H new ATOM 0 HB2 PHE A 120 0.698 10.386 14.467 1.00 33.41 H new ATOM 0 HB3 PHE A 120 0.086 10.440 16.108 1.00 33.41 H new ATOM 0 HD1 PHE A 120 1.896 12.437 17.351 1.00 74.33 H new ATOM 0 HD2 PHE A 120 0.032 12.416 13.520 1.00 4.20 H new ATOM 0 HE1 PHE A 120 1.971 14.892 17.302 1.00 74.22 H new ATOM 0 HE2 PHE A 120 0.108 14.870 13.467 1.00 1.54 H new ATOM 0 HZ PHE A 120 1.081 16.113 15.358 1.00 51.51 H new ATOM 1740 N GLN A 121 1.447 7.931 16.709 1.00 73.24 N ATOM 1741 CA GLN A 121 1.308 6.480 16.652 1.00 44.45 C ATOM 1742 C GLN A 121 0.022 6.084 15.935 1.00 53.21 C ATOM 1743 O GLN A 121 -0.999 6.760 16.052 1.00 14.21 O ATOM 1744 CB GLN A 121 1.323 5.890 18.062 1.00 21.44 C ATOM 1745 CG GLN A 121 2.717 5.769 18.657 1.00 70.01 C ATOM 1746 CD GLN A 121 3.372 4.438 18.344 1.00 51.24 C ATOM 1747 OE1 GLN A 121 2.701 3.476 17.970 1.00 71.40 O ATOM 1748 NE2 GLN A 121 4.690 4.377 18.494 1.00 32.41 N ATOM 0 H GLN A 121 0.973 8.370 17.499 1.00 73.24 H new ATOM 0 HA GLN A 121 2.152 6.081 16.090 1.00 44.45 H new ATOM 0 HB2 GLN A 121 0.712 6.514 18.714 1.00 21.44 H new ATOM 0 HB3 GLN A 121 0.860 4.903 18.039 1.00 21.44 H new ATOM 0 HG2 GLN A 121 3.342 6.576 18.275 1.00 70.01 H new ATOM 0 HG3 GLN A 121 2.659 5.896 19.738 1.00 70.01 H new ATOM 0 HE21 GLN A 121 5.206 5.199 18.806 1.00 32.41 H new ATOM 0 HE22 GLN A 121 5.186 3.508 18.297 1.00 32.41 H new ATOM 1757 N GLY A 122 0.079 4.983 15.192 1.00 51.13 N ATOM 1758 CA GLY A 122 -1.088 4.516 14.467 1.00 53.25 C ATOM 1759 C GLY A 122 -1.624 3.207 15.011 1.00 22.12 C ATOM 1760 O GLY A 122 -0.882 2.233 15.144 1.00 75.44 O ATOM 0 H GLY A 122 0.913 4.406 15.079 1.00 51.13 H new ATOM 0 HA2 GLY A 122 -1.870 5.274 14.517 1.00 53.25 H new ATOM 0 HA3 GLY A 122 -0.832 4.391 13.415 1.00 53.25 H new ATOM 1764 N ILE A 123 -2.914 3.184 15.329 1.00 23.32 N ATOM 1765 CA ILE A 123 -3.547 1.984 15.863 1.00 1.32 C ATOM 1766 C ILE A 123 -4.804 1.630 15.077 1.00 72.25 C ATOM 1767 O ILE A 123 -5.745 2.420 15.003 1.00 30.43 O ATOM 1768 CB ILE A 123 -3.916 2.156 17.349 1.00 43.24 C ATOM 1769 CG1 ILE A 123 -2.790 2.874 18.096 1.00 14.42 C ATOM 1770 CG2 ILE A 123 -4.202 0.803 17.983 1.00 4.43 C ATOM 1771 CD1 ILE A 123 -1.453 2.174 17.993 1.00 54.52 C ATOM 0 H ILE A 123 -3.541 3.982 15.226 1.00 23.32 H new ATOM 0 HA ILE A 123 -2.822 1.176 15.768 1.00 1.32 H new ATOM 0 HB ILE A 123 -4.818 2.765 17.417 1.00 43.24 H new ATOM 0 HG12 ILE A 123 -2.692 3.886 17.703 1.00 14.42 H new ATOM 0 HG13 ILE A 123 -3.063 2.965 19.147 1.00 14.42 H new ATOM 0 HG21 ILE A 123 -4.461 0.941 19.033 1.00 4.43 H new ATOM 0 HG22 ILE A 123 -5.033 0.326 17.463 1.00 4.43 H new ATOM 0 HG23 ILE A 123 -3.317 0.171 17.908 1.00 4.43 H new ATOM 0 HD11 ILE A 123 -0.703 2.739 18.546 1.00 54.52 H new ATOM 0 HD12 ILE A 123 -1.534 1.171 18.413 1.00 54.52 H new ATOM 0 HD13 ILE A 123 -1.157 2.106 16.946 1.00 54.52 H new ATOM 1783 N GLN A 124 -4.813 0.436 14.492 1.00 43.35 N ATOM 1784 CA GLN A 124 -5.955 -0.023 13.711 1.00 34.21 C ATOM 1785 C GLN A 124 -6.794 -1.018 14.507 1.00 25.12 C ATOM 1786 O GLN A 124 -6.322 -2.098 14.861 1.00 20.24 O ATOM 1787 CB GLN A 124 -5.483 -0.666 12.406 1.00 52.43 C ATOM 1788 CG GLN A 124 -4.362 -1.675 12.595 1.00 51.41 C ATOM 1789 CD GLN A 124 -3.969 -2.360 11.301 1.00 12.10 C ATOM 1790 OE1 GLN A 124 -4.799 -2.559 10.413 1.00 13.25 O ATOM 1791 NE2 GLN A 124 -2.698 -2.725 11.187 1.00 63.33 N ATOM 0 H GLN A 124 -4.042 -0.230 14.544 1.00 43.35 H new ATOM 0 HA GLN A 124 -6.575 0.843 13.478 1.00 34.21 H new ATOM 0 HB2 GLN A 124 -6.329 -1.160 11.928 1.00 52.43 H new ATOM 0 HB3 GLN A 124 -5.145 0.117 11.727 1.00 52.43 H new ATOM 0 HG2 GLN A 124 -3.491 -1.171 13.014 1.00 51.41 H new ATOM 0 HG3 GLN A 124 -4.674 -2.427 13.320 1.00 51.41 H new ATOM 0 HE21 GLN A 124 -2.044 -2.540 11.948 1.00 63.33 H new ATOM 0 HE22 GLN A 124 -2.375 -3.190 10.339 1.00 63.33 H new ATOM 1800 N ALA A 125 -8.039 -0.646 14.785 1.00 22.23 N ATOM 1801 CA ALA A 125 -8.943 -1.507 15.538 1.00 0.40 C ATOM 1802 C ALA A 125 -10.387 -1.313 15.088 1.00 40.11 C ATOM 1803 O ALA A 125 -10.859 -0.185 14.952 1.00 5.21 O ATOM 1804 CB ALA A 125 -8.812 -1.234 17.029 1.00 22.12 C ATOM 0 H ALA A 125 -8.445 0.245 14.500 1.00 22.23 H new ATOM 0 HA ALA A 125 -8.665 -2.543 15.344 1.00 0.40 H new ATOM 0 HB1 ALA A 125 -9.493 -1.884 17.579 1.00 22.12 H new ATOM 0 HB2 ALA A 125 -7.788 -1.430 17.346 1.00 22.12 H new ATOM 0 HB3 ALA A 125 -9.062 -0.192 17.232 1.00 22.12 H new ATOM 1810 N ASN A 126 -11.084 -2.421 14.857 1.00 2.03 N ATOM 1811 CA ASN A 126 -12.475 -2.372 14.421 1.00 65.31 C ATOM 1812 C ASN A 126 -13.422 -2.565 15.601 1.00 31.30 C ATOM 1813 O ASN A 126 -13.054 -3.159 16.615 1.00 75.32 O ATOM 1814 CB ASN A 126 -12.736 -3.445 13.362 1.00 52.13 C ATOM 1815 CG ASN A 126 -13.095 -4.786 13.973 1.00 53.42 C ATOM 1816 OD1 ASN A 126 -14.271 -5.133 14.087 1.00 22.31 O ATOM 1817 ND2 ASN A 126 -12.081 -5.546 14.369 1.00 11.43 N ATOM 0 H ASN A 126 -10.709 -3.363 14.964 1.00 2.03 H new ATOM 0 HA ASN A 126 -12.660 -1.389 13.987 1.00 65.31 H new ATOM 0 HB2 ASN A 126 -13.545 -3.118 12.709 1.00 52.13 H new ATOM 0 HB3 ASN A 126 -11.850 -3.559 12.738 1.00 52.13 H new ATOM 0 HD21 ASN A 126 -12.261 -6.459 14.788 1.00 11.43 H new ATOM 0 HD22 ASN A 126 -11.122 -5.217 14.255 1.00 11.43 H new ATOM 1824 N ASP A 127 -14.643 -2.060 15.461 1.00 24.12 N ATOM 1825 CA ASP A 127 -15.644 -2.178 16.515 1.00 53.15 C ATOM 1826 C ASP A 127 -15.205 -1.428 17.768 1.00 30.24 C ATOM 1827 O ASP A 127 -14.306 -0.589 17.719 1.00 61.50 O ATOM 1828 CB ASP A 127 -15.895 -3.650 16.847 1.00 51.32 C ATOM 1829 CG ASP A 127 -17.368 -3.959 17.028 1.00 71.43 C ATOM 1830 OD1 ASP A 127 -18.187 -3.428 16.248 1.00 3.13 O ATOM 1831 OD2 ASP A 127 -17.702 -4.734 17.948 1.00 33.12 O ATOM 0 H ASP A 127 -14.963 -1.565 14.628 1.00 24.12 H new ATOM 0 HA ASP A 127 -16.571 -1.732 16.154 1.00 53.15 H new ATOM 0 HB2 ASP A 127 -15.491 -4.273 16.049 1.00 51.32 H new ATOM 0 HB3 ASP A 127 -15.357 -3.911 17.759 1.00 51.32 H new ATOM 1836 N ALA A 128 -15.847 -1.736 18.891 1.00 44.01 N ATOM 1837 CA ALA A 128 -15.522 -1.092 20.158 1.00 64.24 C ATOM 1838 C ALA A 128 -14.029 -1.186 20.454 1.00 44.43 C ATOM 1839 O ALA A 128 -13.474 -0.350 21.167 1.00 12.23 O ATOM 1840 CB ALA A 128 -16.326 -1.716 21.288 1.00 20.14 C ATOM 0 H ALA A 128 -16.595 -2.427 18.949 1.00 44.01 H new ATOM 0 HA ALA A 128 -15.785 -0.037 20.079 1.00 64.24 H new ATOM 0 HB1 ALA A 128 -16.073 -1.226 22.228 1.00 20.14 H new ATOM 0 HB2 ALA A 128 -17.390 -1.592 21.089 1.00 20.14 H new ATOM 0 HB3 ALA A 128 -16.091 -2.778 21.358 1.00 20.14 H new ATOM 1846 N SER A 129 -13.383 -2.208 19.902 1.00 73.14 N ATOM 1847 CA SER A 129 -11.955 -2.413 20.111 1.00 62.14 C ATOM 1848 C SER A 129 -11.155 -1.213 19.613 1.00 13.33 C ATOM 1849 O SER A 129 -10.026 -0.982 20.045 1.00 75.40 O ATOM 1850 CB SER A 129 -11.490 -3.682 19.394 1.00 60.23 C ATOM 1851 OG SER A 129 -11.103 -4.680 20.323 1.00 44.24 O ATOM 0 H SER A 129 -13.826 -2.907 19.306 1.00 73.14 H new ATOM 0 HA SER A 129 -11.782 -2.524 21.181 1.00 62.14 H new ATOM 0 HB2 SER A 129 -12.293 -4.061 18.762 1.00 60.23 H new ATOM 0 HB3 SER A 129 -10.652 -3.447 18.738 1.00 60.23 H new ATOM 0 HG SER A 129 -10.812 -5.481 19.840 1.00 44.24 H new ATOM 1857 N GLY A 130 -11.750 -0.450 18.701 1.00 13.11 N ATOM 1858 CA GLY A 130 -11.080 0.718 18.159 1.00 72.30 C ATOM 1859 C GLY A 130 -11.598 2.012 18.755 1.00 64.12 C ATOM 1860 O GLY A 130 -11.421 3.085 18.176 1.00 75.21 O ATOM 0 H GLY A 130 -12.684 -0.620 18.328 1.00 13.11 H new ATOM 0 HA2 GLY A 130 -10.009 0.638 18.346 1.00 72.30 H new ATOM 0 HA3 GLY A 130 -11.214 0.741 17.077 1.00 72.30 H new ATOM 1864 N LEU A 131 -12.239 1.913 19.914 1.00 72.23 N ATOM 1865 CA LEU A 131 -12.786 3.085 20.588 1.00 0.13 C ATOM 1866 C LEU A 131 -12.418 3.083 22.069 1.00 70.44 C ATOM 1867 O LEU A 131 -13.107 3.687 22.891 1.00 44.44 O ATOM 1868 CB LEU A 131 -14.307 3.126 20.429 1.00 2.41 C ATOM 1869 CG LEU A 131 -14.841 2.879 19.018 1.00 41.32 C ATOM 1870 CD1 LEU A 131 -16.361 2.925 19.007 1.00 60.32 C ATOM 1871 CD2 LEU A 131 -14.268 3.899 18.045 1.00 50.44 C ATOM 0 H LEU A 131 -12.393 1.033 20.407 1.00 72.23 H new ATOM 0 HA LEU A 131 -12.355 3.973 20.126 1.00 0.13 H new ATOM 0 HB2 LEU A 131 -14.742 2.382 21.096 1.00 2.41 H new ATOM 0 HB3 LEU A 131 -14.661 4.101 20.764 1.00 2.41 H new ATOM 0 HG LEU A 131 -14.526 1.885 18.700 1.00 41.32 H new ATOM 0 HD11 LEU A 131 -16.723 2.747 17.994 1.00 60.32 H new ATOM 0 HD12 LEU A 131 -16.753 2.156 19.673 1.00 60.32 H new ATOM 0 HD13 LEU A 131 -16.698 3.905 19.346 1.00 60.32 H new ATOM 0 HD21 LEU A 131 -14.659 3.708 17.046 1.00 50.44 H new ATOM 0 HD22 LEU A 131 -14.553 4.903 18.360 1.00 50.44 H new ATOM 0 HD23 LEU A 131 -13.181 3.818 18.031 1.00 50.44 H new ATOM 1883 N ASP A 132 -11.328 2.400 22.401 1.00 43.35 N ATOM 1884 CA ASP A 132 -10.866 2.322 23.782 1.00 63.25 C ATOM 1885 C ASP A 132 -9.974 3.511 24.125 1.00 64.35 C ATOM 1886 O ASP A 132 -8.821 3.579 23.697 1.00 0.01 O ATOM 1887 CB ASP A 132 -10.106 1.015 24.014 1.00 34.33 C ATOM 1888 CG ASP A 132 -10.617 0.256 25.223 1.00 33.31 C ATOM 1889 OD1 ASP A 132 -10.870 0.898 26.263 1.00 13.43 O ATOM 1890 OD2 ASP A 132 -10.763 -0.981 25.129 1.00 34.24 O ATOM 0 H ASP A 132 -10.748 1.892 21.733 1.00 43.35 H new ATOM 0 HA ASP A 132 -11.739 2.347 24.434 1.00 63.25 H new ATOM 0 HB2 ASP A 132 -10.194 0.385 23.129 1.00 34.33 H new ATOM 0 HB3 ASP A 132 -9.046 1.233 24.146 1.00 34.33 H new ATOM 1895 N PHE A 133 -10.515 4.446 24.898 1.00 43.43 N ATOM 1896 CA PHE A 133 -9.769 5.634 25.297 1.00 44.15 C ATOM 1897 C PHE A 133 -8.511 5.252 26.072 1.00 72.32 C ATOM 1898 O PHE A 133 -7.440 5.816 25.853 1.00 63.31 O ATOM 1899 CB PHE A 133 -10.647 6.552 26.149 1.00 54.13 C ATOM 1900 CG PHE A 133 -11.404 7.572 25.346 1.00 21.14 C ATOM 1901 CD1 PHE A 133 -12.567 7.224 24.679 1.00 34.14 C ATOM 1902 CD2 PHE A 133 -10.951 8.879 25.259 1.00 71.53 C ATOM 1903 CE1 PHE A 133 -13.266 8.160 23.940 1.00 32.05 C ATOM 1904 CE2 PHE A 133 -11.646 9.819 24.522 1.00 62.12 C ATOM 1905 CZ PHE A 133 -12.804 9.459 23.861 1.00 71.02 C ATOM 0 H PHE A 133 -11.467 4.404 25.261 1.00 43.43 H new ATOM 0 HA PHE A 133 -9.471 6.165 24.393 1.00 44.15 H new ATOM 0 HB2 PHE A 133 -11.356 5.944 26.711 1.00 54.13 H new ATOM 0 HB3 PHE A 133 -10.021 7.067 26.878 1.00 54.13 H new ATOM 0 HD1 PHE A 133 -12.932 6.209 24.737 1.00 34.14 H new ATOM 0 HD2 PHE A 133 -10.045 9.166 25.773 1.00 71.53 H new ATOM 0 HE1 PHE A 133 -14.172 7.876 23.425 1.00 32.05 H new ATOM 0 HE2 PHE A 133 -11.284 10.835 24.463 1.00 62.12 H new ATOM 0 HZ PHE A 133 -13.347 10.192 23.283 1.00 71.02 H new ATOM 1915 N GLU A 134 -8.652 4.290 26.979 1.00 41.02 N ATOM 1916 CA GLU A 134 -7.528 3.833 27.788 1.00 42.44 C ATOM 1917 C GLU A 134 -6.388 3.337 26.903 1.00 24.24 C ATOM 1918 O GLU A 134 -5.214 3.504 27.235 1.00 74.33 O ATOM 1919 CB GLU A 134 -7.973 2.720 28.737 1.00 35.44 C ATOM 1920 CG GLU A 134 -7.740 3.041 30.204 1.00 22.31 C ATOM 1921 CD GLU A 134 -8.318 1.989 31.131 1.00 62.22 C ATOM 1922 OE1 GLU A 134 -7.982 0.798 30.960 1.00 13.24 O ATOM 1923 OE2 GLU A 134 -9.106 2.357 32.027 1.00 2.11 O ATOM 0 H GLU A 134 -9.533 3.813 27.172 1.00 41.02 H new ATOM 0 HA GLU A 134 -7.168 4.678 28.375 1.00 42.44 H new ATOM 0 HB2 GLU A 134 -9.034 2.524 28.581 1.00 35.44 H new ATOM 0 HB3 GLU A 134 -7.439 1.804 28.485 1.00 35.44 H new ATOM 0 HG2 GLU A 134 -6.669 3.132 30.386 1.00 22.31 H new ATOM 0 HG3 GLU A 134 -8.186 4.008 30.436 1.00 22.31 H new ATOM 1930 N GLU A 135 -6.743 2.725 25.778 1.00 44.45 N ATOM 1931 CA GLU A 135 -5.749 2.203 24.847 1.00 52.34 C ATOM 1932 C GLU A 135 -4.966 3.339 24.194 1.00 61.54 C ATOM 1933 O GLU A 135 -3.752 3.244 24.010 1.00 21.25 O ATOM 1934 CB GLU A 135 -6.425 1.350 23.771 1.00 44.33 C ATOM 1935 CG GLU A 135 -5.448 0.539 22.936 1.00 75.24 C ATOM 1936 CD GLU A 135 -5.060 -0.768 23.599 1.00 63.33 C ATOM 1937 OE1 GLU A 135 -5.317 -0.917 24.812 1.00 44.31 O ATOM 1938 OE2 GLU A 135 -4.499 -1.642 22.905 1.00 24.13 O ATOM 0 H GLU A 135 -7.710 2.578 25.489 1.00 44.45 H new ATOM 0 HA GLU A 135 -5.052 1.581 25.409 1.00 52.34 H new ATOM 0 HB2 GLU A 135 -7.133 0.672 24.248 1.00 44.33 H new ATOM 0 HB3 GLU A 135 -7.001 2.000 23.112 1.00 44.33 H new ATOM 0 HG2 GLU A 135 -5.893 0.331 21.963 1.00 75.24 H new ATOM 0 HG3 GLU A 135 -4.551 1.131 22.756 1.00 75.24 H new ATOM 1945 N ILE A 136 -5.669 4.410 23.844 1.00 13.34 N ATOM 1946 CA ILE A 136 -5.040 5.564 23.213 1.00 75.55 C ATOM 1947 C ILE A 136 -4.095 6.271 24.177 1.00 2.20 C ATOM 1948 O ILE A 136 -2.960 6.594 23.825 1.00 14.42 O ATOM 1949 CB ILE A 136 -6.090 6.571 22.708 1.00 13.45 C ATOM 1950 CG1 ILE A 136 -7.019 5.907 21.690 1.00 41.22 C ATOM 1951 CG2 ILE A 136 -5.408 7.786 22.098 1.00 42.31 C ATOM 1952 CD1 ILE A 136 -8.271 6.706 21.403 1.00 33.32 C ATOM 0 H ILE A 136 -6.675 4.503 23.987 1.00 13.34 H new ATOM 0 HA ILE A 136 -4.471 5.188 22.363 1.00 75.55 H new ATOM 0 HB ILE A 136 -6.690 6.903 23.555 1.00 13.45 H new ATOM 0 HG12 ILE A 136 -6.474 5.754 20.759 1.00 41.22 H new ATOM 0 HG13 ILE A 136 -7.303 4.921 22.059 1.00 41.22 H new ATOM 0 HG21 ILE A 136 -6.163 8.489 21.746 1.00 42.31 H new ATOM 0 HG22 ILE A 136 -4.785 8.270 22.851 1.00 42.31 H new ATOM 0 HG23 ILE A 136 -4.786 7.472 21.260 1.00 42.31 H new ATOM 0 HD11 ILE A 136 -8.882 6.175 20.673 1.00 33.32 H new ATOM 0 HD12 ILE A 136 -8.838 6.837 22.324 1.00 33.32 H new ATOM 0 HD13 ILE A 136 -7.996 7.683 21.004 1.00 33.32 H new ATOM 1964 N SER A 137 -4.569 6.507 25.396 1.00 54.40 N ATOM 1965 CA SER A 137 -3.767 7.179 26.412 1.00 60.42 C ATOM 1966 C SER A 137 -2.537 6.349 26.768 1.00 10.22 C ATOM 1967 O SER A 137 -1.451 6.889 26.981 1.00 33.03 O ATOM 1968 CB SER A 137 -4.604 7.435 27.666 1.00 33.23 C ATOM 1969 OG SER A 137 -5.277 8.679 27.585 1.00 11.31 O ATOM 0 H SER A 137 -5.505 6.243 25.704 1.00 54.40 H new ATOM 0 HA SER A 137 -3.435 8.134 26.005 1.00 60.42 H new ATOM 0 HB2 SER A 137 -5.331 6.632 27.792 1.00 33.23 H new ATOM 0 HB3 SER A 137 -3.960 7.423 28.545 1.00 33.23 H new ATOM 0 HG SER A 137 -5.806 8.818 28.398 1.00 11.31 H new ATOM 1975 N ARG A 138 -2.716 5.034 26.831 1.00 71.21 N ATOM 1976 CA ARG A 138 -1.622 4.129 27.163 1.00 73.25 C ATOM 1977 C ARG A 138 -0.591 4.087 26.038 1.00 13.24 C ATOM 1978 O ARG A 138 0.612 4.010 26.287 1.00 1.42 O ATOM 1979 CB ARG A 138 -2.159 2.721 27.429 1.00 54.34 C ATOM 1980 CG ARG A 138 -1.217 1.854 28.247 1.00 2.42 C ATOM 1981 CD ARG A 138 -0.262 1.075 27.357 1.00 71.14 C ATOM 1982 NE ARG A 138 -0.012 -0.270 27.868 1.00 62.24 N ATOM 1983 CZ ARG A 138 0.831 -0.534 28.860 1.00 60.43 C ATOM 1984 NH1 ARG A 138 1.501 0.449 29.445 1.00 73.03 N ATOM 1985 NH2 ARG A 138 1.005 -1.785 29.269 1.00 50.32 N ATOM 0 H ARG A 138 -3.608 4.571 26.657 1.00 71.21 H new ATOM 0 HA ARG A 138 -1.136 4.502 28.065 1.00 73.25 H new ATOM 0 HB2 ARG A 138 -3.113 2.798 27.950 1.00 54.34 H new ATOM 0 HB3 ARG A 138 -2.355 2.230 26.476 1.00 54.34 H new ATOM 0 HG2 ARG A 138 -0.647 2.481 28.933 1.00 2.42 H new ATOM 0 HG3 ARG A 138 -1.796 1.160 28.856 1.00 2.42 H new ATOM 0 HD2 ARG A 138 -0.676 1.009 26.351 1.00 71.14 H new ATOM 0 HD3 ARG A 138 0.682 1.614 27.279 1.00 71.14 H new ATOM 0 HE ARG A 138 -0.512 -1.049 27.440 1.00 62.24 H new ATOM 0 HH11 ARG A 138 1.370 1.411 29.134 1.00 73.03 H new ATOM 0 HH12 ARG A 138 2.148 0.243 30.206 1.00 73.03 H new ATOM 0 HH21 ARG A 138 0.491 -2.544 28.821 1.00 50.32 H new ATOM 0 HH22 ARG A 138 1.652 -1.987 30.031 1.00 50.32 H new ATOM 1999 N LYS A 139 -1.071 4.138 24.800 1.00 31.14 N ATOM 2000 CA LYS A 139 -0.193 4.107 23.637 1.00 63.20 C ATOM 2001 C LYS A 139 0.672 5.362 23.575 1.00 63.43 C ATOM 2002 O LYS A 139 1.887 5.282 23.389 1.00 32.03 O ATOM 2003 CB LYS A 139 -1.016 3.978 22.354 1.00 54.24 C ATOM 2004 CG LYS A 139 -0.890 2.621 21.683 1.00 14.05 C ATOM 2005 CD LYS A 139 -1.274 1.495 22.628 1.00 32.34 C ATOM 2006 CE LYS A 139 -1.448 0.179 21.886 1.00 74.14 C ATOM 2007 NZ LYS A 139 -0.212 -0.651 21.929 1.00 14.44 N ATOM 0 H LYS A 139 -2.064 4.201 24.577 1.00 31.14 H new ATOM 0 HA LYS A 139 0.461 3.240 23.730 1.00 63.20 H new ATOM 0 HB2 LYS A 139 -2.065 4.163 22.585 1.00 54.24 H new ATOM 0 HB3 LYS A 139 -0.703 4.751 21.652 1.00 54.24 H new ATOM 0 HG2 LYS A 139 -1.528 2.590 20.800 1.00 14.05 H new ATOM 0 HG3 LYS A 139 0.135 2.477 21.341 1.00 14.05 H new ATOM 0 HD2 LYS A 139 -0.506 1.383 23.394 1.00 32.34 H new ATOM 0 HD3 LYS A 139 -2.201 1.750 23.141 1.00 32.34 H new ATOM 0 HE2 LYS A 139 -2.275 -0.379 22.325 1.00 74.14 H new ATOM 0 HE3 LYS A 139 -1.714 0.380 20.848 1.00 74.14 H new ATOM 0 HZ1 LYS A 139 -0.372 -1.539 21.412 1.00 14.44 H new ATOM 0 HZ2 LYS A 139 0.572 -0.130 21.487 1.00 14.44 H new ATOM 0 HZ3 LYS A 139 0.028 -0.865 22.918 1.00 14.44 H new ATOM 2021 N VAL A 140 0.039 6.520 23.732 1.00 23.23 N ATOM 2022 CA VAL A 140 0.752 7.791 23.697 1.00 53.53 C ATOM 2023 C VAL A 140 1.675 7.938 24.901 1.00 51.20 C ATOM 2024 O VAL A 140 2.779 8.471 24.790 1.00 42.12 O ATOM 2025 CB VAL A 140 -0.226 8.982 23.665 1.00 64.42 C ATOM 2026 CG1 VAL A 140 -1.126 8.966 24.891 1.00 41.43 C ATOM 2027 CG2 VAL A 140 0.537 10.294 23.569 1.00 1.34 C ATOM 0 H VAL A 140 -0.966 6.604 23.885 1.00 23.23 H new ATOM 0 HA VAL A 140 1.348 7.794 22.784 1.00 53.53 H new ATOM 0 HB VAL A 140 -0.856 8.890 22.781 1.00 64.42 H new ATOM 0 HG11 VAL A 140 -1.810 9.814 24.851 1.00 41.43 H new ATOM 0 HG12 VAL A 140 -1.699 8.039 24.910 1.00 41.43 H new ATOM 0 HG13 VAL A 140 -0.515 9.034 25.791 1.00 41.43 H new ATOM 0 HG21 VAL A 140 -0.169 11.125 23.547 1.00 1.34 H new ATOM 0 HG22 VAL A 140 1.193 10.397 24.433 1.00 1.34 H new ATOM 0 HG23 VAL A 140 1.134 10.302 22.657 1.00 1.34 H new ATOM 2037 N LYS A 141 1.216 7.461 26.053 1.00 14.40 N ATOM 2038 CA LYS A 141 2.000 7.537 27.280 1.00 72.11 C ATOM 2039 C LYS A 141 3.200 6.597 27.217 1.00 12.33 C ATOM 2040 O LYS A 141 4.269 6.905 27.744 1.00 41.03 O ATOM 2041 CB LYS A 141 1.128 7.189 28.489 1.00 65.32 C ATOM 2042 CG LYS A 141 1.892 7.162 29.802 1.00 50.44 C ATOM 2043 CD LYS A 141 1.011 6.701 30.950 1.00 15.42 C ATOM 2044 CE LYS A 141 1.825 6.440 32.208 1.00 62.13 C ATOM 2045 NZ LYS A 141 1.176 5.430 33.089 1.00 2.00 N ATOM 0 H LYS A 141 0.304 7.017 26.163 1.00 14.40 H new ATOM 0 HA LYS A 141 2.366 8.558 27.386 1.00 72.11 H new ATOM 0 HB2 LYS A 141 0.319 7.915 28.564 1.00 65.32 H new ATOM 0 HB3 LYS A 141 0.668 6.215 28.326 1.00 65.32 H new ATOM 0 HG2 LYS A 141 2.750 6.496 29.711 1.00 50.44 H new ATOM 0 HG3 LYS A 141 2.282 8.157 30.018 1.00 50.44 H new ATOM 0 HD2 LYS A 141 0.254 7.458 31.156 1.00 15.42 H new ATOM 0 HD3 LYS A 141 0.483 5.792 30.662 1.00 15.42 H new ATOM 0 HE2 LYS A 141 2.821 6.094 31.931 1.00 62.13 H new ATOM 0 HE3 LYS A 141 1.953 7.373 32.758 1.00 62.13 H new ATOM 0 HZ1 LYS A 141 1.762 5.280 33.935 1.00 2.00 H new ATOM 0 HZ2 LYS A 141 0.236 5.771 33.374 1.00 2.00 H new ATOM 0 HZ3 LYS A 141 1.077 4.532 32.573 1.00 2.00 H new ATOM 2059 N SER A 142 3.015 5.452 26.569 1.00 24.54 N ATOM 2060 CA SER A 142 4.082 4.466 26.440 1.00 5.11 C ATOM 2061 C SER A 142 5.184 4.976 25.516 1.00 1.41 C ATOM 2062 O SER A 142 6.368 4.740 25.754 1.00 13.43 O ATOM 2063 CB SER A 142 3.524 3.146 25.906 1.00 62.30 C ATOM 2064 OG SER A 142 2.872 2.416 26.931 1.00 64.21 O ATOM 0 H SER A 142 2.137 5.184 26.125 1.00 24.54 H new ATOM 0 HA SER A 142 4.509 4.298 27.429 1.00 5.11 H new ATOM 0 HB2 SER A 142 2.823 3.345 25.095 1.00 62.30 H new ATOM 0 HB3 SER A 142 4.334 2.548 25.488 1.00 62.30 H new ATOM 0 HG SER A 142 2.807 1.473 26.671 1.00 64.21 H new ATOM 2070 N ASN A 143 4.784 5.678 24.460 1.00 24.51 N ATOM 2071 CA ASN A 143 5.737 6.221 23.499 1.00 53.52 C ATOM 2072 C ASN A 143 6.659 5.128 22.969 1.00 62.14 C ATOM 2073 O ASN A 143 7.832 5.374 22.686 1.00 30.15 O ATOM 2074 CB ASN A 143 6.565 7.334 24.144 1.00 40.51 C ATOM 2075 CG ASN A 143 7.129 8.302 23.121 1.00 1.05 C ATOM 2076 OD1 ASN A 143 6.875 8.175 21.924 1.00 71.23 O ATOM 2077 ND2 ASN A 143 7.900 9.276 23.591 1.00 10.02 N ATOM 0 H ASN A 143 3.808 5.884 24.249 1.00 24.51 H new ATOM 0 HA ASN A 143 5.175 6.634 22.662 1.00 53.52 H new ATOM 0 HB2 ASN A 143 5.944 7.881 24.854 1.00 40.51 H new ATOM 0 HB3 ASN A 143 7.384 6.892 24.712 1.00 40.51 H new ATOM 0 HD21 ASN A 143 8.308 9.957 22.951 1.00 10.02 H new ATOM 0 HD22 ASN A 143 8.084 9.343 24.592 1.00 10.02 H new ATOM 2084 N ARG A 144 6.121 3.920 22.835 1.00 14.34 N ATOM 2085 CA ARG A 144 6.895 2.789 22.340 1.00 71.22 C ATOM 2086 C ARG A 144 6.031 1.876 21.475 1.00 71.13 C ATOM 2087 O ARG A 144 5.797 2.157 20.299 1.00 1.42 O ATOM 2088 CB ARG A 144 7.483 1.995 23.508 1.00 43.31 C ATOM 2089 CG ARG A 144 8.971 1.715 23.366 1.00 15.43 C ATOM 2090 CD ARG A 144 9.236 0.614 22.352 1.00 30.33 C ATOM 2091 NE ARG A 144 9.833 1.132 21.125 1.00 44.14 N ATOM 2092 CZ ARG A 144 10.373 0.361 20.187 1.00 31.12 C ATOM 2093 NH1 ARG A 144 10.389 -0.956 20.336 1.00 24.45 N ATOM 2094 NH2 ARG A 144 10.897 0.907 19.097 1.00 11.24 N ATOM 0 H ARG A 144 5.151 3.700 23.063 1.00 14.34 H new ATOM 0 HA ARG A 144 7.709 3.178 21.728 1.00 71.22 H new ATOM 0 HB2 ARG A 144 7.312 2.545 24.433 1.00 43.31 H new ATOM 0 HB3 ARG A 144 6.951 1.048 23.597 1.00 43.31 H new ATOM 0 HG2 ARG A 144 9.486 2.625 23.059 1.00 15.43 H new ATOM 0 HG3 ARG A 144 9.382 1.427 24.333 1.00 15.43 H new ATOM 0 HD2 ARG A 144 9.899 -0.131 22.791 1.00 30.33 H new ATOM 0 HD3 ARG A 144 8.301 0.108 22.114 1.00 30.33 H new ATOM 0 HE ARG A 144 9.836 2.142 20.979 1.00 44.14 H new ATOM 0 HH11 ARG A 144 9.986 -1.380 21.172 1.00 24.45 H new ATOM 0 HH12 ARG A 144 10.804 -1.546 19.615 1.00 24.45 H new ATOM 0 HH21 ARG A 144 10.886 1.920 18.978 1.00 11.24 H new ATOM 0 HH22 ARG A 144 11.311 0.314 18.378 1.00 11.24 H new