USER MOD reduce.3.24.130724 H: found=0, std=0, add=454, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 454 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 40 GLN : amide:sc= -0.199 X(o=-0.26,f=-0.14) USER MOD Set 1.2: A 43 ASN : amide:sc= -0.0586 K(o=-0.26,f=-1.5!) USER MOD Set 2.1: A 23 ASN : amide:sc= -1.09 K(o=-21,f=-22!) USER MOD Set 2.2: A 26 GLN : amide:sc= -13.3! C(o=-21!,f=-15!) USER MOD Set 2.3: A 55 GLN : amide:sc= -6.92! C(o=-21!,f=-19!) USER MOD Set 3.1: A 21 ASN : amide:sc= -2.66 K(o=-5.7,f=-2.6) USER MOD Set 3.2: A 52 ASN : amide:sc= -3.08 K(o=-5.7,f=-11!) USER MOD Set 4.1: A 4 LYS NZ :NH3+ -114:sc= -0.54 (180deg=-2.27!) USER MOD Set 4.2: A 6 ASN : amide:sc= -0.353 X(o=-0.89,f=-0.88) USER MOD Single : A 1 VAL N :NH3+ -169:sc= 0.0452 (180deg=-0.161) USER MOD Single : A 3 ASN : amide:sc= -0.0836 X(o=-0.084,f=-0.062) USER MOD Single : A 7 LYS NZ :NH3+ -108:sc= -1.54 (180deg=-3.94!) USER MOD Single : A 13 THR OG1 : rot 60:sc= 0.304 USER MOD Single : A 18 ASN : amide:sc= -1.89 K(o=-1.9,f=-0.45) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 170:sc=-0.00232 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= -0.0689 USER MOD Single : A 49 LYS NZ :NH3+ 154:sc= -4.86! (180deg=-6.87!) USER MOD Single : A 50 LYS NZ :NH3+ -117:sc= 0.804 (180deg=-0.0203) USER MOD Single : A 58 LYS NZ :NH3+ -127:sc= -0.65 (180deg=-2.63!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 12.220 -9.745 1.839 1.00 0.00 N ATOM 2 CA VAL A 1 13.603 -9.927 1.315 1.00 0.00 C ATOM 3 C VAL A 1 14.338 -10.920 2.210 1.00 0.00 C ATOM 4 O VAL A 1 14.847 -11.937 1.739 1.00 0.00 O ATOM 5 CB VAL A 1 14.335 -8.572 1.309 1.00 0.00 C ATOM 6 CG1 VAL A 1 15.707 -8.721 0.636 1.00 0.00 C ATOM 7 CG2 VAL A 1 13.502 -7.531 0.543 1.00 0.00 C ATOM 0 H1 VAL A 1 11.651 -9.222 1.143 1.00 0.00 H new ATOM 0 H2 VAL A 1 11.788 -10.676 2.010 1.00 0.00 H new ATOM 0 H3 VAL A 1 12.254 -9.210 2.730 1.00 0.00 H new ATOM 0 HA VAL A 1 13.571 -10.310 0.295 1.00 0.00 H new ATOM 0 HB VAL A 1 14.471 -8.241 2.339 1.00 0.00 H new ATOM 0 HG11 VAL A 1 16.219 -7.758 0.636 1.00 0.00 H new ATOM 0 HG12 VAL A 1 16.304 -9.449 1.185 1.00 0.00 H new ATOM 0 HG13 VAL A 1 15.574 -9.061 -0.391 1.00 0.00 H new ATOM 0 HG21 VAL A 1 14.026 -6.575 0.543 1.00 0.00 H new ATOM 0 HG22 VAL A 1 13.357 -7.866 -0.484 1.00 0.00 H new ATOM 0 HG23 VAL A 1 12.532 -7.413 1.027 1.00 0.00 H new ATOM 19 N ASP A 2 14.379 -10.610 3.506 1.00 0.00 N ATOM 20 CA ASP A 2 15.043 -11.467 4.485 1.00 0.00 C ATOM 21 C ASP A 2 14.116 -12.614 4.889 1.00 0.00 C ATOM 22 O ASP A 2 13.052 -12.800 4.290 1.00 0.00 O ATOM 23 CB ASP A 2 15.423 -10.641 5.727 1.00 0.00 C ATOM 24 CG ASP A 2 16.340 -9.463 5.362 1.00 0.00 C ATOM 25 OD1 ASP A 2 16.895 -9.458 4.271 1.00 0.00 O ATOM 26 OD2 ASP A 2 16.470 -8.573 6.186 1.00 0.00 O ATOM 0 H ASP A 2 13.959 -9.769 3.902 1.00 0.00 H new ATOM 0 HA ASP A 2 15.947 -11.882 4.040 1.00 0.00 H new ATOM 0 HB2 ASP A 2 14.519 -10.265 6.205 1.00 0.00 H new ATOM 0 HB3 ASP A 2 15.924 -11.282 6.452 1.00 0.00 H new ATOM 31 N ASN A 3 14.524 -13.372 5.909 1.00 0.00 N ATOM 32 CA ASN A 3 13.726 -14.498 6.398 1.00 0.00 C ATOM 33 C ASN A 3 12.309 -14.048 6.740 1.00 0.00 C ATOM 34 O ASN A 3 11.355 -14.821 6.628 1.00 0.00 O ATOM 35 CB ASN A 3 14.388 -15.111 7.639 1.00 0.00 C ATOM 36 CG ASN A 3 15.792 -15.608 7.299 1.00 0.00 C ATOM 37 OD1 ASN A 3 16.761 -15.227 7.954 1.00 0.00 O ATOM 38 ND2 ASN A 3 15.959 -16.442 6.310 1.00 0.00 N ATOM 0 H ASN A 3 15.400 -13.227 6.411 1.00 0.00 H new ATOM 0 HA ASN A 3 13.672 -15.248 5.609 1.00 0.00 H new ATOM 0 HB2 ASN A 3 14.440 -14.369 8.436 1.00 0.00 H new ATOM 0 HB3 ASN A 3 13.783 -15.937 8.012 1.00 0.00 H new ATOM 0 HD21 ASN A 3 16.894 -16.779 6.079 1.00 0.00 H new ATOM 0 HD22 ASN A 3 15.155 -16.757 5.767 1.00 0.00 H new ATOM 45 N LYS A 4 12.190 -12.788 7.145 1.00 0.00 N ATOM 46 CA LYS A 4 10.895 -12.211 7.498 1.00 0.00 C ATOM 47 C LYS A 4 10.236 -11.586 6.270 1.00 0.00 C ATOM 48 O LYS A 4 10.832 -10.743 5.593 1.00 0.00 O ATOM 49 CB LYS A 4 11.068 -11.137 8.579 1.00 0.00 C ATOM 50 CG LYS A 4 11.649 -11.765 9.854 1.00 0.00 C ATOM 51 CD LYS A 4 11.547 -10.774 11.026 1.00 0.00 C ATOM 52 CE LYS A 4 12.427 -9.542 10.762 1.00 0.00 C ATOM 53 NZ LYS A 4 11.642 -8.517 10.013 1.00 0.00 N ATOM 0 H LYS A 4 12.976 -12.144 7.238 1.00 0.00 H new ATOM 0 HA LYS A 4 10.260 -13.011 7.879 1.00 0.00 H new ATOM 0 HB2 LYS A 4 11.729 -10.349 8.218 1.00 0.00 H new ATOM 0 HB3 LYS A 4 10.107 -10.672 8.798 1.00 0.00 H new ATOM 0 HG2 LYS A 4 11.111 -12.682 10.095 1.00 0.00 H new ATOM 0 HG3 LYS A 4 12.691 -12.041 9.691 1.00 0.00 H new ATOM 0 HD2 LYS A 4 10.510 -10.466 11.162 1.00 0.00 H new ATOM 0 HD3 LYS A 4 11.859 -11.260 11.950 1.00 0.00 H new ATOM 0 HE2 LYS A 4 12.780 -9.126 11.706 1.00 0.00 H new ATOM 0 HE3 LYS A 4 13.309 -9.829 10.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 12.047 -8.396 9.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 10.653 -8.829 9.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 11.678 -7.611 10.523 1.00 0.00 H new ATOM 67 N PHE A 5 8.998 -11.998 6.005 1.00 0.00 N ATOM 68 CA PHE A 5 8.234 -11.479 4.870 1.00 0.00 C ATOM 69 C PHE A 5 7.691 -10.082 5.187 1.00 0.00 C ATOM 70 O PHE A 5 7.181 -9.388 4.309 1.00 0.00 O ATOM 71 CB PHE A 5 7.069 -12.434 4.554 1.00 0.00 C ATOM 72 CG PHE A 5 6.040 -12.384 5.670 1.00 0.00 C ATOM 73 CD1 PHE A 5 6.228 -13.134 6.839 1.00 0.00 C ATOM 74 CD2 PHE A 5 4.904 -11.576 5.535 1.00 0.00 C ATOM 75 CE1 PHE A 5 5.281 -13.075 7.868 1.00 0.00 C ATOM 76 CE2 PHE A 5 3.957 -11.519 6.563 1.00 0.00 C ATOM 77 CZ PHE A 5 4.146 -12.268 7.730 1.00 0.00 C ATOM 0 H PHE A 5 8.500 -12.692 6.562 1.00 0.00 H new ATOM 0 HA PHE A 5 8.891 -11.408 4.003 1.00 0.00 H new ATOM 0 HB2 PHE A 5 6.605 -12.155 3.608 1.00 0.00 H new ATOM 0 HB3 PHE A 5 7.443 -13.451 4.438 1.00 0.00 H new ATOM 0 HD1 PHE A 5 7.103 -13.757 6.946 1.00 0.00 H new ATOM 0 HD2 PHE A 5 4.759 -10.996 4.636 1.00 0.00 H new ATOM 0 HE1 PHE A 5 5.426 -13.653 8.769 1.00 0.00 H new ATOM 0 HE2 PHE A 5 3.080 -10.897 6.456 1.00 0.00 H new ATOM 0 HZ PHE A 5 3.416 -12.223 8.524 1.00 0.00 H new ATOM 87 N ASN A 6 7.795 -9.702 6.460 1.00 0.00 N ATOM 88 CA ASN A 6 7.307 -8.408 6.942 1.00 0.00 C ATOM 89 C ASN A 6 7.887 -7.241 6.141 1.00 0.00 C ATOM 90 O ASN A 6 7.245 -6.198 6.001 1.00 0.00 O ATOM 91 CB ASN A 6 7.677 -8.237 8.417 1.00 0.00 C ATOM 92 CG ASN A 6 7.183 -9.433 9.232 1.00 0.00 C ATOM 93 OD1 ASN A 6 7.914 -9.953 10.074 1.00 0.00 O ATOM 94 ND2 ASN A 6 5.983 -9.906 9.027 1.00 0.00 N ATOM 0 H ASN A 6 8.219 -10.280 7.186 1.00 0.00 H new ATOM 0 HA ASN A 6 6.224 -8.398 6.816 1.00 0.00 H new ATOM 0 HB2 ASN A 6 8.758 -8.141 8.519 1.00 0.00 H new ATOM 0 HB3 ASN A 6 7.237 -7.318 8.805 1.00 0.00 H new ATOM 0 HD21 ASN A 6 5.652 -10.707 9.565 1.00 0.00 H new ATOM 0 HD22 ASN A 6 5.377 -9.475 8.329 1.00 0.00 H new ATOM 101 N LYS A 7 9.106 -7.418 5.632 1.00 0.00 N ATOM 102 CA LYS A 7 9.773 -6.368 4.857 1.00 0.00 C ATOM 103 C LYS A 7 8.929 -5.945 3.659 1.00 0.00 C ATOM 104 O LYS A 7 8.917 -4.775 3.277 1.00 0.00 O ATOM 105 CB LYS A 7 11.141 -6.862 4.374 1.00 0.00 C ATOM 106 CG LYS A 7 12.053 -7.125 5.581 1.00 0.00 C ATOM 107 CD LYS A 7 13.443 -7.563 5.100 1.00 0.00 C ATOM 108 CE LYS A 7 14.291 -6.334 4.741 1.00 0.00 C ATOM 109 NZ LYS A 7 15.565 -6.777 4.105 1.00 0.00 N ATOM 0 H LYS A 7 9.651 -8.273 5.741 1.00 0.00 H new ATOM 0 HA LYS A 7 9.905 -5.503 5.507 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.023 -7.775 3.790 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.595 -6.120 3.718 1.00 0.00 H new ATOM 0 HG2 LYS A 7 12.136 -6.224 6.188 1.00 0.00 H new ATOM 0 HG3 LYS A 7 11.618 -7.898 6.215 1.00 0.00 H new ATOM 0 HD2 LYS A 7 13.940 -8.142 5.879 1.00 0.00 H new ATOM 0 HD3 LYS A 7 13.347 -8.214 4.231 1.00 0.00 H new ATOM 0 HE2 LYS A 7 13.740 -5.684 4.061 1.00 0.00 H new ATOM 0 HE3 LYS A 7 14.503 -5.751 5.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 16.354 -6.627 4.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 15.501 -7.787 3.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 15.730 -6.227 3.238 1.00 0.00 H new ATOM 123 N GLU A 8 8.231 -6.913 3.086 1.00 0.00 N ATOM 124 CA GLU A 8 7.372 -6.671 1.925 1.00 0.00 C ATOM 125 C GLU A 8 6.201 -5.777 2.297 1.00 0.00 C ATOM 126 O GLU A 8 5.737 -4.966 1.494 1.00 0.00 O ATOM 127 CB GLU A 8 6.853 -8.004 1.369 1.00 0.00 C ATOM 128 CG GLU A 8 7.970 -8.736 0.607 1.00 0.00 C ATOM 129 CD GLU A 8 9.260 -8.792 1.431 1.00 0.00 C ATOM 130 OE1 GLU A 8 9.326 -9.595 2.347 1.00 0.00 O ATOM 131 OE2 GLU A 8 10.160 -8.020 1.140 1.00 0.00 O ATOM 0 H GLU A 8 8.239 -7.882 3.405 1.00 0.00 H new ATOM 0 HA GLU A 8 7.963 -6.167 1.161 1.00 0.00 H new ATOM 0 HB2 GLU A 8 6.490 -8.629 2.185 1.00 0.00 H new ATOM 0 HB3 GLU A 8 6.008 -7.824 0.705 1.00 0.00 H new ATOM 0 HG2 GLU A 8 7.646 -9.748 0.366 1.00 0.00 H new ATOM 0 HG3 GLU A 8 8.161 -8.229 -0.338 1.00 0.00 H new ATOM 138 N LEU A 9 5.735 -5.934 3.522 1.00 0.00 N ATOM 139 CA LEU A 9 4.618 -5.136 4.015 1.00 0.00 C ATOM 140 C LEU A 9 5.058 -3.700 4.220 1.00 0.00 C ATOM 141 O LEU A 9 4.293 -2.774 3.963 1.00 0.00 O ATOM 142 CB LEU A 9 4.076 -5.692 5.341 1.00 0.00 C ATOM 143 CG LEU A 9 3.356 -7.027 5.108 1.00 0.00 C ATOM 144 CD1 LEU A 9 4.367 -8.093 4.675 1.00 0.00 C ATOM 145 CD2 LEU A 9 2.672 -7.469 6.407 1.00 0.00 C ATOM 0 H LEU A 9 6.108 -6.603 4.195 1.00 0.00 H new ATOM 0 HA LEU A 9 3.824 -5.179 3.270 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.896 -5.832 6.046 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.389 -4.975 5.790 1.00 0.00 H new ATOM 0 HG LEU A 9 2.609 -6.902 4.324 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.851 -9.039 4.511 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.853 -7.780 3.751 1.00 0.00 H new ATOM 0 HD13 LEU A 9 5.118 -8.220 5.455 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.160 -8.417 6.244 1.00 0.00 H new ATOM 0 HD22 LEU A 9 3.421 -7.591 7.189 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.948 -6.713 6.712 1.00 0.00 H new ATOM 157 N GLY A 10 6.311 -3.524 4.644 1.00 0.00 N ATOM 158 CA GLY A 10 6.855 -2.196 4.844 1.00 0.00 C ATOM 159 C GLY A 10 7.150 -1.604 3.491 1.00 0.00 C ATOM 160 O GLY A 10 7.090 -0.389 3.295 1.00 0.00 O ATOM 0 H GLY A 10 6.958 -4.285 4.852 1.00 0.00 H new ATOM 0 HA2 GLY A 10 6.145 -1.571 5.386 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.763 -2.243 5.445 1.00 0.00 H new ATOM 164 N TRP A 11 7.463 -2.503 2.559 1.00 0.00 N ATOM 165 CA TRP A 11 7.774 -2.123 1.209 1.00 0.00 C ATOM 166 C TRP A 11 6.595 -1.415 0.565 1.00 0.00 C ATOM 167 O TRP A 11 6.727 -0.307 0.051 1.00 0.00 O ATOM 168 CB TRP A 11 8.115 -3.372 0.402 1.00 0.00 C ATOM 169 CG TRP A 11 8.809 -2.949 -0.829 1.00 0.00 C ATOM 170 CD1 TRP A 11 10.048 -2.454 -0.854 1.00 0.00 C ATOM 171 CD2 TRP A 11 8.328 -2.960 -2.196 1.00 0.00 C ATOM 172 NE1 TRP A 11 10.374 -2.138 -2.162 1.00 0.00 N ATOM 173 CE2 TRP A 11 9.342 -2.447 -3.029 1.00 0.00 C ATOM 174 CE3 TRP A 11 7.119 -3.366 -2.782 1.00 0.00 C ATOM 175 CZ2 TRP A 11 9.168 -2.338 -4.408 1.00 0.00 C ATOM 176 CZ3 TRP A 11 6.936 -3.259 -4.170 1.00 0.00 C ATOM 177 CH2 TRP A 11 7.959 -2.747 -4.982 1.00 0.00 C ATOM 0 H TRP A 11 7.504 -3.507 2.731 1.00 0.00 H new ATOM 0 HA TRP A 11 8.624 -1.441 1.224 1.00 0.00 H new ATOM 0 HB2 TRP A 11 8.748 -4.040 0.985 1.00 0.00 H new ATOM 0 HB3 TRP A 11 7.209 -3.925 0.157 1.00 0.00 H new ATOM 0 HD1 TRP A 11 10.690 -2.322 0.004 1.00 0.00 H new ATOM 0 HE1 TRP A 11 11.263 -1.729 -2.450 1.00 0.00 H new ATOM 0 HE3 TRP A 11 6.327 -3.762 -2.163 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 9.959 -1.942 -5.027 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 6.003 -3.572 -4.615 1.00 0.00 H new ATOM 0 HH2 TRP A 11 7.814 -2.669 -6.049 1.00 0.00 H new ATOM 188 N ALA A 12 5.435 -2.057 0.614 1.00 0.00 N ATOM 189 CA ALA A 12 4.240 -1.464 0.044 1.00 0.00 C ATOM 190 C ALA A 12 3.785 -0.262 0.857 1.00 0.00 C ATOM 191 O ALA A 12 3.201 0.669 0.321 1.00 0.00 O ATOM 192 CB ALA A 12 3.113 -2.480 -0.049 1.00 0.00 C ATOM 0 H ALA A 12 5.300 -2.975 1.037 1.00 0.00 H new ATOM 0 HA ALA A 12 4.492 -1.131 -0.963 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.231 -2.006 -0.480 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.424 -3.311 -0.682 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.875 -2.852 0.948 1.00 0.00 H new ATOM 198 N THR A 13 4.036 -0.292 2.162 1.00 0.00 N ATOM 199 CA THR A 13 3.605 0.800 3.025 1.00 0.00 C ATOM 200 C THR A 13 4.225 2.091 2.560 1.00 0.00 C ATOM 201 O THR A 13 3.524 3.084 2.397 1.00 0.00 O ATOM 202 CB THR A 13 4.003 0.533 4.491 1.00 0.00 C ATOM 203 OG1 THR A 13 3.349 -0.636 4.960 1.00 0.00 O ATOM 204 CG2 THR A 13 3.615 1.728 5.378 1.00 0.00 C ATOM 0 H THR A 13 4.528 -1.048 2.639 1.00 0.00 H new ATOM 0 HA THR A 13 2.519 0.873 2.969 1.00 0.00 H new ATOM 0 HB THR A 13 5.083 0.392 4.539 1.00 0.00 H new ATOM 0 HG1 THR A 13 3.614 -1.402 4.409 1.00 0.00 H new ATOM 0 HG21 THR A 13 3.902 1.524 6.409 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.129 2.623 5.028 1.00 0.00 H new ATOM 0 HG23 THR A 13 2.538 1.885 5.326 1.00 0.00 H new ATOM 212 N TRP A 14 5.528 2.059 2.326 1.00 0.00 N ATOM 213 CA TRP A 14 6.229 3.235 1.861 1.00 0.00 C ATOM 214 C TRP A 14 5.832 3.559 0.407 1.00 0.00 C ATOM 215 O TRP A 14 5.679 4.729 0.062 1.00 0.00 O ATOM 216 CB TRP A 14 7.743 3.050 2.091 1.00 0.00 C ATOM 217 CG TRP A 14 8.380 2.202 1.045 1.00 0.00 C ATOM 218 CD1 TRP A 14 8.918 0.985 1.271 1.00 0.00 C ATOM 219 CD2 TRP A 14 8.582 2.481 -0.362 1.00 0.00 C ATOM 220 NE1 TRP A 14 9.391 0.480 0.081 1.00 0.00 N ATOM 221 CE2 TRP A 14 9.205 1.363 -0.953 1.00 0.00 C ATOM 222 CE3 TRP A 14 8.268 3.576 -1.181 1.00 0.00 C ATOM 223 CZ2 TRP A 14 9.499 1.331 -2.302 1.00 0.00 C ATOM 224 CZ3 TRP A 14 8.564 3.546 -2.541 1.00 0.00 C ATOM 225 CH2 TRP A 14 9.173 2.424 -3.097 1.00 0.00 C ATOM 0 H TRP A 14 6.115 1.234 2.451 1.00 0.00 H new ATOM 0 HA TRP A 14 5.938 4.114 2.436 1.00 0.00 H new ATOM 0 HB2 TRP A 14 8.227 4.027 2.107 1.00 0.00 H new ATOM 0 HB3 TRP A 14 7.906 2.598 3.069 1.00 0.00 H new ATOM 0 HD1 TRP A 14 8.969 0.489 2.229 1.00 0.00 H new ATOM 0 HE1 TRP A 14 9.826 -0.437 -0.020 1.00 0.00 H new ATOM 0 HE3 TRP A 14 7.794 4.447 -0.754 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 9.978 0.465 -2.735 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 8.321 4.393 -3.165 1.00 0.00 H new ATOM 0 HH2 TRP A 14 9.394 2.403 -4.154 1.00 0.00 H new ATOM 236 N GLU A 15 5.626 2.521 -0.430 1.00 0.00 N ATOM 237 CA GLU A 15 5.218 2.721 -1.828 1.00 0.00 C ATOM 238 C GLU A 15 3.907 3.491 -1.909 1.00 0.00 C ATOM 239 O GLU A 15 3.768 4.456 -2.663 1.00 0.00 O ATOM 240 CB GLU A 15 4.954 1.349 -2.446 1.00 0.00 C ATOM 241 CG GLU A 15 6.244 0.595 -2.742 1.00 0.00 C ATOM 242 CD GLU A 15 6.808 0.969 -4.121 1.00 0.00 C ATOM 243 OE1 GLU A 15 6.448 2.016 -4.647 1.00 0.00 O ATOM 244 OE2 GLU A 15 7.600 0.202 -4.635 1.00 0.00 O ATOM 0 H GLU A 15 5.736 1.543 -0.160 1.00 0.00 H new ATOM 0 HA GLU A 15 6.006 3.272 -2.342 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.338 0.759 -1.768 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.386 1.471 -3.368 1.00 0.00 H new ATOM 0 HG2 GLU A 15 6.983 0.819 -1.972 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.057 -0.478 -2.702 1.00 0.00 H new ATOM 251 N ILE A 16 2.963 3.034 -1.116 1.00 0.00 N ATOM 252 CA ILE A 16 1.636 3.622 -1.037 1.00 0.00 C ATOM 253 C ILE A 16 1.730 4.985 -0.381 1.00 0.00 C ATOM 254 O ILE A 16 1.130 5.952 -0.834 1.00 0.00 O ATOM 255 CB ILE A 16 0.784 2.632 -0.240 1.00 0.00 C ATOM 256 CG1 ILE A 16 0.785 1.322 -1.035 1.00 0.00 C ATOM 257 CG2 ILE A 16 -0.662 3.131 -0.041 1.00 0.00 C ATOM 258 CD1 ILE A 16 0.122 0.227 -0.220 1.00 0.00 C ATOM 0 H ILE A 16 3.093 2.233 -0.498 1.00 0.00 H new ATOM 0 HA ILE A 16 1.182 3.787 -2.014 1.00 0.00 H new ATOM 0 HB ILE A 16 1.201 2.505 0.759 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.256 1.458 -1.978 1.00 0.00 H new ATOM 0 HG13 ILE A 16 1.808 1.036 -1.282 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.226 2.394 0.530 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.649 4.077 0.501 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.134 3.276 -1.013 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.125 -0.703 -0.789 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.670 0.084 0.711 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.906 0.512 0.004 1.00 0.00 H new ATOM 270 N PHE A 17 2.529 5.053 0.669 1.00 0.00 N ATOM 271 CA PHE A 17 2.747 6.314 1.379 1.00 0.00 C ATOM 272 C PHE A 17 3.423 7.355 0.482 1.00 0.00 C ATOM 273 O PHE A 17 3.351 8.555 0.759 1.00 0.00 O ATOM 274 CB PHE A 17 3.636 6.084 2.605 1.00 0.00 C ATOM 275 CG PHE A 17 2.831 6.069 3.892 1.00 0.00 C ATOM 276 CD1 PHE A 17 1.755 6.955 4.090 1.00 0.00 C ATOM 277 CD2 PHE A 17 3.184 5.166 4.901 1.00 0.00 C ATOM 278 CE1 PHE A 17 1.044 6.923 5.295 1.00 0.00 C ATOM 279 CE2 PHE A 17 2.468 5.134 6.100 1.00 0.00 C ATOM 280 CZ PHE A 17 1.398 6.012 6.300 1.00 0.00 C ATOM 0 H PHE A 17 3.039 4.257 1.053 1.00 0.00 H new ATOM 0 HA PHE A 17 1.768 6.686 1.682 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.166 5.138 2.497 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.391 6.868 2.658 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.480 7.656 3.316 1.00 0.00 H new ATOM 0 HD2 PHE A 17 4.014 4.491 4.752 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.219 7.603 5.451 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.741 4.431 6.873 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.845 5.988 7.227 1.00 0.00 H new ATOM 290 N ASN A 18 4.080 6.893 -0.583 1.00 0.00 N ATOM 291 CA ASN A 18 4.771 7.796 -1.505 1.00 0.00 C ATOM 292 C ASN A 18 3.798 8.365 -2.528 1.00 0.00 C ATOM 293 O ASN A 18 4.209 8.925 -3.549 1.00 0.00 O ATOM 294 CB ASN A 18 5.922 7.059 -2.211 1.00 0.00 C ATOM 295 CG ASN A 18 7.140 6.944 -1.290 1.00 0.00 C ATOM 296 OD1 ASN A 18 8.252 6.720 -1.764 1.00 0.00 O ATOM 297 ND2 ASN A 18 7.000 7.081 0.002 1.00 0.00 N ATOM 0 H ASN A 18 4.148 5.905 -0.828 1.00 0.00 H new ATOM 0 HA ASN A 18 5.187 8.624 -0.931 1.00 0.00 H new ATOM 0 HB2 ASN A 18 5.593 6.064 -2.512 1.00 0.00 H new ATOM 0 HB3 ASN A 18 6.197 7.592 -3.121 1.00 0.00 H new ATOM 0 HD21 ASN A 18 7.812 7.002 0.614 1.00 0.00 H new ATOM 0 HD22 ASN A 18 6.079 7.267 0.398 1.00 0.00 H new ATOM 304 N LEU A 19 2.502 8.238 -2.239 1.00 0.00 N ATOM 305 CA LEU A 19 1.483 8.753 -3.127 1.00 0.00 C ATOM 306 C LEU A 19 1.178 10.186 -2.761 1.00 0.00 C ATOM 307 O LEU A 19 0.872 10.480 -1.602 1.00 0.00 O ATOM 308 CB LEU A 19 0.221 7.902 -3.044 1.00 0.00 C ATOM 309 CG LEU A 19 0.442 6.562 -3.764 1.00 0.00 C ATOM 310 CD1 LEU A 19 -0.889 5.887 -4.057 1.00 0.00 C ATOM 311 CD2 LEU A 19 1.151 6.783 -5.087 1.00 0.00 C ATOM 0 H LEU A 19 2.144 7.784 -1.399 1.00 0.00 H new ATOM 0 HA LEU A 19 1.849 8.714 -4.153 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.040 7.725 -2.001 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.616 8.433 -3.496 1.00 0.00 H new ATOM 0 HG LEU A 19 1.047 5.933 -3.110 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.712 4.940 -4.567 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.417 5.702 -3.121 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.493 6.534 -4.693 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.300 5.825 -5.584 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.545 7.430 -5.721 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.118 7.253 -4.908 1.00 0.00 H new ATOM 323 N PRO A 20 1.298 11.094 -3.699 1.00 0.00 N ATOM 324 CA PRO A 20 1.080 12.521 -3.420 1.00 0.00 C ATOM 325 C PRO A 20 -0.379 12.935 -3.188 1.00 0.00 C ATOM 326 O PRO A 20 -0.633 14.133 -3.034 1.00 0.00 O ATOM 327 CB PRO A 20 1.660 13.264 -4.637 1.00 0.00 C ATOM 328 CG PRO A 20 2.189 12.226 -5.574 1.00 0.00 C ATOM 329 CD PRO A 20 1.659 10.873 -5.111 1.00 0.00 C ATOM 0 HA PRO A 20 1.565 12.769 -2.476 1.00 0.00 H new ATOM 0 HB2 PRO A 20 0.892 13.866 -5.123 1.00 0.00 H new ATOM 0 HB3 PRO A 20 2.453 13.946 -4.330 1.00 0.00 H new ATOM 0 HG2 PRO A 20 1.869 12.433 -6.595 1.00 0.00 H new ATOM 0 HG3 PRO A 20 3.279 12.230 -5.574 1.00 0.00 H new ATOM 0 HD2 PRO A 20 0.796 10.560 -5.699 1.00 0.00 H new ATOM 0 HD3 PRO A 20 2.414 10.093 -5.212 1.00 0.00 H new ATOM 337 N ASN A 21 -1.346 11.996 -3.183 1.00 0.00 N ATOM 338 CA ASN A 21 -2.734 12.400 -2.990 1.00 0.00 C ATOM 339 C ASN A 21 -3.404 11.630 -1.859 1.00 0.00 C ATOM 340 O ASN A 21 -4.511 11.979 -1.458 1.00 0.00 O ATOM 341 CB ASN A 21 -3.508 12.203 -4.296 1.00 0.00 C ATOM 342 CG ASN A 21 -2.829 12.954 -5.442 1.00 0.00 C ATOM 343 OD1 ASN A 21 -2.438 14.110 -5.288 1.00 0.00 O ATOM 344 ND2 ASN A 21 -2.673 12.362 -6.593 1.00 0.00 N ATOM 0 H ASN A 21 -1.193 10.995 -3.306 1.00 0.00 H new ATOM 0 HA ASN A 21 -2.741 13.453 -2.709 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.566 11.141 -4.534 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.531 12.559 -4.176 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.227 12.857 -7.365 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -2.997 11.403 -6.722 1.00 0.00 H new ATOM 351 N LEU A 22 -2.738 10.596 -1.333 1.00 0.00 N ATOM 352 CA LEU A 22 -3.312 9.813 -0.243 1.00 0.00 C ATOM 353 C LEU A 22 -3.376 10.586 1.059 1.00 0.00 C ATOM 354 O LEU A 22 -2.671 11.577 1.263 1.00 0.00 O ATOM 355 CB LEU A 22 -2.471 8.580 0.056 1.00 0.00 C ATOM 356 CG LEU A 22 -2.474 7.578 -1.093 1.00 0.00 C ATOM 357 CD1 LEU A 22 -1.684 6.332 -0.664 1.00 0.00 C ATOM 358 CD2 LEU A 22 -3.906 7.164 -1.409 1.00 0.00 C ATOM 0 H LEU A 22 -1.816 10.288 -1.641 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.313 9.551 -0.585 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.446 8.885 0.265 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.849 8.096 0.957 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.022 8.032 -1.975 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.678 5.607 -1.478 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.659 6.616 -0.424 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.153 5.888 0.214 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -3.905 6.448 -2.231 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.355 6.705 -0.528 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.484 8.043 -1.695 1.00 0.00 H new ATOM 370 N ASN A 23 -4.189 10.046 1.955 1.00 0.00 N ATOM 371 CA ASN A 23 -4.344 10.567 3.296 1.00 0.00 C ATOM 372 C ASN A 23 -4.104 9.405 4.261 1.00 0.00 C ATOM 373 O ASN A 23 -4.204 8.239 3.863 1.00 0.00 O ATOM 374 CB ASN A 23 -5.745 11.164 3.484 1.00 0.00 C ATOM 375 CG ASN A 23 -6.806 10.181 3.004 1.00 0.00 C ATOM 376 OD1 ASN A 23 -6.929 9.095 3.553 1.00 0.00 O ATOM 377 ND2 ASN A 23 -7.575 10.498 2.001 1.00 0.00 N ATOM 0 H ASN A 23 -4.764 9.225 1.765 1.00 0.00 H new ATOM 0 HA ASN A 23 -3.631 11.369 3.486 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -5.909 11.402 4.535 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -5.827 12.099 2.929 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -8.281 9.840 1.672 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -7.471 11.404 1.545 1.00 0.00 H new ATOM 384 N GLY A 24 -3.768 9.717 5.505 1.00 0.00 N ATOM 385 CA GLY A 24 -3.491 8.689 6.509 1.00 0.00 C ATOM 386 C GLY A 24 -4.563 7.598 6.540 1.00 0.00 C ATOM 387 O GLY A 24 -4.280 6.467 6.917 1.00 0.00 O ATOM 0 H GLY A 24 -3.680 10.674 5.847 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.521 8.236 6.303 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.422 9.155 7.492 1.00 0.00 H new ATOM 391 N VAL A 25 -5.792 7.937 6.145 1.00 0.00 N ATOM 392 CA VAL A 25 -6.880 6.960 6.147 1.00 0.00 C ATOM 393 C VAL A 25 -6.729 5.954 5.004 1.00 0.00 C ATOM 394 O VAL A 25 -6.842 4.746 5.220 1.00 0.00 O ATOM 395 CB VAL A 25 -8.234 7.678 6.038 1.00 0.00 C ATOM 396 CG1 VAL A 25 -9.371 6.648 6.076 1.00 0.00 C ATOM 397 CG2 VAL A 25 -8.388 8.653 7.212 1.00 0.00 C ATOM 0 H VAL A 25 -6.056 8.868 5.824 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.836 6.411 7.088 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.278 8.227 5.097 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -10.330 7.161 5.998 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.262 5.955 5.242 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.330 6.095 7.015 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.348 9.164 7.137 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.343 8.102 8.151 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.583 9.387 7.183 1.00 0.00 H new ATOM 407 N GLN A 26 -6.491 6.460 3.789 1.00 0.00 N ATOM 408 CA GLN A 26 -6.350 5.608 2.619 1.00 0.00 C ATOM 409 C GLN A 26 -5.075 4.788 2.663 1.00 0.00 C ATOM 410 O GLN A 26 -5.099 3.592 2.376 1.00 0.00 O ATOM 411 CB GLN A 26 -6.382 6.482 1.368 1.00 0.00 C ATOM 412 CG GLN A 26 -7.783 7.086 1.232 1.00 0.00 C ATOM 413 CD GLN A 26 -7.887 7.985 0.003 1.00 0.00 C ATOM 414 OE1 GLN A 26 -8.862 8.719 -0.145 1.00 0.00 O ATOM 415 NE2 GLN A 26 -6.950 7.963 -0.898 1.00 0.00 N ATOM 0 H GLN A 26 -6.393 7.457 3.597 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.178 4.900 2.603 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -5.634 7.272 1.439 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -6.138 5.890 0.486 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.520 6.286 1.163 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -8.021 7.662 2.127 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -6.140 7.355 -0.777 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -7.025 8.554 -1.726 1.00 0.00 H new ATOM 424 N VAL A 27 -3.968 5.425 3.028 1.00 0.00 N ATOM 425 CA VAL A 27 -2.696 4.717 3.095 1.00 0.00 C ATOM 426 C VAL A 27 -2.786 3.570 4.092 1.00 0.00 C ATOM 427 O VAL A 27 -2.467 2.426 3.762 1.00 0.00 O ATOM 428 CB VAL A 27 -1.574 5.670 3.515 1.00 0.00 C ATOM 429 CG1 VAL A 27 -0.246 4.909 3.470 1.00 0.00 C ATOM 430 CG2 VAL A 27 -1.519 6.858 2.551 1.00 0.00 C ATOM 0 H VAL A 27 -3.925 6.413 3.278 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.473 4.319 2.105 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.758 6.041 4.523 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.565 5.574 3.767 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.289 4.062 4.154 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.067 4.549 2.457 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.719 7.535 2.853 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.328 6.498 1.540 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.471 7.389 2.573 1.00 0.00 H new ATOM 440 N LYS A 28 -3.263 3.885 5.293 1.00 0.00 N ATOM 441 CA LYS A 28 -3.431 2.881 6.335 1.00 0.00 C ATOM 442 C LYS A 28 -4.332 1.765 5.839 1.00 0.00 C ATOM 443 O LYS A 28 -4.140 0.614 6.194 1.00 0.00 O ATOM 444 CB LYS A 28 -4.009 3.505 7.609 1.00 0.00 C ATOM 445 CG LYS A 28 -2.923 4.337 8.306 1.00 0.00 C ATOM 446 CD LYS A 28 -3.491 4.964 9.585 1.00 0.00 C ATOM 447 CE LYS A 28 -2.446 5.895 10.209 1.00 0.00 C ATOM 448 NZ LYS A 28 -3.013 6.524 11.435 1.00 0.00 N ATOM 0 H LYS A 28 -3.539 4.828 5.567 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.452 2.468 6.576 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.864 4.135 7.363 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.370 2.724 8.278 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -2.068 3.706 8.548 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.564 5.118 7.636 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.399 5.522 9.356 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -3.766 4.183 10.294 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.545 5.334 10.458 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.155 6.664 9.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.305 7.156 11.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.860 7.072 11.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.270 5.783 12.118 1.00 0.00 H new ATOM 462 N ALA A 29 -5.313 2.126 5.015 1.00 0.00 N ATOM 463 CA ALA A 29 -6.247 1.159 4.460 1.00 0.00 C ATOM 464 C ALA A 29 -5.527 0.175 3.548 1.00 0.00 C ATOM 465 O ALA A 29 -5.828 -1.021 3.554 1.00 0.00 O ATOM 466 CB ALA A 29 -7.323 1.885 3.654 1.00 0.00 C ATOM 0 H ALA A 29 -5.479 3.087 4.718 1.00 0.00 H new ATOM 0 HA ALA A 29 -6.702 0.612 5.285 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -8.021 1.157 3.240 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -7.861 2.575 4.304 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -6.856 2.442 2.842 1.00 0.00 H new ATOM 472 N PHE A 30 -4.577 0.685 2.761 1.00 0.00 N ATOM 473 CA PHE A 30 -3.838 -0.148 1.857 1.00 0.00 C ATOM 474 C PHE A 30 -2.873 -1.004 2.642 1.00 0.00 C ATOM 475 O PHE A 30 -2.753 -2.205 2.409 1.00 0.00 O ATOM 476 CB PHE A 30 -3.156 0.736 0.819 1.00 0.00 C ATOM 477 CG PHE A 30 -4.244 1.462 0.048 1.00 0.00 C ATOM 478 CD1 PHE A 30 -5.325 0.733 -0.473 1.00 0.00 C ATOM 479 CD2 PHE A 30 -4.209 2.854 -0.111 1.00 0.00 C ATOM 480 CE1 PHE A 30 -6.350 1.389 -1.139 1.00 0.00 C ATOM 481 CE2 PHE A 30 -5.236 3.501 -0.787 1.00 0.00 C ATOM 482 CZ PHE A 30 -6.305 2.765 -1.299 1.00 0.00 C ATOM 0 H PHE A 30 -4.314 1.670 2.744 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.495 -0.831 1.318 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.489 1.449 1.303 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -2.546 0.134 0.145 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -5.359 -0.340 -0.355 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.384 3.423 0.292 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -7.184 0.827 -1.533 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -5.207 4.573 -0.916 1.00 0.00 H new ATOM 0 HZ PHE A 30 -7.102 3.271 -1.823 1.00 0.00 H new ATOM 492 N ILE A 31 -2.241 -0.379 3.621 1.00 0.00 N ATOM 493 CA ILE A 31 -1.334 -1.075 4.507 1.00 0.00 C ATOM 494 C ILE A 31 -2.119 -2.054 5.374 1.00 0.00 C ATOM 495 O ILE A 31 -1.639 -3.141 5.691 1.00 0.00 O ATOM 496 CB ILE A 31 -0.560 -0.052 5.331 1.00 0.00 C ATOM 497 CG1 ILE A 31 0.370 0.693 4.370 1.00 0.00 C ATOM 498 CG2 ILE A 31 0.273 -0.738 6.423 1.00 0.00 C ATOM 499 CD1 ILE A 31 0.476 2.149 4.771 1.00 0.00 C ATOM 0 H ILE A 31 -2.343 0.616 3.820 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.609 -1.658 3.940 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.253 0.629 5.824 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.358 0.233 4.378 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.009 0.615 3.351 1.00 0.00 H new ATOM 0 HG21 ILE A 31 0.814 0.016 6.995 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.387 -1.294 7.089 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.984 -1.423 5.962 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.140 2.669 4.081 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.512 2.608 4.739 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.877 2.220 5.782 1.00 0.00 H new ATOM 511 N ASP A 32 -3.349 -1.677 5.726 1.00 0.00 N ATOM 512 CA ASP A 32 -4.200 -2.568 6.518 1.00 0.00 C ATOM 513 C ASP A 32 -4.415 -3.858 5.734 1.00 0.00 C ATOM 514 O ASP A 32 -4.511 -4.944 6.306 1.00 0.00 O ATOM 515 CB ASP A 32 -5.550 -1.908 6.829 1.00 0.00 C ATOM 516 CG ASP A 32 -6.386 -2.826 7.721 1.00 0.00 C ATOM 517 OD1 ASP A 32 -6.171 -2.811 8.921 1.00 0.00 O ATOM 518 OD2 ASP A 32 -7.223 -3.537 7.186 1.00 0.00 O ATOM 0 H ASP A 32 -3.772 -0.781 5.482 1.00 0.00 H new ATOM 0 HA ASP A 32 -3.710 -2.782 7.468 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -5.391 -0.951 7.326 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.085 -1.701 5.902 1.00 0.00 H new ATOM 523 N SER A 33 -4.466 -3.716 4.412 1.00 0.00 N ATOM 524 CA SER A 33 -4.629 -4.857 3.527 1.00 0.00 C ATOM 525 C SER A 33 -3.305 -5.624 3.404 1.00 0.00 C ATOM 526 O SER A 33 -3.304 -6.827 3.145 1.00 0.00 O ATOM 527 CB SER A 33 -5.104 -4.394 2.153 1.00 0.00 C ATOM 528 OG SER A 33 -5.585 -5.514 1.422 1.00 0.00 O ATOM 0 H SER A 33 -4.396 -2.818 3.933 1.00 0.00 H new ATOM 0 HA SER A 33 -5.381 -5.524 3.948 1.00 0.00 H new ATOM 0 HB2 SER A 33 -5.892 -3.649 2.260 1.00 0.00 H new ATOM 0 HB3 SER A 33 -4.285 -3.917 1.614 1.00 0.00 H new ATOM 0 HG SER A 33 -6.037 -5.205 0.609 1.00 0.00 H new ATOM 534 N LEU A 34 -2.176 -4.911 3.587 1.00 0.00 N ATOM 535 CA LEU A 34 -0.844 -5.536 3.491 1.00 0.00 C ATOM 536 C LEU A 34 -0.736 -6.680 4.494 1.00 0.00 C ATOM 537 O LEU A 34 -0.404 -7.809 4.141 1.00 0.00 O ATOM 538 CB LEU A 34 0.266 -4.508 3.841 1.00 0.00 C ATOM 539 CG LEU A 34 1.189 -4.187 2.663 1.00 0.00 C ATOM 540 CD1 LEU A 34 1.558 -5.456 1.890 1.00 0.00 C ATOM 541 CD2 LEU A 34 0.480 -3.171 1.768 1.00 0.00 C ATOM 0 H LEU A 34 -2.160 -3.914 3.800 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.717 -5.897 2.471 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.199 -3.586 4.190 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.863 -4.896 4.666 1.00 0.00 H new ATOM 0 HG LEU A 34 2.125 -3.763 3.027 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.214 -5.198 1.059 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.071 -6.151 2.555 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.652 -5.924 1.505 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.119 -2.925 0.920 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.456 -3.596 1.406 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.271 -2.266 2.339 1.00 0.00 H new ATOM 553 N ARG A 35 -1.030 -6.358 5.751 1.00 0.00 N ATOM 554 CA ARG A 35 -0.982 -7.343 6.833 1.00 0.00 C ATOM 555 C ARG A 35 -2.047 -8.416 6.618 1.00 0.00 C ATOM 556 O ARG A 35 -1.821 -9.593 6.910 1.00 0.00 O ATOM 557 CB ARG A 35 -1.162 -6.658 8.203 1.00 0.00 C ATOM 558 CG ARG A 35 -2.328 -5.655 8.177 1.00 0.00 C ATOM 559 CD ARG A 35 -1.987 -4.428 9.037 1.00 0.00 C ATOM 560 NE ARG A 35 -1.188 -3.477 8.267 1.00 0.00 N ATOM 561 CZ ARG A 35 0.133 -3.593 8.173 1.00 0.00 C ATOM 562 NH1 ARG A 35 0.896 -3.148 9.129 1.00 0.00 N ATOM 563 NH2 ARG A 35 0.662 -4.149 7.122 1.00 0.00 N ATOM 0 H ARG A 35 -1.305 -5.422 6.048 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.003 -7.822 6.823 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -1.345 -7.412 8.968 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.242 -6.142 8.478 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -2.529 -5.346 7.151 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -3.235 -6.130 8.550 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -2.904 -3.949 9.380 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -1.438 -4.739 9.926 1.00 0.00 H new ATOM 0 HE ARG A 35 -1.655 -2.706 7.790 1.00 0.00 H new ATOM 0 HH11 ARG A 35 0.480 -2.710 9.951 1.00 0.00 H new ATOM 0 HH12 ARG A 35 1.909 -3.237 9.056 1.00 0.00 H new ATOM 0 HH21 ARG A 35 0.063 -4.495 6.372 1.00 0.00 H new ATOM 0 HH22 ARG A 35 1.675 -4.239 7.048 1.00 0.00 H new ATOM 577 N ASP A 36 -3.197 -8.003 6.078 1.00 0.00 N ATOM 578 CA ASP A 36 -4.290 -8.931 5.792 1.00 0.00 C ATOM 579 C ASP A 36 -3.871 -9.912 4.700 1.00 0.00 C ATOM 580 O ASP A 36 -4.252 -11.085 4.711 1.00 0.00 O ATOM 581 CB ASP A 36 -5.534 -8.153 5.346 1.00 0.00 C ATOM 582 CG ASP A 36 -6.725 -9.099 5.201 1.00 0.00 C ATOM 583 OD1 ASP A 36 -7.376 -9.361 6.200 1.00 0.00 O ATOM 584 OD2 ASP A 36 -6.967 -9.551 4.094 1.00 0.00 O ATOM 0 H ASP A 36 -3.393 -7.033 5.831 1.00 0.00 H new ATOM 0 HA ASP A 36 -4.526 -9.489 6.698 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.765 -7.375 6.073 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -5.339 -7.654 4.397 1.00 0.00 H new ATOM 589 N ASP A 37 -3.072 -9.403 3.773 1.00 0.00 N ATOM 590 CA ASP A 37 -2.559 -10.186 2.657 1.00 0.00 C ATOM 591 C ASP A 37 -1.374 -9.457 2.029 1.00 0.00 C ATOM 592 O ASP A 37 -1.548 -8.505 1.260 1.00 0.00 O ATOM 593 CB ASP A 37 -3.654 -10.429 1.606 1.00 0.00 C ATOM 594 CG ASP A 37 -3.274 -11.600 0.687 1.00 0.00 C ATOM 595 OD1 ASP A 37 -2.103 -11.725 0.350 1.00 0.00 O ATOM 596 OD2 ASP A 37 -4.162 -12.352 0.326 1.00 0.00 O ATOM 0 H ASP A 37 -2.760 -8.432 3.773 1.00 0.00 H new ATOM 0 HA ASP A 37 -2.232 -11.157 3.030 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -4.601 -10.642 2.102 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.802 -9.527 1.012 1.00 0.00 H new ATOM 601 N PRO A 38 -0.179 -9.875 2.362 1.00 0.00 N ATOM 602 CA PRO A 38 1.067 -9.249 1.846 1.00 0.00 C ATOM 603 C PRO A 38 1.325 -9.539 0.372 1.00 0.00 C ATOM 604 O PRO A 38 2.054 -8.798 -0.290 1.00 0.00 O ATOM 605 CB PRO A 38 2.175 -9.819 2.736 1.00 0.00 C ATOM 606 CG PRO A 38 1.530 -10.716 3.742 1.00 0.00 C ATOM 607 CD PRO A 38 0.119 -10.998 3.263 1.00 0.00 C ATOM 0 HA PRO A 38 1.006 -8.162 1.889 1.00 0.00 H new ATOM 0 HB2 PRO A 38 2.899 -10.372 2.138 1.00 0.00 H new ATOM 0 HB3 PRO A 38 2.719 -9.015 3.233 1.00 0.00 H new ATOM 0 HG2 PRO A 38 2.093 -11.644 3.845 1.00 0.00 H new ATOM 0 HG3 PRO A 38 1.514 -10.242 4.724 1.00 0.00 H new ATOM 0 HD2 PRO A 38 0.057 -11.954 2.744 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.584 -11.041 4.095 1.00 0.00 H new ATOM 615 N SER A 39 0.710 -10.600 -0.140 1.00 0.00 N ATOM 616 CA SER A 39 0.865 -10.963 -1.546 1.00 0.00 C ATOM 617 C SER A 39 0.241 -9.883 -2.421 1.00 0.00 C ATOM 618 O SER A 39 0.580 -9.741 -3.597 1.00 0.00 O ATOM 619 CB SER A 39 0.184 -12.305 -1.824 1.00 0.00 C ATOM 620 OG SER A 39 0.534 -13.233 -0.805 1.00 0.00 O ATOM 0 H SER A 39 0.102 -11.222 0.394 1.00 0.00 H new ATOM 0 HA SER A 39 1.927 -11.052 -1.775 1.00 0.00 H new ATOM 0 HB2 SER A 39 -0.898 -12.176 -1.858 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.490 -12.686 -2.798 1.00 0.00 H new ATOM 0 HG SER A 39 0.097 -14.092 -0.981 1.00 0.00 H new ATOM 626 N GLN A 40 -0.695 -9.144 -1.826 1.00 0.00 N ATOM 627 CA GLN A 40 -1.409 -8.090 -2.527 1.00 0.00 C ATOM 628 C GLN A 40 -0.690 -6.760 -2.483 1.00 0.00 C ATOM 629 O GLN A 40 -1.167 -5.821 -3.085 1.00 0.00 O ATOM 630 CB GLN A 40 -2.805 -7.897 -1.910 1.00 0.00 C ATOM 631 CG GLN A 40 -3.515 -9.245 -1.751 1.00 0.00 C ATOM 632 CD GLN A 40 -3.625 -9.963 -3.093 1.00 0.00 C ATOM 633 OE1 GLN A 40 -4.107 -9.390 -4.071 1.00 0.00 O ATOM 634 NE2 GLN A 40 -3.202 -11.192 -3.199 1.00 0.00 N ATOM 0 H GLN A 40 -0.974 -9.261 -0.852 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.477 -8.409 -3.567 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -2.715 -7.410 -0.939 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -3.400 -7.239 -2.543 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -2.967 -9.868 -1.044 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -4.510 -9.090 -1.334 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -2.803 -11.666 -2.389 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -3.270 -11.680 -4.092 1.00 0.00 H new ATOM 643 N SER A 41 0.437 -6.672 -1.779 1.00 0.00 N ATOM 644 CA SER A 41 1.153 -5.411 -1.636 1.00 0.00 C ATOM 645 C SER A 41 1.157 -4.583 -2.920 1.00 0.00 C ATOM 646 O SER A 41 0.934 -3.380 -2.864 1.00 0.00 O ATOM 647 CB SER A 41 2.596 -5.729 -1.225 1.00 0.00 C ATOM 648 OG SER A 41 3.262 -6.380 -2.301 1.00 0.00 O ATOM 0 H SER A 41 0.872 -7.460 -1.300 1.00 0.00 H new ATOM 0 HA SER A 41 0.644 -4.813 -0.880 1.00 0.00 H new ATOM 0 HB2 SER A 41 3.121 -4.811 -0.960 1.00 0.00 H new ATOM 0 HB3 SER A 41 2.602 -6.366 -0.341 1.00 0.00 H new ATOM 0 HG SER A 41 4.185 -6.582 -2.040 1.00 0.00 H new ATOM 654 N ALA A 42 1.355 -5.226 -4.061 1.00 0.00 N ATOM 655 CA ALA A 42 1.345 -4.525 -5.336 1.00 0.00 C ATOM 656 C ALA A 42 -0.066 -4.055 -5.702 1.00 0.00 C ATOM 657 O ALA A 42 -0.250 -3.006 -6.315 1.00 0.00 O ATOM 658 CB ALA A 42 1.864 -5.457 -6.419 1.00 0.00 C ATOM 0 H ALA A 42 1.524 -6.229 -4.130 1.00 0.00 H new ATOM 0 HA ALA A 42 1.984 -3.646 -5.252 1.00 0.00 H new ATOM 0 HB1 ALA A 42 1.860 -4.939 -7.378 1.00 0.00 H new ATOM 0 HB2 ALA A 42 2.881 -5.765 -6.177 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.224 -6.337 -6.479 1.00 0.00 H new ATOM 664 N ASN A 43 -1.051 -4.851 -5.309 1.00 0.00 N ATOM 665 CA ASN A 43 -2.448 -4.552 -5.555 1.00 0.00 C ATOM 666 C ASN A 43 -2.892 -3.392 -4.674 1.00 0.00 C ATOM 667 O ASN A 43 -3.627 -2.517 -5.091 1.00 0.00 O ATOM 668 CB ASN A 43 -3.292 -5.790 -5.263 1.00 0.00 C ATOM 669 CG ASN A 43 -4.669 -5.691 -5.917 1.00 0.00 C ATOM 670 OD1 ASN A 43 -5.107 -4.610 -6.316 1.00 0.00 O ATOM 671 ND2 ASN A 43 -5.379 -6.772 -6.051 1.00 0.00 N ATOM 0 H ASN A 43 -0.899 -5.726 -4.808 1.00 0.00 H new ATOM 0 HA ASN A 43 -2.580 -4.268 -6.599 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -2.777 -6.678 -5.628 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -3.407 -5.909 -4.186 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -6.300 -6.726 -6.487 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -5.015 -7.666 -5.720 1.00 0.00 H new ATOM 678 N LEU A 44 -2.397 -3.412 -3.447 1.00 0.00 N ATOM 679 CA LEU A 44 -2.672 -2.385 -2.457 1.00 0.00 C ATOM 680 C LEU A 44 -2.084 -1.116 -2.988 1.00 0.00 C ATOM 681 O LEU A 44 -2.679 -0.048 -2.905 1.00 0.00 O ATOM 682 CB LEU A 44 -2.052 -2.827 -1.123 1.00 0.00 C ATOM 683 CG LEU A 44 -2.497 -4.274 -0.882 1.00 0.00 C ATOM 684 CD1 LEU A 44 -2.024 -4.828 0.439 1.00 0.00 C ATOM 685 CD2 LEU A 44 -4.000 -4.367 -0.970 1.00 0.00 C ATOM 0 H LEU A 44 -1.784 -4.153 -3.107 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.735 -2.227 -2.276 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.965 -2.759 -1.161 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.384 -2.181 -0.310 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.034 -4.881 -1.660 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.372 -5.855 0.548 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.935 -4.809 0.473 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.423 -4.221 1.252 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.311 -5.397 -0.798 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.449 -3.721 -0.215 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.327 -4.050 -1.960 1.00 0.00 H new ATOM 697 N LEU A 45 -0.941 -1.298 -3.625 1.00 0.00 N ATOM 698 CA LEU A 45 -0.256 -0.228 -4.305 1.00 0.00 C ATOM 699 C LEU A 45 -1.152 0.266 -5.420 1.00 0.00 C ATOM 700 O LEU A 45 -1.309 1.455 -5.645 1.00 0.00 O ATOM 701 CB LEU A 45 0.996 -0.786 -4.985 1.00 0.00 C ATOM 702 CG LEU A 45 2.272 -0.261 -4.391 1.00 0.00 C ATOM 703 CD1 LEU A 45 2.198 1.262 -4.202 1.00 0.00 C ATOM 704 CD2 LEU A 45 2.450 -1.030 -3.096 1.00 0.00 C ATOM 0 H LEU A 45 -0.465 -2.198 -3.682 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.005 0.557 -3.592 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.988 -1.873 -4.911 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.967 -0.538 -6.046 1.00 0.00 H new ATOM 0 HG LEU A 45 3.138 -0.410 -5.036 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.132 1.621 -3.771 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.036 1.741 -5.168 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.372 1.506 -3.533 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.364 -0.702 -2.601 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.597 -0.845 -2.443 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.517 -2.096 -3.312 1.00 0.00 H new ATOM 716 N ALA A 46 -1.715 -0.716 -6.119 1.00 0.00 N ATOM 717 CA ALA A 46 -2.592 -0.476 -7.254 1.00 0.00 C ATOM 718 C ALA A 46 -3.802 0.301 -6.809 1.00 0.00 C ATOM 719 O ALA A 46 -4.193 1.298 -7.416 1.00 0.00 O ATOM 720 CB ALA A 46 -3.053 -1.819 -7.821 1.00 0.00 C ATOM 0 H ALA A 46 -1.573 -1.704 -5.910 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.052 0.091 -8.012 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.711 -1.648 -8.673 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.185 -2.395 -8.143 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.591 -2.373 -7.052 1.00 0.00 H new ATOM 726 N GLU A 47 -4.359 -0.168 -5.711 1.00 0.00 N ATOM 727 CA GLU A 47 -5.497 0.445 -5.103 1.00 0.00 C ATOM 728 C GLU A 47 -5.106 1.811 -4.586 1.00 0.00 C ATOM 729 O GLU A 47 -5.902 2.746 -4.562 1.00 0.00 O ATOM 730 CB GLU A 47 -5.924 -0.434 -3.955 1.00 0.00 C ATOM 731 CG GLU A 47 -6.603 -1.721 -4.461 1.00 0.00 C ATOM 732 CD GLU A 47 -7.736 -1.398 -5.442 1.00 0.00 C ATOM 733 OE1 GLU A 47 -8.629 -0.651 -5.071 1.00 0.00 O ATOM 734 OE2 GLU A 47 -7.693 -1.905 -6.551 1.00 0.00 O ATOM 0 H GLU A 47 -4.022 -0.995 -5.219 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.312 0.560 -5.818 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.056 -0.692 -3.349 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.611 0.114 -3.310 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.865 -2.357 -4.950 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -6.999 -2.284 -3.616 1.00 0.00 H new ATOM 741 N ALA A 48 -3.852 1.902 -4.180 1.00 0.00 N ATOM 742 CA ALA A 48 -3.310 3.137 -3.676 1.00 0.00 C ATOM 743 C ALA A 48 -3.181 4.127 -4.808 1.00 0.00 C ATOM 744 O ALA A 48 -3.576 5.283 -4.678 1.00 0.00 O ATOM 745 CB ALA A 48 -1.933 2.893 -3.078 1.00 0.00 C ATOM 0 H ALA A 48 -3.191 1.125 -4.193 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.977 3.530 -2.909 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.529 3.832 -2.699 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.013 2.176 -2.261 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.268 2.496 -3.845 1.00 0.00 H new ATOM 751 N LYS A 49 -2.658 3.644 -5.936 1.00 0.00 N ATOM 752 CA LYS A 49 -2.511 4.483 -7.114 1.00 0.00 C ATOM 753 C LYS A 49 -3.897 4.932 -7.518 1.00 0.00 C ATOM 754 O LYS A 49 -4.110 6.065 -7.921 1.00 0.00 O ATOM 755 CB LYS A 49 -1.907 3.694 -8.290 1.00 0.00 C ATOM 756 CG LYS A 49 -0.508 3.123 -7.975 1.00 0.00 C ATOM 757 CD LYS A 49 0.260 4.014 -7.000 1.00 0.00 C ATOM 758 CE LYS A 49 1.693 3.489 -6.842 1.00 0.00 C ATOM 759 NZ LYS A 49 2.313 4.079 -5.620 1.00 0.00 N ATOM 0 H LYS A 49 -2.333 2.684 -6.053 1.00 0.00 H new ATOM 0 HA LYS A 49 -1.851 5.319 -6.881 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.577 2.876 -8.554 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.840 4.345 -9.162 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.610 2.124 -7.552 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.060 3.021 -8.900 1.00 0.00 H new ATOM 0 HD2 LYS A 49 0.276 5.041 -7.366 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.242 4.028 -6.032 1.00 0.00 H new ATOM 0 HE2 LYS A 49 1.686 2.401 -6.769 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.284 3.746 -7.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.054 3.442 -5.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 2.733 5.001 -5.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 1.585 4.206 -4.888 1.00 0.00 H new ATOM 773 N LYS A 50 -4.833 4.000 -7.366 1.00 0.00 N ATOM 774 CA LYS A 50 -6.228 4.236 -7.682 1.00 0.00 C ATOM 775 C LYS A 50 -6.804 5.302 -6.768 1.00 0.00 C ATOM 776 O LYS A 50 -7.510 6.204 -7.221 1.00 0.00 O ATOM 777 CB LYS A 50 -7.000 2.918 -7.531 1.00 0.00 C ATOM 778 CG LYS A 50 -8.451 3.071 -8.003 1.00 0.00 C ATOM 779 CD LYS A 50 -9.275 1.888 -7.474 1.00 0.00 C ATOM 780 CE LYS A 50 -8.998 0.635 -8.313 1.00 0.00 C ATOM 781 NZ LYS A 50 -9.832 -0.491 -7.803 1.00 0.00 N ATOM 0 H LYS A 50 -4.640 3.060 -7.019 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.317 4.593 -8.708 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -6.507 2.136 -8.108 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.985 2.602 -6.488 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.867 4.011 -7.642 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -8.492 3.101 -9.092 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -9.025 1.699 -6.430 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -10.337 2.130 -7.508 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.227 0.827 -9.361 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -7.941 0.374 -8.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -9.214 -1.247 -7.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -10.442 -0.150 -7.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -10.423 -0.862 -8.574 1.00 0.00 H new ATOM 795 N LEU A 51 -6.480 5.202 -5.482 1.00 0.00 N ATOM 796 CA LEU A 51 -6.962 6.183 -4.515 1.00 0.00 C ATOM 797 C LEU A 51 -6.266 7.512 -4.739 1.00 0.00 C ATOM 798 O LEU A 51 -6.900 8.564 -4.728 1.00 0.00 O ATOM 799 CB LEU A 51 -6.767 5.690 -3.073 1.00 0.00 C ATOM 800 CG LEU A 51 -8.142 5.338 -2.461 1.00 0.00 C ATOM 801 CD1 LEU A 51 -9.089 6.552 -2.511 1.00 0.00 C ATOM 802 CD2 LEU A 51 -8.767 4.167 -3.243 1.00 0.00 C ATOM 0 H LEU A 51 -5.895 4.464 -5.090 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.033 6.320 -4.665 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.116 4.816 -3.061 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.277 6.460 -2.477 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.996 5.053 -1.419 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -10.051 6.281 -2.075 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.654 7.376 -1.946 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.234 6.858 -3.547 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -9.737 3.918 -2.812 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.897 4.454 -4.286 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.110 3.299 -3.185 1.00 0.00 H new ATOM 814 N ASN A 52 -4.961 7.445 -4.971 1.00 0.00 N ATOM 815 CA ASN A 52 -4.175 8.637 -5.243 1.00 0.00 C ATOM 816 C ASN A 52 -4.696 9.317 -6.500 1.00 0.00 C ATOM 817 O ASN A 52 -4.889 10.527 -6.529 1.00 0.00 O ATOM 818 CB ASN A 52 -2.725 8.233 -5.451 1.00 0.00 C ATOM 819 CG ASN A 52 -1.871 9.429 -5.848 1.00 0.00 C ATOM 820 OD1 ASN A 52 -1.371 10.146 -4.991 1.00 0.00 O ATOM 821 ND2 ASN A 52 -1.677 9.689 -7.112 1.00 0.00 N ATOM 0 H ASN A 52 -4.426 6.576 -4.976 1.00 0.00 H new ATOM 0 HA ASN A 52 -4.252 9.328 -4.404 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -2.333 7.791 -4.535 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -2.666 7.468 -6.225 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.108 10.490 -7.386 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -2.094 9.091 -7.825 1.00 0.00 H new ATOM 828 N ASP A 53 -4.938 8.502 -7.525 1.00 0.00 N ATOM 829 CA ASP A 53 -5.462 8.984 -8.792 1.00 0.00 C ATOM 830 C ASP A 53 -6.817 9.624 -8.565 1.00 0.00 C ATOM 831 O ASP A 53 -7.140 10.665 -9.140 1.00 0.00 O ATOM 832 CB ASP A 53 -5.575 7.811 -9.787 1.00 0.00 C ATOM 833 CG ASP A 53 -4.193 7.359 -10.289 1.00 0.00 C ATOM 834 OD1 ASP A 53 -3.211 8.043 -10.028 1.00 0.00 O ATOM 835 OD2 ASP A 53 -4.137 6.320 -10.924 1.00 0.00 O ATOM 0 H ASP A 53 -4.776 7.495 -7.497 1.00 0.00 H new ATOM 0 HA ASP A 53 -4.787 9.730 -9.211 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.080 6.973 -9.307 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.191 8.111 -10.635 1.00 0.00 H new ATOM 840 N ALA A 54 -7.583 8.994 -7.688 1.00 0.00 N ATOM 841 CA ALA A 54 -8.897 9.483 -7.321 1.00 0.00 C ATOM 842 C ALA A 54 -8.768 10.772 -6.514 1.00 0.00 C ATOM 843 O ALA A 54 -9.610 11.666 -6.618 1.00 0.00 O ATOM 844 CB ALA A 54 -9.631 8.424 -6.497 1.00 0.00 C ATOM 0 H ALA A 54 -7.310 8.133 -7.214 1.00 0.00 H new ATOM 0 HA ALA A 54 -9.466 9.689 -8.227 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -10.618 8.796 -6.223 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -9.737 7.513 -7.086 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -9.062 8.207 -5.593 1.00 0.00 H new ATOM 850 N GLN A 55 -7.696 10.859 -5.715 1.00 0.00 N ATOM 851 CA GLN A 55 -7.447 12.044 -4.894 1.00 0.00 C ATOM 852 C GLN A 55 -6.565 13.046 -5.638 1.00 0.00 C ATOM 853 O GLN A 55 -6.198 14.091 -5.096 1.00 0.00 O ATOM 854 CB GLN A 55 -6.810 11.630 -3.557 1.00 0.00 C ATOM 855 CG GLN A 55 -7.933 11.321 -2.556 1.00 0.00 C ATOM 856 CD GLN A 55 -7.405 11.358 -1.127 1.00 0.00 C ATOM 857 OE1 GLN A 55 -7.844 12.176 -0.320 1.00 0.00 O ATOM 858 NE2 GLN A 55 -6.488 10.517 -0.768 1.00 0.00 N ATOM 0 H GLN A 55 -6.993 10.126 -5.622 1.00 0.00 H new ATOM 0 HA GLN A 55 -8.398 12.535 -4.687 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -6.175 10.755 -3.695 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -6.174 12.429 -3.177 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -8.739 12.046 -2.670 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -8.356 10.339 -2.768 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -6.126 9.840 -1.439 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -6.128 10.532 0.186 1.00 0.00 H new ATOM 867 N ALA A 56 -6.241 12.715 -6.887 1.00 0.00 N ATOM 868 CA ALA A 56 -5.407 13.580 -7.721 1.00 0.00 C ATOM 869 C ALA A 56 -6.203 14.765 -8.246 1.00 0.00 C ATOM 870 O ALA A 56 -7.436 14.766 -8.209 1.00 0.00 O ATOM 871 CB ALA A 56 -4.822 12.783 -8.893 1.00 0.00 C ATOM 0 H ALA A 56 -6.543 11.854 -7.344 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.593 13.960 -7.104 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.203 13.438 -9.506 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.213 11.965 -8.509 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.633 12.379 -9.499 1.00 0.00 H new ATOM 877 N PRO A 57 -5.515 15.778 -8.719 1.00 0.00 N ATOM 878 CA PRO A 57 -6.153 17.010 -9.247 1.00 0.00 C ATOM 879 C PRO A 57 -6.750 16.797 -10.636 1.00 0.00 C ATOM 880 O PRO A 57 -6.434 15.816 -11.314 1.00 0.00 O ATOM 881 CB PRO A 57 -5.015 18.039 -9.284 1.00 0.00 C ATOM 882 CG PRO A 57 -3.781 17.354 -8.788 1.00 0.00 C ATOM 883 CD PRO A 57 -4.050 15.862 -8.813 1.00 0.00 C ATOM 0 HA PRO A 57 -6.990 17.331 -8.627 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -4.867 18.412 -10.297 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -5.254 18.900 -8.659 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.926 17.600 -9.417 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -3.539 17.684 -7.778 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -3.679 15.402 -9.729 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -3.564 15.352 -7.981 1.00 0.00 H new ATOM 891 N LYS A 58 -7.614 17.732 -11.043 1.00 0.00 N ATOM 892 CA LYS A 58 -8.278 17.677 -12.355 1.00 0.00 C ATOM 893 C LYS A 58 -9.114 16.392 -12.511 1.00 0.00 C ATOM 894 O LYS A 58 -9.497 16.083 -13.629 1.00 0.00 O ATOM 895 CB LYS A 58 -7.229 17.774 -13.479 1.00 0.00 C ATOM 896 CG LYS A 58 -6.476 19.109 -13.376 1.00 0.00 C ATOM 897 CD LYS A 58 -5.339 19.155 -14.408 1.00 0.00 C ATOM 898 CE LYS A 58 -5.911 19.247 -15.830 1.00 0.00 C ATOM 899 NZ LYS A 58 -6.149 17.874 -16.365 1.00 0.00 N ATOM 900 OXT LYS A 58 -9.374 15.743 -11.507 1.00 0.00 O ATOM 0 H LYS A 58 -7.873 18.542 -10.480 1.00 0.00 H new ATOM 0 HA LYS A 58 -8.959 18.525 -12.425 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -6.527 16.944 -13.406 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -7.716 17.695 -14.451 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -7.164 19.937 -13.544 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.071 19.230 -12.371 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -4.696 20.013 -14.212 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -4.719 18.263 -14.315 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -6.843 19.811 -15.822 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.218 19.785 -16.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -5.678 17.774 -17.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -5.764 17.171 -15.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -7.171 17.718 -16.480 1.00 0.00 H new TER 914 LYS A 58