USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 738 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 30 TYR OH : rot -134:sc= 0.383 USER MOD Set 1.2: A 93 TYR OH : rot 180:sc= 0.351 USER MOD Set 2.1: A 31 GLN : amide:sc= -4.53 K(o=-8.1,f=-12!) USER MOD Set 2.2: A 81 MET CE :methyl -161:sc= -3.57 (180deg=-4.39!) USER MOD Set 3.1: A 43 GLN : amide:sc= -2.57! C(o=-2.6!,f=-2.1!) USER MOD Set 3.2: A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 22 HIS : no HD1:sc= -4.45 K(o=-15,f=-19!) USER MOD Set 4.2: A 24 SER OG : rot -170:sc= -0.51 USER MOD Set 4.3: A 25 MET CE :methyl -162:sc= -2.09 (180deg=-3.84!) USER MOD Set 4.4: A 48 MET CE :methyl -106:sc= -3.46! (180deg=-1.35) USER MOD Set 4.5: A 57 MET CE :methyl -117:sc= -4.92! (180deg=-7.84!) USER MOD Set 5.1: A 9 CYS SG : rot 99:sc= 0.647 USER MOD Set 5.2: A 45 TYR OH : rot -171:sc= -0.143 USER MOD Set 5.3: A 72 THR OG1 : rot 180:sc= 0.443 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 CYS SG : rot 66:sc= -1.33 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.0257 K(o=-0.026,f=-1) USER MOD Single : A 14 ASN : amide:sc= -0.522 K(o=-0.52,f=-3.9!) USER MOD Single : A 17 SER OG : rot 180:sc= -0.0557 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -45:sc= -1.52 USER MOD Single : A 34 GLN : amide:sc= -0.421 X(o=-0.42,f=-0.055) USER MOD Single : A 39 ASN : amide:sc= -0.251 X(o=-0.25,f=-0.43) USER MOD Single : A 41 HIS : no HE2:sc= -3.63 K(o=-3.6,f=-5.9!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot -149:sc= -0.485 USER MOD Single : A 53 SER OG : rot 180:sc= 0.0686 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HD1:sc=-0.00107 X(o=-0.0011,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= -0.531 USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.14 USER MOD ----------------------------------------------------------------- ATOM 11 N ARG A 3 -11.758 0.174 16.938 1.00 53.34 N ATOM 12 CA ARG A 3 -10.589 -0.689 16.826 1.00 72.54 C ATOM 13 C ARG A 3 -9.709 -0.264 15.654 1.00 10.10 C ATOM 14 O ARG A 3 -10.174 -0.173 14.518 1.00 3.21 O ATOM 15 CB ARG A 3 -11.020 -2.147 16.651 1.00 52.25 C ATOM 16 CG ARG A 3 -10.456 -3.080 17.709 1.00 34.15 C ATOM 17 CD ARG A 3 -10.529 -4.533 17.267 1.00 65.11 C ATOM 18 NE ARG A 3 -11.262 -5.360 18.221 1.00 24.34 N ATOM 19 CZ ARG A 3 -11.356 -6.682 18.128 1.00 54.03 C ATOM 20 NH1 ARG A 3 -10.767 -7.323 17.128 1.00 51.12 N ATOM 21 NH2 ARG A 3 -12.041 -7.365 19.036 1.00 74.33 N ATOM 0 HA ARG A 3 -10.010 -0.595 17.745 1.00 72.54 H new ATOM 0 HB2 ARG A 3 -12.108 -2.201 16.675 1.00 52.25 H new ATOM 0 HB3 ARG A 3 -10.705 -2.495 15.667 1.00 52.25 H new ATOM 0 HG2 ARG A 3 -9.420 -2.813 17.916 1.00 34.15 H new ATOM 0 HG3 ARG A 3 -11.009 -2.953 18.640 1.00 34.15 H new ATOM 0 HD2 ARG A 3 -11.012 -4.591 16.291 1.00 65.11 H new ATOM 0 HD3 ARG A 3 -9.520 -4.926 17.147 1.00 65.11 H new ATOM 0 HE ARG A 3 -11.728 -4.897 19.002 1.00 24.34 H new ATOM 0 HH11 ARG A 3 -10.240 -6.801 16.428 1.00 51.12 H new ATOM 0 HH12 ARG A 3 -10.841 -8.338 17.059 1.00 51.12 H new ATOM 0 HH21 ARG A 3 -12.496 -6.875 19.806 1.00 74.33 H new ATOM 0 HH22 ARG A 3 -12.113 -8.380 18.964 1.00 74.33 H new ATOM 35 N GLN A 4 -8.437 -0.004 15.940 1.00 72.53 N ATOM 36 CA GLN A 4 -7.493 0.413 14.910 1.00 71.53 C ATOM 37 C GLN A 4 -6.834 -0.796 14.254 1.00 24.32 C ATOM 38 O GLN A 4 -6.782 -1.880 14.836 1.00 74.12 O ATOM 39 CB GLN A 4 -6.425 1.329 15.508 1.00 2.23 C ATOM 40 CG GLN A 4 -6.575 2.786 15.101 1.00 75.00 C ATOM 41 CD GLN A 4 -7.200 3.635 16.191 1.00 44.13 C ATOM 42 OE1 GLN A 4 -6.512 4.399 16.869 1.00 20.43 O ATOM 43 NE2 GLN A 4 -8.510 3.507 16.364 1.00 22.54 N ATOM 0 H GLN A 4 -8.037 -0.075 16.876 1.00 72.53 H new ATOM 0 HA GLN A 4 -8.045 0.961 14.147 1.00 71.53 H new ATOM 0 HB2 GLN A 4 -6.465 1.258 16.595 1.00 2.23 H new ATOM 0 HB3 GLN A 4 -5.441 0.974 15.201 1.00 2.23 H new ATOM 0 HG2 GLN A 4 -5.595 3.191 14.847 1.00 75.00 H new ATOM 0 HG3 GLN A 4 -7.188 2.847 14.202 1.00 75.00 H new ATOM 0 HE21 GLN A 4 -9.041 2.862 15.779 1.00 22.54 H new ATOM 0 HE22 GLN A 4 -8.986 4.054 17.082 1.00 22.54 H new ATOM 52 N VAL A 5 -6.330 -0.603 13.039 1.00 21.13 N ATOM 53 CA VAL A 5 -5.673 -1.677 12.304 1.00 23.45 C ATOM 54 C VAL A 5 -4.327 -1.222 11.752 1.00 24.13 C ATOM 55 O VAL A 5 -4.083 -0.026 11.590 1.00 15.11 O ATOM 56 CB VAL A 5 -6.549 -2.180 11.142 1.00 41.35 C ATOM 57 CG1 VAL A 5 -7.873 -2.717 11.664 1.00 42.34 C ATOM 58 CG2 VAL A 5 -6.777 -1.068 10.128 1.00 33.14 C ATOM 0 H VAL A 5 -6.364 0.288 12.543 1.00 21.13 H new ATOM 0 HA VAL A 5 -5.516 -2.493 13.010 1.00 23.45 H new ATOM 0 HB VAL A 5 -6.026 -2.996 10.642 1.00 41.35 H new ATOM 0 HG11 VAL A 5 -8.478 -3.068 10.828 1.00 42.34 H new ATOM 0 HG12 VAL A 5 -7.686 -3.544 12.349 1.00 42.34 H new ATOM 0 HG13 VAL A 5 -8.405 -1.924 12.190 1.00 42.34 H new ATOM 0 HG21 VAL A 5 -7.398 -1.440 9.313 1.00 33.14 H new ATOM 0 HG22 VAL A 5 -7.278 -0.231 10.613 1.00 33.14 H new ATOM 0 HG23 VAL A 5 -5.818 -0.736 9.731 1.00 33.14 H new ATOM 68 N ILE A 6 -3.456 -2.183 11.465 1.00 64.42 N ATOM 69 CA ILE A 6 -2.134 -1.881 10.929 1.00 73.11 C ATOM 70 C ILE A 6 -2.171 -1.767 9.409 1.00 65.24 C ATOM 71 O ILE A 6 -2.992 -2.404 8.748 1.00 63.13 O ATOM 72 CB ILE A 6 -1.106 -2.956 11.327 1.00 4.25 C ATOM 73 CG1 ILE A 6 -1.131 -3.180 12.841 1.00 65.32 C ATOM 74 CG2 ILE A 6 0.288 -2.551 10.869 1.00 34.34 C ATOM 75 CD1 ILE A 6 -2.083 -4.273 13.274 1.00 52.40 C ATOM 0 H ILE A 6 -3.642 -3.178 11.595 1.00 64.42 H new ATOM 0 HA ILE A 6 -1.831 -0.925 11.356 1.00 73.11 H new ATOM 0 HB ILE A 6 -1.371 -3.892 10.835 1.00 4.25 H new ATOM 0 HG12 ILE A 6 -0.126 -3.430 13.180 1.00 65.32 H new ATOM 0 HG13 ILE A 6 -1.411 -2.249 13.333 1.00 65.32 H new ATOM 0 HG21 ILE A 6 1.004 -3.321 11.158 1.00 34.34 H new ATOM 0 HG22 ILE A 6 0.296 -2.436 9.785 1.00 34.34 H new ATOM 0 HG23 ILE A 6 0.564 -1.606 11.336 1.00 34.34 H new ATOM 0 HD11 ILE A 6 -2.049 -4.377 14.359 1.00 52.40 H new ATOM 0 HD12 ILE A 6 -3.096 -4.016 12.966 1.00 52.40 H new ATOM 0 HD13 ILE A 6 -1.791 -5.215 12.810 1.00 52.40 H new ATOM 87 N CYS A 7 -1.275 -0.954 8.860 1.00 3.25 N ATOM 88 CA CYS A 7 -1.203 -0.757 7.417 1.00 51.00 C ATOM 89 C CYS A 7 -0.535 -1.948 6.738 1.00 30.32 C ATOM 90 O CYS A 7 0.184 -2.717 7.378 1.00 54.45 O ATOM 91 CB CYS A 7 -0.436 0.526 7.094 1.00 63.12 C ATOM 92 SG CYS A 7 -0.920 1.949 8.099 1.00 70.23 S ATOM 0 H CYS A 7 -0.588 -0.421 9.393 1.00 3.25 H new ATOM 0 HA CYS A 7 -2.221 -0.669 7.036 1.00 51.00 H new ATOM 0 HB2 CYS A 7 0.630 0.344 7.231 1.00 63.12 H new ATOM 0 HB3 CYS A 7 -0.585 0.770 6.042 1.00 63.12 H new ATOM 0 HG CYS A 7 -0.596 1.735 9.340 1.00 70.23 H new ATOM 98 N TRP A 8 -0.778 -2.096 5.441 1.00 34.11 N ATOM 99 CA TRP A 8 -0.201 -3.196 4.676 1.00 54.41 C ATOM 100 C TRP A 8 0.916 -2.698 3.765 1.00 13.24 C ATOM 101 O TRP A 8 0.698 -1.832 2.917 1.00 71.22 O ATOM 102 CB TRP A 8 -1.283 -3.888 3.845 1.00 23.51 C ATOM 103 CG TRP A 8 -2.266 -4.658 4.674 1.00 74.04 C ATOM 104 CD1 TRP A 8 -3.152 -4.147 5.579 1.00 31.31 C ATOM 105 CD2 TRP A 8 -2.462 -6.076 4.674 1.00 73.32 C ATOM 106 NE1 TRP A 8 -3.887 -5.163 6.142 1.00 2.22 N ATOM 107 CE2 TRP A 8 -3.483 -6.356 5.603 1.00 15.41 C ATOM 108 CE3 TRP A 8 -1.876 -7.137 3.978 1.00 33.11 C ATOM 109 CZ2 TRP A 8 -3.928 -7.651 5.853 1.00 22.23 C ATOM 110 CZ3 TRP A 8 -2.318 -8.422 4.228 1.00 72.42 C ATOM 111 CH2 TRP A 8 -3.336 -8.671 5.158 1.00 12.31 C ATOM 0 H TRP A 8 -1.370 -1.469 4.897 1.00 34.11 H new ATOM 0 HA TRP A 8 0.222 -3.913 5.379 1.00 54.41 H new ATOM 0 HB2 TRP A 8 -1.818 -3.139 3.262 1.00 23.51 H new ATOM 0 HB3 TRP A 8 -0.808 -4.565 3.135 1.00 23.51 H new ATOM 0 HD1 TRP A 8 -3.259 -3.099 5.817 1.00 31.31 H new ATOM 0 HE1 TRP A 8 -4.615 -5.047 6.847 1.00 2.22 H new ATOM 0 HE3 TRP A 8 -1.092 -6.956 3.258 1.00 33.11 H new ATOM 0 HZ2 TRP A 8 -4.712 -7.844 6.570 1.00 22.23 H new ATOM 0 HZ3 TRP A 8 -1.871 -9.249 3.697 1.00 72.42 H new ATOM 0 HH2 TRP A 8 -3.660 -9.687 5.330 1.00 12.31 H new ATOM 122 N CYS A 9 2.110 -3.249 3.947 1.00 65.24 N ATOM 123 CA CYS A 9 3.262 -2.860 3.141 1.00 44.12 C ATOM 124 C CYS A 9 3.448 -3.810 1.962 1.00 34.33 C ATOM 125 O CYS A 9 3.661 -5.009 2.145 1.00 3.14 O ATOM 126 CB CYS A 9 4.528 -2.840 3.999 1.00 10.31 C ATOM 127 SG CYS A 9 5.785 -1.669 3.433 1.00 31.45 S ATOM 0 H CYS A 9 2.306 -3.966 4.645 1.00 65.24 H new ATOM 0 HA CYS A 9 3.079 -1.858 2.752 1.00 44.12 H new ATOM 0 HB2 CYS A 9 4.255 -2.595 5.025 1.00 10.31 H new ATOM 0 HB3 CYS A 9 4.960 -3.841 4.014 1.00 10.31 H new ATOM 0 HG CYS A 9 5.714 -0.581 4.140 1.00 31.45 H new ATOM 133 N PHE A 10 3.363 -3.267 0.752 1.00 33.53 N ATOM 134 CA PHE A 10 3.518 -4.067 -0.457 1.00 61.41 C ATOM 135 C PHE A 10 4.333 -3.316 -1.505 1.00 43.33 C ATOM 136 O PHE A 10 4.486 -2.096 -1.433 1.00 53.24 O ATOM 137 CB PHE A 10 2.148 -4.437 -1.029 1.00 20.30 C ATOM 138 CG PHE A 10 1.644 -3.463 -2.055 1.00 60.43 C ATOM 139 CD1 PHE A 10 0.905 -2.355 -1.674 1.00 33.31 C ATOM 140 CD2 PHE A 10 1.910 -3.656 -3.401 1.00 40.54 C ATOM 141 CE1 PHE A 10 0.439 -1.458 -2.616 1.00 62.14 C ATOM 142 CE2 PHE A 10 1.447 -2.761 -4.349 1.00 24.44 C ATOM 143 CZ PHE A 10 0.712 -1.661 -3.955 1.00 51.32 C ATOM 0 H PHE A 10 3.188 -2.277 0.583 1.00 33.53 H new ATOM 0 HA PHE A 10 4.052 -4.980 -0.192 1.00 61.41 H new ATOM 0 HB2 PHE A 10 2.207 -5.428 -1.479 1.00 20.30 H new ATOM 0 HB3 PHE A 10 1.427 -4.499 -0.214 1.00 20.30 H new ATOM 0 HD1 PHE A 10 0.691 -2.190 -0.628 1.00 33.31 H new ATOM 0 HD2 PHE A 10 2.485 -4.515 -3.714 1.00 40.54 H new ATOM 0 HE1 PHE A 10 -0.138 -0.599 -2.306 1.00 62.14 H new ATOM 0 HE2 PHE A 10 1.660 -2.923 -5.395 1.00 24.44 H new ATOM 0 HZ PHE A 10 0.351 -0.960 -4.693 1.00 51.32 H new ATOM 153 N THR A 11 4.857 -4.053 -2.480 1.00 74.10 N ATOM 154 CA THR A 11 5.658 -3.458 -3.542 1.00 74.34 C ATOM 155 C THR A 11 5.238 -3.987 -4.909 1.00 62.31 C ATOM 156 O THR A 11 4.947 -5.174 -5.064 1.00 62.14 O ATOM 157 CB THR A 11 7.159 -3.735 -3.336 1.00 72.10 C ATOM 158 OG1 THR A 11 7.522 -3.478 -1.975 1.00 32.11 O ATOM 159 CG2 THR A 11 8.001 -2.871 -4.263 1.00 12.25 C ATOM 0 H THR A 11 4.741 -5.064 -2.556 1.00 74.10 H new ATOM 0 HA THR A 11 5.486 -2.382 -3.503 1.00 74.34 H new ATOM 0 HB THR A 11 7.348 -4.783 -3.570 1.00 72.10 H new ATOM 0 HG1 THR A 11 8.477 -3.658 -1.852 1.00 32.11 H new ATOM 0 HG21 THR A 11 9.057 -3.084 -4.099 1.00 12.25 H new ATOM 0 HG22 THR A 11 7.743 -3.090 -5.299 1.00 12.25 H new ATOM 0 HG23 THR A 11 7.807 -1.819 -4.056 1.00 12.25 H new ATOM 167 N LEU A 12 5.210 -3.101 -5.898 1.00 15.30 N ATOM 168 CA LEU A 12 4.826 -3.479 -7.254 1.00 3.12 C ATOM 169 C LEU A 12 5.857 -2.991 -8.267 1.00 71.30 C ATOM 170 O LEU A 12 6.103 -1.792 -8.388 1.00 61.24 O ATOM 171 CB LEU A 12 3.449 -2.906 -7.594 1.00 62.41 C ATOM 172 CG LEU A 12 3.033 -2.988 -9.063 1.00 52.22 C ATOM 173 CD1 LEU A 12 3.346 -4.363 -9.631 1.00 64.15 C ATOM 174 CD2 LEU A 12 1.553 -2.670 -9.216 1.00 75.23 C ATOM 0 H LEU A 12 5.449 -2.116 -5.787 1.00 15.30 H new ATOM 0 HA LEU A 12 4.782 -4.567 -7.303 1.00 3.12 H new ATOM 0 HB2 LEU A 12 2.702 -3.428 -6.996 1.00 62.41 H new ATOM 0 HB3 LEU A 12 3.427 -1.860 -7.289 1.00 62.41 H new ATOM 0 HG LEU A 12 3.604 -2.248 -9.624 1.00 52.22 H new ATOM 0 HD11 LEU A 12 3.043 -4.402 -10.677 1.00 64.15 H new ATOM 0 HD12 LEU A 12 4.417 -4.552 -9.556 1.00 64.15 H new ATOM 0 HD13 LEU A 12 2.803 -5.122 -9.067 1.00 64.15 H new ATOM 0 HD21 LEU A 12 1.274 -2.733 -10.268 1.00 75.23 H new ATOM 0 HD22 LEU A 12 0.966 -3.386 -8.641 1.00 75.23 H new ATOM 0 HD23 LEU A 12 1.357 -1.663 -8.849 1.00 75.23 H new ATOM 186 N ASN A 13 6.455 -3.930 -8.994 1.00 14.11 N ATOM 187 CA ASN A 13 7.458 -3.596 -9.999 1.00 15.55 C ATOM 188 C ASN A 13 6.857 -3.633 -11.400 1.00 53.14 C ATOM 189 O ASN A 13 6.123 -4.557 -11.748 1.00 23.42 O ATOM 190 CB ASN A 13 8.639 -4.564 -9.912 1.00 11.12 C ATOM 191 CG ASN A 13 8.195 -6.006 -9.762 1.00 74.14 C ATOM 192 OD1 ASN A 13 7.815 -6.441 -8.675 1.00 54.30 O ATOM 193 ND2 ASN A 13 8.241 -6.756 -10.858 1.00 12.25 N ATOM 0 H ASN A 13 6.262 -4.928 -8.906 1.00 14.11 H new ATOM 0 HA ASN A 13 7.812 -2.584 -9.802 1.00 15.55 H new ATOM 0 HB2 ASN A 13 9.252 -4.467 -10.808 1.00 11.12 H new ATOM 0 HB3 ASN A 13 9.268 -4.290 -9.065 1.00 11.12 H new ATOM 0 HD21 ASN A 13 7.954 -7.734 -10.819 1.00 12.25 H new ATOM 0 HD22 ASN A 13 8.563 -6.354 -11.738 1.00 12.25 H new ATOM 200 N ASN A 14 7.174 -2.621 -12.201 1.00 41.24 N ATOM 201 CA ASN A 14 6.666 -2.538 -13.566 1.00 12.41 C ATOM 202 C ASN A 14 5.153 -2.730 -13.595 1.00 73.44 C ATOM 203 O ASN A 14 4.637 -3.710 -14.134 1.00 61.03 O ATOM 204 CB ASN A 14 7.342 -3.588 -14.449 1.00 43.12 C ATOM 205 CG ASN A 14 7.029 -3.395 -15.920 1.00 42.43 C ATOM 206 OD1 ASN A 14 6.068 -2.713 -16.277 1.00 71.55 O ATOM 207 ND2 ASN A 14 7.842 -3.995 -16.782 1.00 32.21 N ATOM 0 H ASN A 14 7.780 -1.847 -11.929 1.00 41.24 H new ATOM 0 HA ASN A 14 6.896 -1.546 -13.953 1.00 12.41 H new ATOM 0 HB2 ASN A 14 8.421 -3.543 -14.301 1.00 43.12 H new ATOM 0 HB3 ASN A 14 7.019 -4.582 -14.139 1.00 43.12 H new ATOM 0 HD21 ASN A 14 7.682 -3.900 -17.785 1.00 32.21 H new ATOM 0 HD22 ASN A 14 8.626 -4.551 -16.441 1.00 32.21 H new ATOM 214 N PRO A 15 4.423 -1.774 -13.003 1.00 53.31 N ATOM 215 CA PRO A 15 2.958 -1.815 -12.949 1.00 3.21 C ATOM 216 C PRO A 15 2.321 -1.591 -14.316 1.00 62.22 C ATOM 217 O PRO A 15 2.925 -0.986 -15.203 1.00 4.14 O ATOM 218 CB PRO A 15 2.606 -0.666 -12.001 1.00 21.04 C ATOM 219 CG PRO A 15 3.756 0.276 -12.103 1.00 32.21 C ATOM 220 CD PRO A 15 4.971 -0.578 -12.341 1.00 15.00 C ATOM 0 HA PRO A 15 2.589 -2.786 -12.619 1.00 3.21 H new ATOM 0 HB2 PRO A 15 1.673 -0.184 -12.292 1.00 21.04 H new ATOM 0 HB3 PRO A 15 2.475 -1.022 -10.979 1.00 21.04 H new ATOM 0 HG2 PRO A 15 3.610 0.983 -12.920 1.00 32.21 H new ATOM 0 HG3 PRO A 15 3.863 0.861 -11.190 1.00 32.21 H new ATOM 0 HD2 PRO A 15 5.702 -0.070 -12.970 1.00 15.00 H new ATOM 0 HD3 PRO A 15 5.474 -0.830 -11.407 1.00 15.00 H new ATOM 228 N LEU A 16 1.098 -2.082 -14.481 1.00 60.51 N ATOM 229 CA LEU A 16 0.378 -1.936 -15.741 1.00 41.33 C ATOM 230 C LEU A 16 -0.686 -0.847 -15.637 1.00 63.52 C ATOM 231 O LEU A 16 -1.342 -0.511 -16.623 1.00 33.05 O ATOM 232 CB LEU A 16 -0.271 -3.263 -16.138 1.00 41.22 C ATOM 233 CG LEU A 16 0.599 -4.216 -16.959 1.00 34.34 C ATOM 234 CD1 LEU A 16 1.520 -5.014 -16.049 1.00 63.13 C ATOM 235 CD2 LEU A 16 -0.270 -5.148 -17.791 1.00 33.25 C ATOM 0 H LEU A 16 0.584 -2.585 -13.758 1.00 60.51 H new ATOM 0 HA LEU A 16 1.095 -1.646 -16.509 1.00 41.33 H new ATOM 0 HB2 LEU A 16 -0.582 -3.779 -15.229 1.00 41.22 H new ATOM 0 HB3 LEU A 16 -1.175 -3.047 -16.707 1.00 41.22 H new ATOM 0 HG LEU A 16 1.214 -3.624 -17.637 1.00 34.34 H new ATOM 0 HD11 LEU A 16 2.132 -5.687 -16.650 1.00 63.13 H new ATOM 0 HD12 LEU A 16 2.166 -4.332 -15.497 1.00 63.13 H new ATOM 0 HD13 LEU A 16 0.923 -5.596 -15.347 1.00 63.13 H new ATOM 0 HD21 LEU A 16 0.366 -5.819 -18.369 1.00 33.25 H new ATOM 0 HD22 LEU A 16 -0.911 -5.733 -17.132 1.00 33.25 H new ATOM 0 HD23 LEU A 16 -0.888 -4.560 -18.469 1.00 33.25 H new ATOM 247 N SER A 17 -0.849 -0.299 -14.437 1.00 62.43 N ATOM 248 CA SER A 17 -1.834 0.750 -14.204 1.00 2.12 C ATOM 249 C SER A 17 -1.803 1.210 -12.749 1.00 50.35 C ATOM 250 O SER A 17 -1.307 0.516 -11.862 1.00 64.13 O ATOM 251 CB SER A 17 -3.235 0.253 -14.564 1.00 32.24 C ATOM 252 OG SER A 17 -3.359 -1.139 -14.325 1.00 53.44 O ATOM 0 H SER A 17 -0.312 -0.564 -13.612 1.00 62.43 H new ATOM 0 HA SER A 17 -1.583 1.598 -14.841 1.00 2.12 H new ATOM 0 HB2 SER A 17 -3.978 0.794 -13.978 1.00 32.24 H new ATOM 0 HB3 SER A 17 -3.441 0.465 -15.613 1.00 32.24 H new ATOM 0 HG SER A 17 -4.264 -1.432 -14.561 1.00 53.44 H new ATOM 258 N PRO A 18 -2.346 2.410 -12.498 1.00 14.51 N ATOM 259 CA PRO A 18 -2.395 2.991 -11.153 1.00 3.41 C ATOM 260 C PRO A 18 -3.363 2.252 -10.236 1.00 72.33 C ATOM 261 O PRO A 18 -4.310 1.615 -10.701 1.00 1.03 O ATOM 262 CB PRO A 18 -2.880 4.422 -11.401 1.00 73.44 C ATOM 263 CG PRO A 18 -3.640 4.347 -12.681 1.00 23.11 C ATOM 264 CD PRO A 18 -2.956 3.293 -13.507 1.00 72.41 C ATOM 0 HA PRO A 18 -1.429 2.935 -10.650 1.00 3.41 H new ATOM 0 HB2 PRO A 18 -3.512 4.773 -10.585 1.00 73.44 H new ATOM 0 HB3 PRO A 18 -2.043 5.116 -11.477 1.00 73.44 H new ATOM 0 HG2 PRO A 18 -4.683 4.086 -12.501 1.00 23.11 H new ATOM 0 HG3 PRO A 18 -3.636 5.309 -13.194 1.00 23.11 H new ATOM 0 HD2 PRO A 18 -3.664 2.754 -14.137 1.00 72.41 H new ATOM 0 HD3 PRO A 18 -2.206 3.726 -14.169 1.00 72.41 H new ATOM 272 N LEU A 19 -3.121 2.340 -8.933 1.00 72.31 N ATOM 273 CA LEU A 19 -3.973 1.679 -7.950 1.00 61.34 C ATOM 274 C LEU A 19 -5.297 2.419 -7.792 1.00 72.31 C ATOM 275 O LEU A 19 -5.473 3.517 -8.319 1.00 4.53 O ATOM 276 CB LEU A 19 -3.258 1.595 -6.601 1.00 2.13 C ATOM 277 CG LEU A 19 -1.838 1.027 -6.627 1.00 54.02 C ATOM 278 CD1 LEU A 19 -1.238 1.026 -5.230 1.00 61.50 C ATOM 279 CD2 LEU A 19 -1.837 -0.378 -7.212 1.00 11.12 C ATOM 0 H LEU A 19 -2.342 2.862 -8.532 1.00 72.31 H new ATOM 0 HA LEU A 19 -4.182 0.670 -8.306 1.00 61.34 H new ATOM 0 HB2 LEU A 19 -3.220 2.595 -6.170 1.00 2.13 H new ATOM 0 HB3 LEU A 19 -3.861 0.982 -5.931 1.00 2.13 H new ATOM 0 HG LEU A 19 -1.223 1.664 -7.263 1.00 54.02 H new ATOM 0 HD11 LEU A 19 -0.228 0.619 -5.268 1.00 61.50 H new ATOM 0 HD12 LEU A 19 -1.204 2.046 -4.848 1.00 61.50 H new ATOM 0 HD13 LEU A 19 -1.852 0.412 -4.571 1.00 61.50 H new ATOM 0 HD21 LEU A 19 -0.819 -0.767 -7.223 1.00 11.12 H new ATOM 0 HD22 LEU A 19 -2.466 -1.026 -6.602 1.00 11.12 H new ATOM 0 HD23 LEU A 19 -2.225 -0.348 -8.230 1.00 11.12 H new ATOM 291 N SER A 20 -6.226 1.810 -7.062 1.00 22.15 N ATOM 292 CA SER A 20 -7.535 2.410 -6.835 1.00 13.21 C ATOM 293 C SER A 20 -8.061 2.059 -5.446 1.00 71.45 C ATOM 294 O SER A 20 -7.631 1.079 -4.836 1.00 62.25 O ATOM 295 CB SER A 20 -8.526 1.941 -7.902 1.00 14.22 C ATOM 296 OG SER A 20 -8.600 0.527 -7.943 1.00 32.33 O ATOM 0 H SER A 20 -6.096 0.901 -6.618 1.00 22.15 H new ATOM 0 HA SER A 20 -7.427 3.493 -6.900 1.00 13.21 H new ATOM 0 HB2 SER A 20 -9.513 2.354 -7.693 1.00 14.22 H new ATOM 0 HB3 SER A 20 -8.222 2.321 -8.877 1.00 14.22 H new ATOM 0 HG SER A 20 -9.241 0.253 -8.632 1.00 32.33 H new ATOM 302 N LEU A 21 -8.994 2.865 -4.953 1.00 32.23 N ATOM 303 CA LEU A 21 -9.580 2.640 -3.636 1.00 15.42 C ATOM 304 C LEU A 21 -10.408 1.359 -3.619 1.00 41.13 C ATOM 305 O LEU A 21 -10.948 0.943 -4.645 1.00 15.42 O ATOM 306 CB LEU A 21 -10.454 3.830 -3.235 1.00 52.53 C ATOM 307 CG LEU A 21 -11.390 3.606 -2.047 1.00 75.04 C ATOM 308 CD1 LEU A 21 -10.594 3.456 -0.761 1.00 21.23 C ATOM 309 CD2 LEU A 21 -12.387 4.750 -1.930 1.00 5.43 C ATOM 0 H LEU A 21 -9.361 3.680 -5.445 1.00 32.23 H new ATOM 0 HA LEU A 21 -8.767 2.535 -2.918 1.00 15.42 H new ATOM 0 HB2 LEU A 21 -9.802 4.672 -3.004 1.00 52.53 H new ATOM 0 HB3 LEU A 21 -11.056 4.120 -4.096 1.00 52.53 H new ATOM 0 HG LEU A 21 -11.945 2.683 -2.216 1.00 75.04 H new ATOM 0 HD11 LEU A 21 -11.277 3.297 0.073 1.00 21.23 H new ATOM 0 HD12 LEU A 21 -9.922 2.602 -0.847 1.00 21.23 H new ATOM 0 HD13 LEU A 21 -10.012 4.361 -0.586 1.00 21.23 H new ATOM 0 HD21 LEU A 21 -13.045 4.574 -1.079 1.00 5.43 H new ATOM 0 HD22 LEU A 21 -11.850 5.687 -1.785 1.00 5.43 H new ATOM 0 HD23 LEU A 21 -12.981 4.810 -2.842 1.00 5.43 H new ATOM 321 N HIS A 22 -10.504 0.738 -2.448 1.00 55.10 N ATOM 322 CA HIS A 22 -11.269 -0.495 -2.297 1.00 41.12 C ATOM 323 C HIS A 22 -12.449 -0.290 -1.352 1.00 72.32 C ATOM 324 O HIS A 22 -12.288 0.222 -0.244 1.00 72.33 O ATOM 325 CB HIS A 22 -10.370 -1.616 -1.774 1.00 74.13 C ATOM 326 CG HIS A 22 -10.902 -2.989 -2.052 1.00 41.52 C ATOM 327 ND1 HIS A 22 -10.879 -4.007 -1.123 1.00 13.22 N ATOM 328 CD2 HIS A 22 -11.475 -3.508 -3.163 1.00 44.13 C ATOM 329 CE1 HIS A 22 -11.413 -5.094 -1.651 1.00 13.34 C ATOM 330 NE2 HIS A 22 -11.783 -4.817 -2.888 1.00 71.42 N ATOM 0 H HIS A 22 -10.062 1.068 -1.590 1.00 55.10 H new ATOM 0 HA HIS A 22 -11.656 -0.776 -3.276 1.00 41.12 H new ATOM 0 HB2 HIS A 22 -9.383 -1.519 -2.226 1.00 74.13 H new ATOM 0 HB3 HIS A 22 -10.242 -1.496 -0.698 1.00 74.13 H new ATOM 0 HD2 HIS A 22 -11.656 -2.989 -4.093 1.00 44.13 H new ATOM 0 HE1 HIS A 22 -11.527 -6.047 -1.155 1.00 13.34 H new ATOM 0 HE2 HIS A 22 -12.226 -5.470 -3.534 1.00 71.42 H new ATOM 338 N ASP A 23 -13.634 -0.693 -1.798 1.00 11.21 N ATOM 339 CA ASP A 23 -14.842 -0.554 -0.992 1.00 5.10 C ATOM 340 C ASP A 23 -14.666 -1.220 0.369 1.00 2.43 C ATOM 341 O ASP A 23 -15.336 -0.861 1.338 1.00 60.33 O ATOM 342 CB ASP A 23 -16.040 -1.164 -1.721 1.00 2.21 C ATOM 343 CG ASP A 23 -16.867 -0.122 -2.448 1.00 41.20 C ATOM 344 OD1 ASP A 23 -16.315 0.560 -3.337 1.00 5.33 O ATOM 345 OD2 ASP A 23 -18.067 0.011 -2.129 1.00 63.00 O ATOM 0 H ASP A 23 -13.784 -1.118 -2.713 1.00 11.21 H new ATOM 0 HA ASP A 23 -15.025 0.509 -0.836 1.00 5.10 H new ATOM 0 HB2 ASP A 23 -15.687 -1.907 -2.436 1.00 2.21 H new ATOM 0 HB3 ASP A 23 -16.671 -1.688 -1.003 1.00 2.21 H new ATOM 350 N SER A 24 -13.761 -2.191 0.435 1.00 1.10 N ATOM 351 CA SER A 24 -13.500 -2.910 1.676 1.00 34.34 C ATOM 352 C SER A 24 -12.543 -2.126 2.568 1.00 12.44 C ATOM 353 O SER A 24 -12.713 -2.075 3.786 1.00 12.12 O ATOM 354 CB SER A 24 -12.918 -4.293 1.377 1.00 74.12 C ATOM 355 OG SER A 24 -13.564 -4.888 0.265 1.00 74.32 O ATOM 0 H SER A 24 -13.196 -2.498 -0.357 1.00 1.10 H new ATOM 0 HA SER A 24 -14.447 -3.028 2.203 1.00 34.34 H new ATOM 0 HB2 SER A 24 -11.850 -4.206 1.178 1.00 74.12 H new ATOM 0 HB3 SER A 24 -13.028 -4.934 2.252 1.00 74.12 H new ATOM 0 HG SER A 24 -13.289 -5.826 0.190 1.00 74.32 H new ATOM 361 N MET A 25 -11.536 -1.515 1.952 1.00 15.12 N ATOM 362 CA MET A 25 -10.552 -0.731 2.690 1.00 71.45 C ATOM 363 C MET A 25 -11.113 0.638 3.059 1.00 53.24 C ATOM 364 O MET A 25 -12.268 0.947 2.764 1.00 11.41 O ATOM 365 CB MET A 25 -9.276 -0.566 1.862 1.00 71.43 C ATOM 366 CG MET A 25 -9.349 0.567 0.852 1.00 52.41 C ATOM 367 SD MET A 25 -7.731 1.022 0.200 1.00 61.04 S ATOM 368 CE MET A 25 -7.544 -0.184 -1.112 1.00 5.24 C ATOM 0 H MET A 25 -11.380 -1.548 0.945 1.00 15.12 H new ATOM 0 HA MET A 25 -10.314 -1.266 3.610 1.00 71.45 H new ATOM 0 HB2 MET A 25 -8.437 -0.389 2.535 1.00 71.43 H new ATOM 0 HB3 MET A 25 -9.071 -1.498 1.336 1.00 71.43 H new ATOM 0 HG2 MET A 25 -9.999 0.272 0.028 1.00 52.41 H new ATOM 0 HG3 MET A 25 -9.805 1.438 1.322 1.00 52.41 H new ATOM 0 HE1 MET A 25 -6.494 -0.252 -1.397 1.00 5.24 H new ATOM 0 HE2 MET A 25 -7.889 -1.157 -0.763 1.00 5.24 H new ATOM 0 HE3 MET A 25 -8.135 0.123 -1.975 1.00 5.24 H new ATOM 378 N LYS A 26 -10.289 1.456 3.705 1.00 32.42 N ATOM 379 CA LYS A 26 -10.702 2.793 4.114 1.00 31.11 C ATOM 380 C LYS A 26 -10.070 3.855 3.220 1.00 21.20 C ATOM 381 O LYS A 26 -10.717 4.836 2.852 1.00 22.41 O ATOM 382 CB LYS A 26 -10.316 3.044 5.574 1.00 53.24 C ATOM 383 CG LYS A 26 -11.509 3.146 6.509 1.00 4.10 C ATOM 384 CD LYS A 26 -11.286 2.352 7.785 1.00 23.21 C ATOM 385 CE LYS A 26 -10.608 3.194 8.855 1.00 42.33 C ATOM 386 NZ LYS A 26 -11.237 3.005 10.191 1.00 23.32 N ATOM 0 H LYS A 26 -9.330 1.216 3.957 1.00 32.42 H new ATOM 0 HA LYS A 26 -11.786 2.858 4.015 1.00 31.11 H new ATOM 0 HB2 LYS A 26 -9.667 2.237 5.913 1.00 53.24 H new ATOM 0 HB3 LYS A 26 -9.737 3.966 5.635 1.00 53.24 H new ATOM 0 HG2 LYS A 26 -11.690 4.192 6.757 1.00 4.10 H new ATOM 0 HG3 LYS A 26 -12.402 2.780 6.003 1.00 4.10 H new ATOM 0 HD2 LYS A 26 -12.242 1.987 8.160 1.00 23.21 H new ATOM 0 HD3 LYS A 26 -10.674 1.477 7.568 1.00 23.21 H new ATOM 0 HE2 LYS A 26 -9.552 2.929 8.910 1.00 42.33 H new ATOM 0 HE3 LYS A 26 -10.659 4.246 8.575 1.00 42.33 H new ATOM 0 HZ1 LYS A 26 -10.746 3.596 10.892 1.00 23.32 H new ATOM 0 HZ2 LYS A 26 -12.239 3.281 10.145 1.00 23.32 H new ATOM 0 HZ3 LYS A 26 -11.166 2.006 10.470 1.00 23.32 H new ATOM 400 N TYR A 27 -8.804 3.652 2.873 1.00 22.11 N ATOM 401 CA TYR A 27 -8.084 4.593 2.023 1.00 73.44 C ATOM 402 C TYR A 27 -6.854 3.936 1.404 1.00 3.41 C ATOM 403 O TYR A 27 -6.236 3.057 2.006 1.00 62.24 O ATOM 404 CB TYR A 27 -7.669 5.825 2.827 1.00 3.23 C ATOM 405 CG TYR A 27 -7.290 5.515 4.258 1.00 65.03 C ATOM 406 CD1 TYR A 27 -6.116 4.833 4.553 1.00 25.03 C ATOM 407 CD2 TYR A 27 -8.105 5.903 5.313 1.00 33.23 C ATOM 408 CE1 TYR A 27 -5.765 4.547 5.859 1.00 72.44 C ATOM 409 CE2 TYR A 27 -7.762 5.622 6.622 1.00 52.04 C ATOM 410 CZ TYR A 27 -6.591 4.944 6.889 1.00 35.42 C ATOM 411 OH TYR A 27 -6.247 4.661 8.191 1.00 21.21 O ATOM 0 H TYR A 27 -8.255 2.844 3.167 1.00 22.11 H new ATOM 0 HA TYR A 27 -8.752 4.902 1.219 1.00 73.44 H new ATOM 0 HB2 TYR A 27 -6.824 6.304 2.332 1.00 3.23 H new ATOM 0 HB3 TYR A 27 -8.489 6.543 2.825 1.00 3.23 H new ATOM 0 HD1 TYR A 27 -5.467 4.521 3.748 1.00 25.03 H new ATOM 0 HD2 TYR A 27 -9.023 6.434 5.107 1.00 33.23 H new ATOM 0 HE1 TYR A 27 -4.849 4.016 6.071 1.00 72.44 H new ATOM 0 HE2 TYR A 27 -8.407 5.931 7.431 1.00 52.04 H new ATOM 0 HH TYR A 27 -6.935 5.010 8.795 1.00 21.21 H new ATOM 421 N LEU A 28 -6.503 4.371 0.199 1.00 63.12 N ATOM 422 CA LEU A 28 -5.345 3.827 -0.503 1.00 52.53 C ATOM 423 C LEU A 28 -4.239 4.871 -0.619 1.00 1.13 C ATOM 424 O LEU A 28 -4.465 5.979 -1.105 1.00 4.42 O ATOM 425 CB LEU A 28 -5.751 3.341 -1.896 1.00 4.41 C ATOM 426 CG LEU A 28 -4.761 3.636 -3.024 1.00 55.21 C ATOM 427 CD1 LEU A 28 -3.491 2.820 -2.847 1.00 23.33 C ATOM 428 CD2 LEU A 28 -5.396 3.351 -4.378 1.00 1.54 C ATOM 0 H LEU A 28 -7.003 5.098 -0.312 1.00 63.12 H new ATOM 0 HA LEU A 28 -4.964 2.984 0.073 1.00 52.53 H new ATOM 0 HB2 LEU A 28 -5.910 2.264 -1.851 1.00 4.41 H new ATOM 0 HB3 LEU A 28 -6.709 3.794 -2.152 1.00 4.41 H new ATOM 0 HG LEU A 28 -4.497 4.693 -2.983 1.00 55.21 H new ATOM 0 HD11 LEU A 28 -2.799 3.043 -3.659 1.00 23.33 H new ATOM 0 HD12 LEU A 28 -3.026 3.073 -1.894 1.00 23.33 H new ATOM 0 HD13 LEU A 28 -3.736 1.758 -2.861 1.00 23.33 H new ATOM 0 HD21 LEU A 28 -4.678 3.566 -5.169 1.00 1.54 H new ATOM 0 HD22 LEU A 28 -5.689 2.302 -4.429 1.00 1.54 H new ATOM 0 HD23 LEU A 28 -6.277 3.980 -4.506 1.00 1.54 H new ATOM 440 N VAL A 29 -3.041 4.509 -0.170 1.00 72.42 N ATOM 441 CA VAL A 29 -1.898 5.412 -0.226 1.00 52.11 C ATOM 442 C VAL A 29 -0.702 4.744 -0.894 1.00 41.24 C ATOM 443 O VAL A 29 -0.267 3.669 -0.482 1.00 34.43 O ATOM 444 CB VAL A 29 -1.488 5.886 1.181 1.00 61.21 C ATOM 445 CG1 VAL A 29 -0.240 6.752 1.110 1.00 25.10 C ATOM 446 CG2 VAL A 29 -2.632 6.638 1.844 1.00 42.20 C ATOM 0 H VAL A 29 -2.837 3.596 0.237 1.00 72.42 H new ATOM 0 HA VAL A 29 -2.205 6.275 -0.817 1.00 52.11 H new ATOM 0 HB VAL A 29 -1.259 5.010 1.788 1.00 61.21 H new ATOM 0 HG11 VAL A 29 0.035 7.078 2.113 1.00 25.10 H new ATOM 0 HG12 VAL A 29 0.579 6.176 0.679 1.00 25.10 H new ATOM 0 HG13 VAL A 29 -0.437 7.624 0.487 1.00 25.10 H new ATOM 0 HG21 VAL A 29 -2.325 6.966 2.837 1.00 42.20 H new ATOM 0 HG22 VAL A 29 -2.894 7.507 1.240 1.00 42.20 H new ATOM 0 HG23 VAL A 29 -3.498 5.981 1.930 1.00 42.20 H new ATOM 456 N TYR A 30 -0.173 5.389 -1.929 1.00 31.35 N ATOM 457 CA TYR A 30 0.973 4.856 -2.656 1.00 52.42 C ATOM 458 C TYR A 30 1.788 5.981 -3.287 1.00 2.23 C ATOM 459 O TYR A 30 1.276 7.074 -3.526 1.00 53.12 O ATOM 460 CB TYR A 30 0.508 3.880 -3.738 1.00 52.21 C ATOM 461 CG TYR A 30 -0.080 4.559 -4.954 1.00 50.43 C ATOM 462 CD1 TYR A 30 0.730 4.957 -6.011 1.00 53.32 C ATOM 463 CD2 TYR A 30 -1.445 4.804 -5.046 1.00 45.25 C ATOM 464 CE1 TYR A 30 0.197 5.579 -7.124 1.00 63.12 C ATOM 465 CE2 TYR A 30 -1.986 5.424 -6.156 1.00 62.32 C ATOM 466 CZ TYR A 30 -1.161 5.809 -7.192 1.00 41.42 C ATOM 467 OH TYR A 30 -1.696 6.428 -8.299 1.00 10.13 O ATOM 0 H TYR A 30 -0.520 6.281 -2.283 1.00 31.35 H new ATOM 0 HA TYR A 30 1.607 4.326 -1.946 1.00 52.42 H new ATOM 0 HB2 TYR A 30 1.353 3.265 -4.049 1.00 52.21 H new ATOM 0 HB3 TYR A 30 -0.236 3.207 -3.313 1.00 52.21 H new ATOM 0 HD1 TYR A 30 1.794 4.777 -5.962 1.00 53.32 H new ATOM 0 HD2 TYR A 30 -2.094 4.505 -4.236 1.00 45.25 H new ATOM 0 HE1 TYR A 30 0.841 5.883 -7.936 1.00 63.12 H new ATOM 0 HE2 TYR A 30 -3.049 5.606 -6.212 1.00 62.32 H new ATOM 0 HH TYR A 30 -2.322 7.126 -8.013 1.00 10.13 H new ATOM 477 N GLN A 31 3.060 5.703 -3.553 1.00 4.41 N ATOM 478 CA GLN A 31 3.948 6.691 -4.156 1.00 15.34 C ATOM 479 C GLN A 31 4.775 6.069 -5.276 1.00 34.34 C ATOM 480 O GLN A 31 4.974 4.854 -5.314 1.00 74.02 O ATOM 481 CB GLN A 31 4.873 7.291 -3.095 1.00 54.23 C ATOM 482 CG GLN A 31 5.869 6.296 -2.524 1.00 22.41 C ATOM 483 CD GLN A 31 7.225 6.917 -2.254 1.00 44.02 C ATOM 484 OE1 GLN A 31 8.078 6.985 -3.140 1.00 74.45 O ATOM 485 NE2 GLN A 31 7.433 7.375 -1.025 1.00 40.53 N ATOM 0 H GLN A 31 3.499 4.803 -3.361 1.00 4.41 H new ATOM 0 HA GLN A 31 3.333 7.484 -4.582 1.00 15.34 H new ATOM 0 HB2 GLN A 31 5.418 8.128 -3.531 1.00 54.23 H new ATOM 0 HB3 GLN A 31 4.268 7.693 -2.283 1.00 54.23 H new ATOM 0 HG2 GLN A 31 5.472 5.882 -1.597 1.00 22.41 H new ATOM 0 HG3 GLN A 31 5.986 5.465 -3.220 1.00 22.41 H new ATOM 0 HE21 GLN A 31 6.699 7.299 -0.321 1.00 40.53 H new ATOM 0 HE22 GLN A 31 8.327 7.803 -0.785 1.00 40.53 H new ATOM 494 N THR A 32 5.255 6.909 -6.187 1.00 71.12 N ATOM 495 CA THR A 32 6.059 6.441 -7.309 1.00 41.21 C ATOM 496 C THR A 32 7.547 6.513 -6.986 1.00 62.44 C ATOM 497 O THR A 32 8.032 7.520 -6.471 1.00 72.44 O ATOM 498 CB THR A 32 5.781 7.264 -8.581 1.00 42.31 C ATOM 499 OG1 THR A 32 4.518 7.930 -8.468 1.00 63.51 O ATOM 500 CG2 THR A 32 5.782 6.373 -9.814 1.00 32.54 C ATOM 0 H THR A 32 5.101 7.917 -6.170 1.00 71.12 H new ATOM 0 HA THR A 32 5.778 5.403 -7.488 1.00 41.21 H new ATOM 0 HB THR A 32 6.573 8.005 -8.688 1.00 42.31 H new ATOM 0 HG1 THR A 32 3.847 7.303 -8.127 1.00 63.51 H new ATOM 0 HG21 THR A 32 5.583 6.977 -10.699 1.00 32.54 H new ATOM 0 HG22 THR A 32 6.755 5.891 -9.914 1.00 32.54 H new ATOM 0 HG23 THR A 32 5.009 5.612 -9.713 1.00 32.54 H new ATOM 508 N GLU A 33 8.267 5.438 -7.293 1.00 71.22 N ATOM 509 CA GLU A 33 9.701 5.380 -7.035 1.00 12.20 C ATOM 510 C GLU A 33 10.459 4.921 -8.277 1.00 23.32 C ATOM 511 O GLU A 33 9.901 4.250 -9.144 1.00 73.31 O ATOM 512 CB GLU A 33 9.994 4.436 -5.867 1.00 13.42 C ATOM 513 CG GLU A 33 9.942 5.115 -4.508 1.00 40.13 C ATOM 514 CD GLU A 33 9.025 4.401 -3.534 1.00 41.30 C ATOM 515 OE1 GLU A 33 7.996 3.853 -3.980 1.00 52.11 O ATOM 516 OE2 GLU A 33 9.338 4.391 -2.325 1.00 12.01 O ATOM 0 H GLU A 33 7.881 4.596 -7.720 1.00 71.22 H new ATOM 0 HA GLU A 33 10.038 6.383 -6.775 1.00 12.20 H new ATOM 0 HB2 GLU A 33 9.274 3.618 -5.883 1.00 13.42 H new ATOM 0 HB3 GLU A 33 10.981 3.995 -6.006 1.00 13.42 H new ATOM 0 HG2 GLU A 33 10.947 5.159 -4.089 1.00 40.13 H new ATOM 0 HG3 GLU A 33 9.603 6.144 -4.633 1.00 40.13 H new ATOM 523 N GLN A 34 11.734 5.288 -8.354 1.00 23.01 N ATOM 524 CA GLN A 34 12.569 4.915 -9.490 1.00 20.43 C ATOM 525 C GLN A 34 13.475 3.740 -9.136 1.00 70.45 C ATOM 526 O GLN A 34 14.017 3.670 -8.034 1.00 52.02 O ATOM 527 CB GLN A 34 13.413 6.107 -9.943 1.00 25.22 C ATOM 528 CG GLN A 34 13.419 6.311 -11.449 1.00 60.02 C ATOM 529 CD GLN A 34 14.615 7.112 -11.925 1.00 53.11 C ATOM 530 OE1 GLN A 34 14.468 8.099 -12.647 1.00 31.11 O ATOM 531 NE2 GLN A 34 15.808 6.691 -11.522 1.00 40.23 N ATOM 0 H GLN A 34 12.211 5.843 -7.644 1.00 23.01 H new ATOM 0 HA GLN A 34 11.914 4.612 -10.307 1.00 20.43 H new ATOM 0 HB2 GLN A 34 13.037 7.011 -9.464 1.00 25.22 H new ATOM 0 HB3 GLN A 34 14.438 5.967 -9.600 1.00 25.22 H new ATOM 0 HG2 GLN A 34 13.417 5.340 -11.943 1.00 60.02 H new ATOM 0 HG3 GLN A 34 12.503 6.822 -11.746 1.00 60.02 H new ATOM 0 HE21 GLN A 34 15.883 5.868 -10.924 1.00 40.23 H new ATOM 0 HE22 GLN A 34 16.649 7.190 -11.810 1.00 40.23 H new ATOM 540 N GLY A 35 13.635 2.817 -10.080 1.00 74.15 N ATOM 541 CA GLY A 35 14.475 1.657 -9.849 1.00 61.32 C ATOM 542 C GLY A 35 14.209 0.541 -10.840 1.00 33.11 C ATOM 543 O GLY A 35 13.303 0.641 -11.667 1.00 62.51 O ATOM 0 H GLY A 35 13.197 2.852 -11.001 1.00 74.15 H new ATOM 0 HA2 GLY A 35 15.522 1.952 -9.912 1.00 61.32 H new ATOM 0 HA3 GLY A 35 14.308 1.287 -8.837 1.00 61.32 H new ATOM 547 N GLU A 36 15.000 -0.524 -10.757 1.00 45.31 N ATOM 548 CA GLU A 36 14.846 -1.662 -11.656 1.00 1.41 C ATOM 549 C GLU A 36 14.490 -1.197 -13.065 1.00 74.21 C ATOM 550 O GLU A 36 13.316 -1.131 -13.430 1.00 62.20 O ATOM 551 CB GLU A 36 13.767 -2.611 -11.132 1.00 32.13 C ATOM 552 CG GLU A 36 12.501 -1.903 -10.677 1.00 65.15 C ATOM 553 CD GLU A 36 11.433 -2.867 -10.199 1.00 61.15 C ATOM 554 OE1 GLU A 36 11.478 -4.049 -10.601 1.00 45.23 O ATOM 555 OE2 GLU A 36 10.552 -2.440 -9.424 1.00 71.45 O ATOM 0 H GLU A 36 15.754 -0.623 -10.077 1.00 45.31 H new ATOM 0 HA GLU A 36 15.797 -2.192 -11.697 1.00 1.41 H new ATOM 0 HB2 GLU A 36 13.512 -3.325 -11.915 1.00 32.13 H new ATOM 0 HB3 GLU A 36 14.173 -3.183 -10.298 1.00 32.13 H new ATOM 0 HG2 GLU A 36 12.746 -1.210 -9.872 1.00 65.15 H new ATOM 0 HG3 GLU A 36 12.106 -1.308 -11.501 1.00 65.15 H new ATOM 562 N ALA A 37 15.511 -0.876 -13.852 1.00 62.01 N ATOM 563 CA ALA A 37 15.307 -0.419 -15.221 1.00 72.52 C ATOM 564 C ALA A 37 14.588 0.925 -15.250 1.00 40.10 C ATOM 565 O ALA A 37 14.120 1.412 -14.222 1.00 3.13 O ATOM 566 CB ALA A 37 14.523 -1.456 -16.012 1.00 33.43 C ATOM 0 H ALA A 37 16.489 -0.924 -13.565 1.00 62.01 H new ATOM 0 HA ALA A 37 16.285 -0.288 -15.684 1.00 72.52 H new ATOM 0 HB1 ALA A 37 14.378 -1.102 -17.033 1.00 33.43 H new ATOM 0 HB2 ALA A 37 15.076 -2.395 -16.029 1.00 33.43 H new ATOM 0 HB3 ALA A 37 13.553 -1.615 -15.542 1.00 33.43 H new ATOM 572 N GLY A 38 14.504 1.521 -16.436 1.00 4.23 N ATOM 573 CA GLY A 38 13.842 2.805 -16.576 1.00 31.34 C ATOM 574 C GLY A 38 12.452 2.809 -15.971 1.00 73.43 C ATOM 575 O GLY A 38 12.015 3.812 -15.410 1.00 13.20 O ATOM 0 H GLY A 38 14.883 1.137 -17.302 1.00 4.23 H new ATOM 0 HA2 GLY A 38 14.446 3.576 -16.097 1.00 31.34 H new ATOM 0 HA3 GLY A 38 13.776 3.063 -17.633 1.00 31.34 H new ATOM 579 N ASN A 39 11.754 1.683 -16.088 1.00 4.13 N ATOM 580 CA ASN A 39 10.404 1.561 -15.550 1.00 42.52 C ATOM 581 C ASN A 39 10.362 1.983 -14.084 1.00 62.44 C ATOM 582 O ASN A 39 11.402 2.136 -13.442 1.00 73.52 O ATOM 583 CB ASN A 39 9.903 0.123 -15.694 1.00 24.13 C ATOM 584 CG ASN A 39 10.215 -0.465 -17.057 1.00 3.35 C ATOM 585 OD1 ASN A 39 10.126 0.221 -18.075 1.00 62.44 O ATOM 586 ND2 ASN A 39 10.583 -1.740 -17.080 1.00 62.45 N ATOM 0 H ASN A 39 12.101 0.843 -16.550 1.00 4.13 H new ATOM 0 HA ASN A 39 9.752 2.224 -16.119 1.00 42.52 H new ATOM 0 HB2 ASN A 39 10.358 -0.496 -14.921 1.00 24.13 H new ATOM 0 HB3 ASN A 39 8.826 0.098 -15.529 1.00 24.13 H new ATOM 0 HD21 ASN A 39 10.806 -2.190 -17.968 1.00 62.45 H new ATOM 0 HD22 ASN A 39 10.643 -2.269 -16.210 1.00 62.45 H new ATOM 593 N ILE A 40 9.155 2.168 -13.562 1.00 74.41 N ATOM 594 CA ILE A 40 8.977 2.569 -12.172 1.00 43.22 C ATOM 595 C ILE A 40 8.198 1.517 -11.391 1.00 75.01 C ATOM 596 O ILE A 40 7.595 0.615 -11.974 1.00 64.13 O ATOM 597 CB ILE A 40 8.244 3.919 -12.065 1.00 43.54 C ATOM 598 CG1 ILE A 40 7.018 3.932 -12.980 1.00 13.41 C ATOM 599 CG2 ILE A 40 9.185 5.062 -12.416 1.00 43.21 C ATOM 600 CD1 ILE A 40 6.296 5.262 -13.004 1.00 61.43 C ATOM 0 H ILE A 40 8.285 2.047 -14.081 1.00 74.41 H new ATOM 0 HA ILE A 40 9.974 2.671 -11.743 1.00 43.22 H new ATOM 0 HB ILE A 40 7.908 4.053 -11.037 1.00 43.54 H new ATOM 0 HG12 ILE A 40 7.328 3.678 -13.994 1.00 13.41 H new ATOM 0 HG13 ILE A 40 6.324 3.157 -12.655 1.00 13.41 H new ATOM 0 HG21 ILE A 40 8.652 6.010 -12.336 1.00 43.21 H new ATOM 0 HG22 ILE A 40 10.030 5.062 -11.728 1.00 43.21 H new ATOM 0 HG23 ILE A 40 9.547 4.935 -13.436 1.00 43.21 H new ATOM 0 HD11 ILE A 40 5.438 5.198 -13.673 1.00 61.43 H new ATOM 0 HD12 ILE A 40 5.955 5.509 -11.999 1.00 61.43 H new ATOM 0 HD13 ILE A 40 6.975 6.038 -13.358 1.00 61.43 H new ATOM 612 N HIS A 41 8.211 1.640 -10.068 1.00 22.55 N ATOM 613 CA HIS A 41 7.503 0.700 -9.205 1.00 50.14 C ATOM 614 C HIS A 41 6.607 1.440 -8.217 1.00 35.42 C ATOM 615 O HIS A 41 6.907 2.563 -7.811 1.00 74.41 O ATOM 616 CB HIS A 41 8.498 -0.181 -8.449 1.00 41.32 C ATOM 617 CG HIS A 41 9.745 0.540 -8.039 1.00 42.44 C ATOM 618 ND1 HIS A 41 10.991 -0.050 -8.041 1.00 61.32 N ATOM 619 CD2 HIS A 41 9.934 1.812 -7.615 1.00 32.32 C ATOM 620 CE1 HIS A 41 11.892 0.826 -7.634 1.00 31.13 C ATOM 621 NE2 HIS A 41 11.276 1.964 -7.369 1.00 42.00 N ATOM 0 H HIS A 41 8.704 2.381 -9.570 1.00 22.55 H new ATOM 0 HA HIS A 41 6.876 0.068 -9.834 1.00 50.14 H new ATOM 0 HB2 HIS A 41 8.012 -0.584 -7.560 1.00 41.32 H new ATOM 0 HB3 HIS A 41 8.769 -1.030 -9.077 1.00 41.32 H new ATOM 0 HD1 HIS A 41 11.187 -1.013 -8.314 1.00 61.32 H new ATOM 0 HD2 HIS A 41 9.171 2.567 -7.493 1.00 32.32 H new ATOM 0 HE1 HIS A 41 12.952 0.643 -7.535 1.00 31.13 H new ATOM 629 N PHE A 42 5.505 0.803 -7.834 1.00 31.24 N ATOM 630 CA PHE A 42 4.564 1.401 -6.894 1.00 32.11 C ATOM 631 C PHE A 42 4.759 0.831 -5.492 1.00 35.10 C ATOM 632 O PHE A 42 4.790 -0.385 -5.305 1.00 5.03 O ATOM 633 CB PHE A 42 3.126 1.162 -7.358 1.00 55.44 C ATOM 634 CG PHE A 42 2.664 2.137 -8.403 1.00 55.43 C ATOM 635 CD1 PHE A 42 3.546 2.623 -9.355 1.00 74.22 C ATOM 636 CD2 PHE A 42 1.347 2.569 -8.433 1.00 42.04 C ATOM 637 CE1 PHE A 42 3.124 3.520 -10.318 1.00 73.14 C ATOM 638 CE2 PHE A 42 0.919 3.465 -9.394 1.00 45.53 C ATOM 639 CZ PHE A 42 1.809 3.942 -10.337 1.00 40.52 C ATOM 0 H PHE A 42 5.242 -0.127 -8.160 1.00 31.24 H new ATOM 0 HA PHE A 42 4.755 2.474 -6.861 1.00 32.11 H new ATOM 0 HB2 PHE A 42 3.044 0.150 -7.755 1.00 55.44 H new ATOM 0 HB3 PHE A 42 2.460 1.222 -6.497 1.00 55.44 H new ATOM 0 HD1 PHE A 42 4.576 2.297 -9.344 1.00 74.22 H new ATOM 0 HD2 PHE A 42 0.648 2.201 -7.697 1.00 42.04 H new ATOM 0 HE1 PHE A 42 3.822 3.890 -11.055 1.00 73.14 H new ATOM 0 HE2 PHE A 42 -0.110 3.792 -9.408 1.00 45.53 H new ATOM 0 HZ PHE A 42 1.477 4.644 -11.088 1.00 40.52 H new ATOM 649 N GLN A 43 4.889 1.719 -4.512 1.00 33.25 N ATOM 650 CA GLN A 43 5.082 1.304 -3.127 1.00 14.41 C ATOM 651 C GLN A 43 4.348 2.240 -2.171 1.00 61.15 C ATOM 652 O GLN A 43 4.396 3.460 -2.322 1.00 62.13 O ATOM 653 CB GLN A 43 6.572 1.273 -2.785 1.00 21.22 C ATOM 654 CG GLN A 43 7.090 -0.117 -2.451 1.00 45.23 C ATOM 655 CD GLN A 43 8.604 -0.198 -2.481 1.00 0.32 C ATOM 656 OE1 GLN A 43 9.249 -0.363 -1.445 1.00 12.52 O ATOM 657 NE2 GLN A 43 9.180 -0.082 -3.672 1.00 22.14 N ATOM 0 H GLN A 43 4.864 2.729 -4.651 1.00 33.25 H new ATOM 0 HA GLN A 43 4.669 0.302 -3.013 1.00 14.41 H new ATOM 0 HB2 GLN A 43 7.138 1.670 -3.628 1.00 21.22 H new ATOM 0 HB3 GLN A 43 6.756 1.934 -1.938 1.00 21.22 H new ATOM 0 HG2 GLN A 43 6.734 -0.405 -1.462 1.00 45.23 H new ATOM 0 HG3 GLN A 43 6.677 -0.835 -3.160 1.00 45.23 H new ATOM 0 HE21 GLN A 43 8.607 0.054 -4.505 1.00 22.14 H new ATOM 0 HE22 GLN A 43 10.196 -0.129 -3.754 1.00 22.14 H new ATOM 666 N GLY A 44 3.669 1.659 -1.187 1.00 75.02 N ATOM 667 CA GLY A 44 2.934 2.456 -0.222 1.00 70.20 C ATOM 668 C GLY A 44 2.289 1.609 0.857 1.00 15.42 C ATOM 669 O GLY A 44 2.610 0.430 1.006 1.00 13.11 O ATOM 0 H GLY A 44 3.615 0.651 -1.041 1.00 75.02 H new ATOM 0 HA2 GLY A 44 3.610 3.176 0.240 1.00 70.20 H new ATOM 0 HA3 GLY A 44 2.164 3.029 -0.739 1.00 70.20 H new ATOM 673 N TYR A 45 1.377 2.212 1.613 1.00 23.31 N ATOM 674 CA TYR A 45 0.688 1.507 2.687 1.00 21.52 C ATOM 675 C TYR A 45 -0.824 1.559 2.491 1.00 0.42 C ATOM 676 O TYR A 45 -1.391 2.622 2.233 1.00 64.42 O ATOM 677 CB TYR A 45 1.059 2.111 4.043 1.00 63.44 C ATOM 678 CG TYR A 45 2.259 1.455 4.689 1.00 13.44 C ATOM 679 CD1 TYR A 45 2.157 0.201 5.277 1.00 61.40 C ATOM 680 CD2 TYR A 45 3.494 2.091 4.712 1.00 10.31 C ATOM 681 CE1 TYR A 45 3.250 -0.401 5.870 1.00 62.23 C ATOM 682 CE2 TYR A 45 4.593 1.496 5.301 1.00 11.53 C ATOM 683 CZ TYR A 45 4.466 0.251 5.879 1.00 32.52 C ATOM 684 OH TYR A 45 5.557 -0.346 6.467 1.00 24.24 O ATOM 0 H TYR A 45 1.098 3.187 1.501 1.00 23.31 H new ATOM 0 HA TYR A 45 1.004 0.464 2.663 1.00 21.52 H new ATOM 0 HB2 TYR A 45 1.262 3.174 3.915 1.00 63.44 H new ATOM 0 HB3 TYR A 45 0.204 2.028 4.715 1.00 63.44 H new ATOM 0 HD1 TYR A 45 1.207 -0.312 5.271 1.00 61.40 H new ATOM 0 HD2 TYR A 45 3.597 3.067 4.262 1.00 10.31 H new ATOM 0 HE1 TYR A 45 3.153 -1.376 6.324 1.00 62.23 H new ATOM 0 HE2 TYR A 45 5.546 2.003 5.309 1.00 11.53 H new ATOM 0 HH TYR A 45 6.293 0.299 6.522 1.00 24.24 H new ATOM 694 N ILE A 46 -1.471 0.406 2.617 1.00 62.54 N ATOM 695 CA ILE A 46 -2.917 0.320 2.455 1.00 21.43 C ATOM 696 C ILE A 46 -3.573 -0.282 3.693 1.00 32.51 C ATOM 697 O ILE A 46 -3.194 -1.362 4.145 1.00 4.15 O ATOM 698 CB ILE A 46 -3.297 -0.525 1.225 1.00 41.34 C ATOM 699 CG1 ILE A 46 -2.641 0.046 -0.035 1.00 31.24 C ATOM 700 CG2 ILE A 46 -4.809 -0.576 1.064 1.00 21.30 C ATOM 701 CD1 ILE A 46 -2.683 -0.896 -1.218 1.00 33.04 C ATOM 0 H ILE A 46 -1.017 -0.482 2.831 1.00 62.54 H new ATOM 0 HA ILE A 46 -3.280 1.338 2.312 1.00 21.43 H new ATOM 0 HB ILE A 46 -2.932 -1.541 1.374 1.00 41.34 H new ATOM 0 HG12 ILE A 46 -3.140 0.977 -0.304 1.00 31.24 H new ATOM 0 HG13 ILE A 46 -1.603 0.293 0.186 1.00 31.24 H new ATOM 0 HG21 ILE A 46 -5.062 -1.177 0.190 1.00 21.30 H new ATOM 0 HG22 ILE A 46 -5.255 -1.023 1.953 1.00 21.30 H new ATOM 0 HG23 ILE A 46 -5.195 0.435 0.933 1.00 21.30 H new ATOM 0 HD11 ILE A 46 -2.200 -0.426 -2.075 1.00 33.04 H new ATOM 0 HD12 ILE A 46 -2.159 -1.818 -0.967 1.00 33.04 H new ATOM 0 HD13 ILE A 46 -3.720 -1.124 -1.465 1.00 33.04 H new ATOM 713 N GLU A 47 -4.561 0.423 4.235 1.00 74.13 N ATOM 714 CA GLU A 47 -5.271 -0.043 5.420 1.00 74.31 C ATOM 715 C GLU A 47 -6.651 -0.582 5.051 1.00 2.21 C ATOM 716 O GLU A 47 -7.495 0.148 4.531 1.00 65.51 O ATOM 717 CB GLU A 47 -5.410 1.091 6.438 1.00 70.23 C ATOM 718 CG GLU A 47 -4.101 1.469 7.109 1.00 3.14 C ATOM 719 CD GLU A 47 -4.062 1.078 8.574 1.00 70.11 C ATOM 720 OE1 GLU A 47 -4.354 -0.096 8.883 1.00 14.00 O ATOM 721 OE2 GLU A 47 -3.739 1.947 9.411 1.00 22.30 O ATOM 0 H GLU A 47 -4.888 1.319 3.872 1.00 74.13 H new ATOM 0 HA GLU A 47 -4.691 -0.852 5.865 1.00 74.31 H new ATOM 0 HB2 GLU A 47 -5.819 1.969 5.938 1.00 70.23 H new ATOM 0 HB3 GLU A 47 -6.129 0.796 7.203 1.00 70.23 H new ATOM 0 HG2 GLU A 47 -3.276 0.986 6.586 1.00 3.14 H new ATOM 0 HG3 GLU A 47 -3.949 2.545 7.020 1.00 3.14 H new ATOM 728 N MET A 48 -6.871 -1.864 5.324 1.00 14.40 N ATOM 729 CA MET A 48 -8.148 -2.500 5.022 1.00 72.24 C ATOM 730 C MET A 48 -9.187 -2.169 6.088 1.00 11.32 C ATOM 731 O MET A 48 -8.900 -1.453 7.048 1.00 20.43 O ATOM 732 CB MET A 48 -7.974 -4.016 4.916 1.00 31.54 C ATOM 733 CG MET A 48 -7.116 -4.449 3.739 1.00 71.44 C ATOM 734 SD MET A 48 -8.052 -5.358 2.494 1.00 33.43 S ATOM 735 CE MET A 48 -8.674 -4.013 1.489 1.00 53.11 C ATOM 0 H MET A 48 -6.182 -2.482 5.753 1.00 14.40 H new ATOM 0 HA MET A 48 -8.500 -2.114 4.065 1.00 72.24 H new ATOM 0 HB2 MET A 48 -7.526 -4.387 5.838 1.00 31.54 H new ATOM 0 HB3 MET A 48 -8.956 -4.481 4.829 1.00 31.54 H new ATOM 0 HG2 MET A 48 -6.666 -3.569 3.279 1.00 71.44 H new ATOM 0 HG3 MET A 48 -6.298 -5.073 4.100 1.00 71.44 H new ATOM 0 HE1 MET A 48 -9.737 -3.874 1.685 1.00 53.11 H new ATOM 0 HE2 MET A 48 -8.137 -3.097 1.735 1.00 53.11 H new ATOM 0 HE3 MET A 48 -8.527 -4.248 0.435 1.00 53.11 H new ATOM 745 N LYS A 49 -10.396 -2.693 5.914 1.00 45.22 N ATOM 746 CA LYS A 49 -11.478 -2.454 6.861 1.00 3.23 C ATOM 747 C LYS A 49 -11.055 -2.834 8.277 1.00 73.12 C ATOM 748 O LYS A 49 -11.058 -2.000 9.182 1.00 11.41 O ATOM 749 CB LYS A 49 -12.721 -3.249 6.458 1.00 74.12 C ATOM 750 CG LYS A 49 -13.999 -2.429 6.473 1.00 14.40 C ATOM 751 CD LYS A 49 -15.100 -3.096 5.665 1.00 10.32 C ATOM 752 CE LYS A 49 -15.802 -2.102 4.752 1.00 65.10 C ATOM 753 NZ LYS A 49 -17.043 -1.561 5.371 1.00 51.22 N ATOM 0 H LYS A 49 -10.651 -3.287 5.125 1.00 45.22 H new ATOM 0 HA LYS A 49 -11.714 -1.390 6.844 1.00 3.23 H new ATOM 0 HB2 LYS A 49 -12.573 -3.657 5.458 1.00 74.12 H new ATOM 0 HB3 LYS A 49 -12.835 -4.096 7.134 1.00 74.12 H new ATOM 0 HG2 LYS A 49 -14.333 -2.293 7.502 1.00 14.40 H new ATOM 0 HG3 LYS A 49 -13.800 -1.436 6.069 1.00 14.40 H new ATOM 0 HD2 LYS A 49 -14.676 -3.904 5.068 1.00 10.32 H new ATOM 0 HD3 LYS A 49 -15.827 -3.547 6.341 1.00 10.32 H new ATOM 0 HE2 LYS A 49 -15.124 -1.281 4.520 1.00 65.10 H new ATOM 0 HE3 LYS A 49 -16.049 -2.588 3.808 1.00 65.10 H new ATOM 0 HZ1 LYS A 49 -17.492 -0.888 4.718 1.00 51.22 H new ATOM 0 HZ2 LYS A 49 -17.701 -2.342 5.569 1.00 51.22 H new ATOM 0 HZ3 LYS A 49 -16.805 -1.075 6.259 1.00 51.22 H new ATOM 767 N LYS A 50 -10.691 -4.099 8.461 1.00 11.51 N ATOM 768 CA LYS A 50 -10.263 -4.590 9.766 1.00 50.44 C ATOM 769 C LYS A 50 -9.910 -6.072 9.700 1.00 74.21 C ATOM 770 O LYS A 50 -8.737 -6.443 9.737 1.00 11.04 O ATOM 771 CB LYS A 50 -11.363 -4.362 10.805 1.00 4.53 C ATOM 772 CG LYS A 50 -10.989 -3.348 11.873 1.00 21.55 C ATOM 773 CD LYS A 50 -12.171 -3.022 12.770 1.00 13.22 C ATOM 774 CE LYS A 50 -12.702 -1.621 12.504 1.00 33.54 C ATOM 775 NZ LYS A 50 -13.938 -1.339 13.286 1.00 72.33 N ATOM 0 H LYS A 50 -10.684 -4.803 7.723 1.00 11.51 H new ATOM 0 HA LYS A 50 -9.372 -4.035 10.061 1.00 50.44 H new ATOM 0 HB2 LYS A 50 -12.267 -4.026 10.297 1.00 4.53 H new ATOM 0 HB3 LYS A 50 -11.601 -5.311 11.285 1.00 4.53 H new ATOM 0 HG2 LYS A 50 -10.170 -3.739 12.477 1.00 21.55 H new ATOM 0 HG3 LYS A 50 -10.628 -2.435 11.399 1.00 21.55 H new ATOM 0 HD2 LYS A 50 -12.965 -3.751 12.607 1.00 13.22 H new ATOM 0 HD3 LYS A 50 -11.871 -3.106 13.814 1.00 13.22 H new ATOM 0 HE2 LYS A 50 -11.936 -0.888 12.758 1.00 33.54 H new ATOM 0 HE3 LYS A 50 -12.911 -1.508 11.440 1.00 33.54 H new ATOM 0 HZ1 LYS A 50 -14.269 -0.375 13.077 1.00 72.33 H new ATOM 0 HZ2 LYS A 50 -14.677 -2.023 13.025 1.00 72.33 H new ATOM 0 HZ3 LYS A 50 -13.732 -1.422 14.302 1.00 72.33 H new ATOM 789 N ARG A 51 -10.933 -6.915 9.600 1.00 31.14 N ATOM 790 CA ARG A 51 -10.730 -8.357 9.529 1.00 34.11 C ATOM 791 C ARG A 51 -10.532 -8.807 8.085 1.00 62.42 C ATOM 792 O ARG A 51 -11.185 -9.741 7.618 1.00 32.21 O ATOM 793 CB ARG A 51 -11.923 -9.092 10.144 1.00 24.24 C ATOM 794 CG ARG A 51 -11.562 -10.440 10.747 1.00 71.44 C ATOM 795 CD ARG A 51 -12.803 -11.210 11.171 1.00 22.52 C ATOM 796 NE ARG A 51 -12.467 -12.429 11.902 1.00 22.33 N ATOM 797 CZ ARG A 51 -13.315 -13.063 12.704 1.00 15.22 C ATOM 798 NH1 ARG A 51 -14.544 -12.595 12.877 1.00 71.32 N ATOM 799 NH2 ARG A 51 -12.936 -14.167 13.335 1.00 3.41 N ATOM 0 H ARG A 51 -11.910 -6.624 9.566 1.00 31.14 H new ATOM 0 HA ARG A 51 -9.831 -8.601 10.094 1.00 34.11 H new ATOM 0 HB2 ARG A 51 -12.366 -8.465 10.917 1.00 24.24 H new ATOM 0 HB3 ARG A 51 -12.684 -9.238 9.377 1.00 24.24 H new ATOM 0 HG2 ARG A 51 -10.999 -11.026 10.020 1.00 71.44 H new ATOM 0 HG3 ARG A 51 -10.912 -10.292 11.609 1.00 71.44 H new ATOM 0 HD2 ARG A 51 -13.429 -10.573 11.796 1.00 22.52 H new ATOM 0 HD3 ARG A 51 -13.390 -11.466 10.289 1.00 22.52 H new ATOM 0 HE ARG A 51 -11.529 -12.815 11.790 1.00 22.33 H new ATOM 0 HH11 ARG A 51 -14.839 -11.747 12.394 1.00 71.32 H new ATOM 0 HH12 ARG A 51 -15.194 -13.083 13.493 1.00 71.32 H new ATOM 0 HH21 ARG A 51 -11.992 -14.530 13.205 1.00 3.41 H new ATOM 0 HH22 ARG A 51 -13.589 -14.652 13.950 1.00 3.41 H new ATOM 813 N THR A 52 -9.625 -8.137 7.380 1.00 13.24 N ATOM 814 CA THR A 52 -9.342 -8.466 5.989 1.00 24.14 C ATOM 815 C THR A 52 -7.931 -9.023 5.833 1.00 73.02 C ATOM 816 O THR A 52 -6.947 -8.325 6.079 1.00 73.52 O ATOM 817 CB THR A 52 -9.499 -7.235 5.077 1.00 13.12 C ATOM 818 OG1 THR A 52 -10.224 -6.207 5.762 1.00 34.41 O ATOM 819 CG2 THR A 52 -10.224 -7.603 3.792 1.00 72.35 C ATOM 0 H THR A 52 -9.074 -7.363 7.750 1.00 13.24 H new ATOM 0 HA THR A 52 -10.065 -9.225 5.690 1.00 24.14 H new ATOM 0 HB THR A 52 -8.504 -6.870 4.822 1.00 13.12 H new ATOM 0 HG1 THR A 52 -10.737 -5.681 5.114 1.00 34.41 H new ATOM 0 HG21 THR A 52 -10.323 -6.718 3.164 1.00 72.35 H new ATOM 0 HG22 THR A 52 -9.655 -8.365 3.259 1.00 72.35 H new ATOM 0 HG23 THR A 52 -11.214 -7.991 4.031 1.00 72.35 H new ATOM 827 N SER A 53 -7.840 -10.284 5.421 1.00 11.34 N ATOM 828 CA SER A 53 -6.549 -10.935 5.235 1.00 70.41 C ATOM 829 C SER A 53 -5.912 -10.512 3.915 1.00 53.32 C ATOM 830 O SER A 53 -6.485 -9.725 3.160 1.00 74.24 O ATOM 831 CB SER A 53 -6.712 -12.456 5.271 1.00 63.23 C ATOM 832 OG SER A 53 -7.941 -12.851 4.687 1.00 32.44 O ATOM 0 H SER A 53 -8.645 -10.874 5.210 1.00 11.34 H new ATOM 0 HA SER A 53 -5.894 -10.627 6.050 1.00 70.41 H new ATOM 0 HB2 SER A 53 -5.885 -12.926 4.739 1.00 63.23 H new ATOM 0 HB3 SER A 53 -6.667 -12.805 6.302 1.00 63.23 H new ATOM 0 HG SER A 53 -8.020 -13.827 4.721 1.00 32.44 H new ATOM 838 N LEU A 54 -4.723 -11.038 3.643 1.00 74.20 N ATOM 839 CA LEU A 54 -4.007 -10.716 2.414 1.00 4.30 C ATOM 840 C LEU A 54 -4.890 -10.945 1.192 1.00 13.21 C ATOM 841 O LEU A 54 -4.745 -10.270 0.174 1.00 54.54 O ATOM 842 CB LEU A 54 -2.736 -11.561 2.305 1.00 52.35 C ATOM 843 CG LEU A 54 -1.866 -11.308 1.073 1.00 73.24 C ATOM 844 CD1 LEU A 54 -1.491 -9.838 0.976 1.00 0.44 C ATOM 845 CD2 LEU A 54 -0.618 -12.178 1.114 1.00 50.41 C ATOM 0 H LEU A 54 -4.234 -11.689 4.257 1.00 74.20 H new ATOM 0 HA LEU A 54 -3.734 -9.661 2.448 1.00 4.30 H new ATOM 0 HB2 LEU A 54 -2.131 -11.387 3.195 1.00 52.35 H new ATOM 0 HB3 LEU A 54 -3.021 -12.613 2.314 1.00 52.35 H new ATOM 0 HG LEU A 54 -2.441 -11.573 0.186 1.00 73.24 H new ATOM 0 HD11 LEU A 54 -0.872 -9.678 0.093 1.00 0.44 H new ATOM 0 HD12 LEU A 54 -2.396 -9.236 0.899 1.00 0.44 H new ATOM 0 HD13 LEU A 54 -0.935 -9.545 1.867 1.00 0.44 H new ATOM 0 HD21 LEU A 54 -0.011 -11.985 0.230 1.00 50.41 H new ATOM 0 HD22 LEU A 54 -0.041 -11.944 2.009 1.00 50.41 H new ATOM 0 HD23 LEU A 54 -0.907 -13.229 1.133 1.00 50.41 H new ATOM 857 N ALA A 55 -5.807 -11.900 1.302 1.00 34.43 N ATOM 858 CA ALA A 55 -6.717 -12.216 0.208 1.00 15.52 C ATOM 859 C ALA A 55 -7.463 -10.971 -0.262 1.00 0.05 C ATOM 860 O ALA A 55 -7.780 -10.834 -1.442 1.00 41.03 O ATOM 861 CB ALA A 55 -7.703 -13.294 0.635 1.00 3.52 C ATOM 0 H ALA A 55 -5.940 -12.469 2.138 1.00 34.43 H new ATOM 0 HA ALA A 55 -6.125 -12.591 -0.627 1.00 15.52 H new ATOM 0 HB1 ALA A 55 -8.376 -13.520 -0.192 1.00 3.52 H new ATOM 0 HB2 ALA A 55 -7.158 -14.195 0.915 1.00 3.52 H new ATOM 0 HB3 ALA A 55 -8.282 -12.940 1.488 1.00 3.52 H new ATOM 867 N GLY A 56 -7.741 -10.065 0.672 1.00 60.53 N ATOM 868 CA GLY A 56 -8.448 -8.844 0.333 1.00 32.31 C ATOM 869 C GLY A 56 -7.595 -7.884 -0.472 1.00 22.33 C ATOM 870 O GLY A 56 -8.065 -7.288 -1.440 1.00 11.42 O ATOM 0 H GLY A 56 -7.489 -10.155 1.656 1.00 60.53 H new ATOM 0 HA2 GLY A 56 -9.344 -9.093 -0.235 1.00 32.31 H new ATOM 0 HA3 GLY A 56 -8.777 -8.352 1.248 1.00 32.31 H new ATOM 874 N MET A 57 -6.337 -7.734 -0.070 1.00 10.41 N ATOM 875 CA MET A 57 -5.416 -6.838 -0.761 1.00 34.30 C ATOM 876 C MET A 57 -5.004 -7.418 -2.110 1.00 73.23 C ATOM 877 O MET A 57 -5.058 -6.736 -3.134 1.00 0.34 O ATOM 878 CB MET A 57 -4.176 -6.584 0.098 1.00 34.54 C ATOM 879 CG MET A 57 -4.463 -5.783 1.358 1.00 54.24 C ATOM 880 SD MET A 57 -4.244 -4.009 1.117 1.00 72.31 S ATOM 881 CE MET A 57 -5.756 -3.596 0.250 1.00 11.10 C ATOM 0 H MET A 57 -5.932 -8.221 0.730 1.00 10.41 H new ATOM 0 HA MET A 57 -5.929 -5.892 -0.933 1.00 34.30 H new ATOM 0 HB2 MET A 57 -3.736 -7.541 0.378 1.00 34.54 H new ATOM 0 HB3 MET A 57 -3.433 -6.054 -0.498 1.00 34.54 H new ATOM 0 HG2 MET A 57 -5.485 -5.978 1.683 1.00 54.24 H new ATOM 0 HG3 MET A 57 -3.804 -6.121 2.157 1.00 54.24 H new ATOM 0 HE1 MET A 57 -5.515 -3.226 -0.746 1.00 11.10 H new ATOM 0 HE2 MET A 57 -6.381 -4.485 0.165 1.00 11.10 H new ATOM 0 HE3 MET A 57 -6.294 -2.826 0.803 1.00 11.10 H new ATOM 891 N LYS A 58 -4.592 -8.681 -2.105 1.00 74.44 N ATOM 892 CA LYS A 58 -4.172 -9.354 -3.329 1.00 23.34 C ATOM 893 C LYS A 58 -5.279 -9.319 -4.378 1.00 5.55 C ATOM 894 O LYS A 58 -5.010 -9.303 -5.579 1.00 25.41 O ATOM 895 CB LYS A 58 -3.784 -10.804 -3.030 1.00 31.30 C ATOM 896 CG LYS A 58 -4.976 -11.733 -2.875 1.00 0.11 C ATOM 897 CD LYS A 58 -4.538 -13.160 -2.589 1.00 41.44 C ATOM 898 CE LYS A 58 -3.720 -13.246 -1.310 1.00 1.01 C ATOM 899 NZ LYS A 58 -3.922 -14.544 -0.609 1.00 70.20 N ATOM 0 H LYS A 58 -4.540 -9.260 -1.267 1.00 74.44 H new ATOM 0 HA LYS A 58 -3.305 -8.826 -3.725 1.00 23.34 H new ATOM 0 HB2 LYS A 58 -3.148 -11.174 -3.834 1.00 31.30 H new ATOM 0 HB3 LYS A 58 -3.191 -10.832 -2.116 1.00 31.30 H new ATOM 0 HG2 LYS A 58 -5.612 -11.378 -2.065 1.00 0.11 H new ATOM 0 HG3 LYS A 58 -5.576 -11.711 -3.785 1.00 0.11 H new ATOM 0 HD2 LYS A 58 -5.415 -13.801 -2.505 1.00 41.44 H new ATOM 0 HD3 LYS A 58 -3.948 -13.535 -3.425 1.00 41.44 H new ATOM 0 HE2 LYS A 58 -2.663 -13.121 -1.546 1.00 1.01 H new ATOM 0 HE3 LYS A 58 -3.997 -12.427 -0.646 1.00 1.01 H new ATOM 0 HZ1 LYS A 58 -3.348 -14.564 0.258 1.00 70.20 H new ATOM 0 HZ2 LYS A 58 -4.926 -14.652 -0.361 1.00 70.20 H new ATOM 0 HZ3 LYS A 58 -3.633 -15.324 -1.233 1.00 70.20 H new ATOM 913 N LYS A 59 -6.524 -9.304 -3.916 1.00 54.31 N ATOM 914 CA LYS A 59 -7.673 -9.267 -4.814 1.00 1.34 C ATOM 915 C LYS A 59 -7.596 -8.062 -5.746 1.00 14.34 C ATOM 916 O LYS A 59 -8.053 -8.118 -6.888 1.00 42.24 O ATOM 917 CB LYS A 59 -8.974 -9.221 -4.009 1.00 2.31 C ATOM 918 CG LYS A 59 -9.874 -10.423 -4.238 1.00 44.31 C ATOM 919 CD LYS A 59 -11.135 -10.344 -3.394 1.00 24.31 C ATOM 920 CE LYS A 59 -11.583 -11.723 -2.933 1.00 11.53 C ATOM 921 NZ LYS A 59 -13.038 -11.756 -2.617 1.00 51.42 N ATOM 0 H LYS A 59 -6.764 -9.317 -2.925 1.00 54.31 H new ATOM 0 HA LYS A 59 -7.659 -10.173 -5.419 1.00 1.34 H new ATOM 0 HB2 LYS A 59 -8.733 -9.155 -2.948 1.00 2.31 H new ATOM 0 HB3 LYS A 59 -9.520 -8.314 -4.269 1.00 2.31 H new ATOM 0 HG2 LYS A 59 -10.144 -10.481 -5.292 1.00 44.31 H new ATOM 0 HG3 LYS A 59 -9.331 -11.337 -3.997 1.00 44.31 H new ATOM 0 HD2 LYS A 59 -10.954 -9.710 -2.526 1.00 24.31 H new ATOM 0 HD3 LYS A 59 -11.932 -9.875 -3.971 1.00 24.31 H new ATOM 0 HE2 LYS A 59 -11.363 -12.455 -3.710 1.00 11.53 H new ATOM 0 HE3 LYS A 59 -11.013 -12.014 -2.051 1.00 11.53 H new ATOM 0 HZ1 LYS A 59 -13.304 -12.712 -2.307 1.00 51.42 H new ATOM 0 HZ2 LYS A 59 -13.244 -11.076 -1.858 1.00 51.42 H new ATOM 0 HZ3 LYS A 59 -13.583 -11.503 -3.466 1.00 51.42 H new ATOM 935 N LEU A 60 -7.016 -6.974 -5.252 1.00 1.42 N ATOM 936 CA LEU A 60 -6.878 -5.755 -6.041 1.00 51.34 C ATOM 937 C LEU A 60 -5.675 -5.844 -6.975 1.00 2.54 C ATOM 938 O LEU A 60 -5.729 -5.391 -8.118 1.00 75.05 O ATOM 939 CB LEU A 60 -6.736 -4.541 -5.121 1.00 41.14 C ATOM 940 CG LEU A 60 -8.007 -4.094 -4.398 1.00 60.23 C ATOM 941 CD1 LEU A 60 -8.320 -5.030 -3.241 1.00 62.12 C ATOM 942 CD2 LEU A 60 -7.864 -2.662 -3.905 1.00 13.23 C ATOM 0 H LEU A 60 -6.634 -6.911 -4.309 1.00 1.42 H new ATOM 0 HA LEU A 60 -7.777 -5.640 -6.647 1.00 51.34 H new ATOM 0 HB2 LEU A 60 -5.976 -4.765 -4.372 1.00 41.14 H new ATOM 0 HB3 LEU A 60 -6.365 -3.704 -5.712 1.00 41.14 H new ATOM 0 HG LEU A 60 -8.837 -4.133 -5.104 1.00 60.23 H new ATOM 0 HD11 LEU A 60 -9.228 -4.696 -2.738 1.00 62.12 H new ATOM 0 HD12 LEU A 60 -8.466 -6.041 -3.620 1.00 62.12 H new ATOM 0 HD13 LEU A 60 -7.491 -5.024 -2.534 1.00 62.12 H new ATOM 0 HD21 LEU A 60 -8.778 -2.361 -3.393 1.00 13.23 H new ATOM 0 HD22 LEU A 60 -7.023 -2.597 -3.215 1.00 13.23 H new ATOM 0 HD23 LEU A 60 -7.689 -2.001 -4.754 1.00 13.23 H new ATOM 954 N ILE A 61 -4.591 -6.431 -6.479 1.00 43.14 N ATOM 955 CA ILE A 61 -3.376 -6.582 -7.270 1.00 44.11 C ATOM 956 C ILE A 61 -2.704 -7.923 -6.995 1.00 42.01 C ATOM 957 O ILE A 61 -1.721 -8.014 -6.259 1.00 14.23 O ATOM 958 CB ILE A 61 -2.372 -5.449 -6.982 1.00 74.45 C ATOM 959 CG1 ILE A 61 -3.046 -4.086 -7.155 1.00 23.24 C ATOM 960 CG2 ILE A 61 -1.163 -5.568 -7.898 1.00 21.13 C ATOM 961 CD1 ILE A 61 -3.694 -3.568 -5.890 1.00 22.43 C ATOM 0 H ILE A 61 -4.529 -6.810 -5.534 1.00 43.14 H new ATOM 0 HA ILE A 61 -3.674 -6.535 -8.317 1.00 44.11 H new ATOM 0 HB ILE A 61 -2.032 -5.537 -5.950 1.00 74.45 H new ATOM 0 HG12 ILE A 61 -2.304 -3.364 -7.496 1.00 23.24 H new ATOM 0 HG13 ILE A 61 -3.802 -4.160 -7.937 1.00 23.24 H new ATOM 0 HG21 ILE A 61 -0.463 -4.761 -7.683 1.00 21.13 H new ATOM 0 HG22 ILE A 61 -0.673 -6.527 -7.731 1.00 21.13 H new ATOM 0 HG23 ILE A 61 -1.486 -5.501 -8.937 1.00 21.13 H new ATOM 0 HD11 ILE A 61 -4.152 -2.598 -6.086 1.00 22.43 H new ATOM 0 HD12 ILE A 61 -4.459 -4.270 -5.559 1.00 22.43 H new ATOM 0 HD13 ILE A 61 -2.939 -3.461 -5.112 1.00 22.43 H new ATOM 973 N PRO A 62 -3.244 -8.991 -7.602 1.00 4.43 N ATOM 974 CA PRO A 62 -2.711 -10.347 -7.439 1.00 50.44 C ATOM 975 C PRO A 62 -1.357 -10.523 -8.118 1.00 51.23 C ATOM 976 O PRO A 62 -1.247 -10.428 -9.340 1.00 34.50 O ATOM 977 CB PRO A 62 -3.766 -11.225 -8.115 1.00 75.51 C ATOM 978 CG PRO A 62 -4.428 -10.330 -9.105 1.00 12.34 C ATOM 979 CD PRO A 62 -4.415 -8.956 -8.493 1.00 51.02 C ATOM 0 HA PRO A 62 -2.538 -10.594 -6.392 1.00 50.44 H new ATOM 0 HB2 PRO A 62 -3.310 -12.086 -8.603 1.00 75.51 H new ATOM 0 HB3 PRO A 62 -4.482 -11.612 -7.390 1.00 75.51 H new ATOM 0 HG2 PRO A 62 -3.896 -10.339 -10.056 1.00 12.34 H new ATOM 0 HG3 PRO A 62 -5.448 -10.658 -9.307 1.00 12.34 H new ATOM 0 HD2 PRO A 62 -4.320 -8.179 -9.252 1.00 51.02 H new ATOM 0 HD3 PRO A 62 -5.333 -8.753 -7.942 1.00 51.02 H new ATOM 987 N GLY A 63 -0.327 -10.780 -7.317 1.00 53.13 N ATOM 988 CA GLY A 63 1.006 -10.965 -7.860 1.00 30.44 C ATOM 989 C GLY A 63 2.057 -10.188 -7.093 1.00 2.14 C ATOM 990 O GLY A 63 3.079 -10.743 -6.690 1.00 61.15 O ATOM 0 H GLY A 63 -0.392 -10.863 -6.302 1.00 53.13 H new ATOM 0 HA2 GLY A 63 1.258 -12.025 -7.843 1.00 30.44 H new ATOM 0 HA3 GLY A 63 1.017 -10.652 -8.904 1.00 30.44 H new ATOM 994 N ALA A 64 1.807 -8.898 -6.891 1.00 21.32 N ATOM 995 CA ALA A 64 2.740 -8.043 -6.167 1.00 33.52 C ATOM 996 C ALA A 64 3.125 -8.663 -4.828 1.00 5.43 C ATOM 997 O ALA A 64 2.505 -9.625 -4.376 1.00 30.54 O ATOM 998 CB ALA A 64 2.136 -6.662 -5.958 1.00 24.43 C ATOM 0 H ALA A 64 0.966 -8.422 -7.219 1.00 21.32 H new ATOM 0 HA ALA A 64 3.645 -7.944 -6.766 1.00 33.52 H new ATOM 0 HB1 ALA A 64 2.843 -6.034 -5.416 1.00 24.43 H new ATOM 0 HB2 ALA A 64 1.917 -6.210 -6.926 1.00 24.43 H new ATOM 0 HB3 ALA A 64 1.215 -6.751 -5.382 1.00 24.43 H new ATOM 1004 N HIS A 65 4.154 -8.104 -4.197 1.00 62.53 N ATOM 1005 CA HIS A 65 4.623 -8.602 -2.909 1.00 33.51 C ATOM 1006 C HIS A 65 3.992 -7.819 -1.762 1.00 33.34 C ATOM 1007 O HIS A 65 4.124 -6.598 -1.683 1.00 45.24 O ATOM 1008 CB HIS A 65 6.147 -8.511 -2.827 1.00 33.13 C ATOM 1009 CG HIS A 65 6.747 -9.422 -1.801 1.00 31.34 C ATOM 1010 ND1 HIS A 65 7.513 -10.522 -2.126 1.00 52.33 N ATOM 1011 CD2 HIS A 65 6.692 -9.391 -0.449 1.00 33.35 C ATOM 1012 CE1 HIS A 65 7.901 -11.129 -1.019 1.00 42.41 C ATOM 1013 NE2 HIS A 65 7.417 -10.462 0.013 1.00 34.32 N ATOM 0 H HIS A 65 4.678 -7.306 -4.557 1.00 62.53 H new ATOM 0 HA HIS A 65 4.324 -9.646 -2.820 1.00 33.51 H new ATOM 0 HB2 HIS A 65 6.570 -8.748 -3.803 1.00 33.13 H new ATOM 0 HB3 HIS A 65 6.430 -7.483 -2.598 1.00 33.13 H new ATOM 0 HD2 HIS A 65 6.174 -8.660 0.154 1.00 33.35 H new ATOM 0 HE1 HIS A 65 8.510 -12.019 -0.967 1.00 42.41 H new ATOM 0 HE2 HIS A 65 7.559 -10.703 0.994 1.00 34.32 H new ATOM 1021 N PHE A 66 3.304 -8.530 -0.874 1.00 22.20 N ATOM 1022 CA PHE A 66 2.651 -7.901 0.268 1.00 31.42 C ATOM 1023 C PHE A 66 3.263 -8.386 1.579 1.00 33.23 C ATOM 1024 O PHE A 66 3.887 -9.445 1.630 1.00 22.11 O ATOM 1025 CB PHE A 66 1.150 -8.199 0.252 1.00 62.13 C ATOM 1026 CG PHE A 66 0.332 -7.120 -0.399 1.00 62.52 C ATOM 1027 CD1 PHE A 66 0.229 -7.048 -1.779 1.00 22.11 C ATOM 1028 CD2 PHE A 66 -0.333 -6.179 0.369 1.00 52.41 C ATOM 1029 CE1 PHE A 66 -0.523 -6.057 -2.381 1.00 60.12 C ATOM 1030 CE2 PHE A 66 -1.087 -5.186 -0.228 1.00 11.34 C ATOM 1031 CZ PHE A 66 -1.181 -5.124 -1.604 1.00 71.03 C ATOM 0 H PHE A 66 3.184 -9.542 -0.924 1.00 22.20 H new ATOM 0 HA PHE A 66 2.802 -6.824 0.193 1.00 31.42 H new ATOM 0 HB2 PHE A 66 0.980 -9.139 -0.272 1.00 62.13 H new ATOM 0 HB3 PHE A 66 0.804 -8.338 1.276 1.00 62.13 H new ATOM 0 HD1 PHE A 66 0.742 -7.775 -2.391 1.00 22.11 H new ATOM 0 HD2 PHE A 66 -0.262 -6.221 1.446 1.00 52.41 H new ATOM 0 HE1 PHE A 66 -0.596 -6.012 -3.458 1.00 60.12 H new ATOM 0 HE2 PHE A 66 -1.602 -4.459 0.382 1.00 11.34 H new ATOM 0 HZ PHE A 66 -1.768 -4.347 -2.072 1.00 71.03 H new ATOM 1041 N GLU A 67 3.078 -7.602 2.637 1.00 22.30 N ATOM 1042 CA GLU A 67 3.613 -7.951 3.948 1.00 42.10 C ATOM 1043 C GLU A 67 2.718 -7.415 5.061 1.00 13.32 C ATOM 1044 O GLU A 67 2.616 -6.205 5.264 1.00 5.50 O ATOM 1045 CB GLU A 67 5.031 -7.398 4.108 1.00 30.32 C ATOM 1046 CG GLU A 67 5.895 -8.207 5.061 1.00 65.24 C ATOM 1047 CD GLU A 67 7.315 -8.380 4.556 1.00 31.10 C ATOM 1048 OE1 GLU A 67 7.483 -8.726 3.368 1.00 64.12 O ATOM 1049 OE2 GLU A 67 8.257 -8.170 5.349 1.00 73.15 O ATOM 0 H GLU A 67 2.562 -6.722 2.612 1.00 22.30 H new ATOM 0 HA GLU A 67 3.644 -9.038 4.022 1.00 42.10 H new ATOM 0 HB2 GLU A 67 5.513 -7.368 3.131 1.00 30.32 H new ATOM 0 HB3 GLU A 67 4.973 -6.370 4.467 1.00 30.32 H new ATOM 0 HG2 GLU A 67 5.916 -7.715 6.033 1.00 65.24 H new ATOM 0 HG3 GLU A 67 5.444 -9.188 5.210 1.00 65.24 H new ATOM 1056 N LYS A 68 2.069 -8.324 5.780 1.00 33.31 N ATOM 1057 CA LYS A 68 1.182 -7.946 6.874 1.00 53.44 C ATOM 1058 C LYS A 68 1.923 -7.965 8.207 1.00 54.33 C ATOM 1059 O LYS A 68 1.306 -7.915 9.271 1.00 11.40 O ATOM 1060 CB LYS A 68 -0.021 -8.890 6.933 1.00 62.32 C ATOM 1061 CG LYS A 68 -1.101 -8.440 7.902 1.00 64.44 C ATOM 1062 CD LYS A 68 -1.186 -9.361 9.108 1.00 55.15 C ATOM 1063 CE LYS A 68 -1.575 -8.598 10.365 1.00 44.33 C ATOM 1064 NZ LYS A 68 -1.662 -9.492 11.552 1.00 71.41 N ATOM 0 H LYS A 68 2.141 -9.330 5.625 1.00 33.31 H new ATOM 0 HA LYS A 68 0.830 -6.931 6.689 1.00 53.44 H new ATOM 0 HB2 LYS A 68 -0.453 -8.977 5.936 1.00 62.32 H new ATOM 0 HB3 LYS A 68 0.322 -9.884 7.220 1.00 62.32 H new ATOM 0 HG2 LYS A 68 -0.893 -7.423 8.234 1.00 64.44 H new ATOM 0 HG3 LYS A 68 -2.064 -8.418 7.391 1.00 64.44 H new ATOM 0 HD2 LYS A 68 -1.917 -10.146 8.917 1.00 55.15 H new ATOM 0 HD3 LYS A 68 -0.225 -9.851 9.261 1.00 55.15 H new ATOM 0 HE2 LYS A 68 -0.843 -7.813 10.555 1.00 44.33 H new ATOM 0 HE3 LYS A 68 -2.536 -8.107 10.209 1.00 44.33 H new ATOM 0 HZ1 LYS A 68 -1.929 -8.934 12.388 1.00 71.41 H new ATOM 0 HZ2 LYS A 68 -2.379 -10.226 11.382 1.00 71.41 H new ATOM 0 HZ3 LYS A 68 -0.739 -9.941 11.717 1.00 71.41 H new ATOM 1078 N ARG A 69 3.248 -8.036 8.141 1.00 41.01 N ATOM 1079 CA ARG A 69 4.073 -8.061 9.343 1.00 35.11 C ATOM 1080 C ARG A 69 4.375 -6.645 9.825 1.00 74.12 C ATOM 1081 O ARG A 69 5.234 -6.441 10.682 1.00 3.30 O ATOM 1082 CB ARG A 69 5.379 -8.810 9.075 1.00 4.14 C ATOM 1083 CG ARG A 69 5.630 -9.961 10.036 1.00 13.22 C ATOM 1084 CD ARG A 69 6.102 -11.206 9.303 1.00 70.25 C ATOM 1085 NE ARG A 69 4.987 -12.056 8.893 1.00 21.34 N ATOM 1086 CZ ARG A 69 4.376 -12.909 9.708 1.00 71.31 C ATOM 1087 NH1 ARG A 69 4.769 -13.025 10.969 1.00 43.32 N ATOM 1088 NH2 ARG A 69 3.369 -13.649 9.262 1.00 54.24 N ATOM 0 H ARG A 69 3.774 -8.077 7.268 1.00 41.01 H new ATOM 0 HA ARG A 69 3.518 -8.581 10.124 1.00 35.11 H new ATOM 0 HB2 ARG A 69 5.364 -9.196 8.056 1.00 4.14 H new ATOM 0 HB3 ARG A 69 6.210 -8.108 9.138 1.00 4.14 H new ATOM 0 HG2 ARG A 69 6.378 -9.665 10.772 1.00 13.22 H new ATOM 0 HG3 ARG A 69 4.715 -10.185 10.584 1.00 13.22 H new ATOM 0 HD2 ARG A 69 6.677 -10.913 8.424 1.00 70.25 H new ATOM 0 HD3 ARG A 69 6.773 -11.774 9.948 1.00 70.25 H new ATOM 0 HE ARG A 69 4.660 -11.991 7.929 1.00 21.34 H new ATOM 0 HH11 ARG A 69 5.543 -12.458 11.316 1.00 43.32 H new ATOM 0 HH12 ARG A 69 4.298 -13.681 11.592 1.00 43.32 H new ATOM 0 HH21 ARG A 69 3.063 -13.563 8.293 1.00 54.24 H new ATOM 0 HH22 ARG A 69 2.901 -14.304 9.888 1.00 54.24 H new ATOM 1102 N ARG A 70 3.662 -5.671 9.267 1.00 24.43 N ATOM 1103 CA ARG A 70 3.856 -4.275 9.639 1.00 55.24 C ATOM 1104 C ARG A 70 5.232 -3.781 9.201 1.00 35.31 C ATOM 1105 O ARG A 70 6.169 -3.740 9.996 1.00 22.04 O ATOM 1106 CB ARG A 70 3.696 -4.100 11.150 1.00 51.11 C ATOM 1107 CG ARG A 70 2.567 -4.927 11.743 1.00 54.42 C ATOM 1108 CD ARG A 70 2.262 -4.509 13.173 1.00 23.41 C ATOM 1109 NE ARG A 70 3.244 -5.035 14.117 1.00 23.54 N ATOM 1110 CZ ARG A 70 3.375 -4.595 15.364 1.00 74.02 C ATOM 1111 NH1 ARG A 70 2.589 -3.626 15.814 1.00 61.33 N ATOM 1112 NH2 ARG A 70 4.292 -5.124 16.163 1.00 31.33 N ATOM 0 H ARG A 70 2.946 -5.823 8.557 1.00 24.43 H new ATOM 0 HA ARG A 70 3.097 -3.681 9.130 1.00 55.24 H new ATOM 0 HB2 ARG A 70 4.631 -4.373 11.640 1.00 51.11 H new ATOM 0 HB3 ARG A 70 3.517 -3.047 11.368 1.00 51.11 H new ATOM 0 HG2 ARG A 70 1.672 -4.815 11.131 1.00 54.42 H new ATOM 0 HG3 ARG A 70 2.837 -5.983 11.721 1.00 54.42 H new ATOM 0 HD2 ARG A 70 2.244 -3.421 13.237 1.00 23.41 H new ATOM 0 HD3 ARG A 70 1.268 -4.861 13.450 1.00 23.41 H new ATOM 0 HE ARG A 70 3.864 -5.781 13.802 1.00 23.54 H new ATOM 0 HH11 ARG A 70 1.882 -3.217 15.203 1.00 61.33 H new ATOM 0 HH12 ARG A 70 2.691 -3.290 16.772 1.00 61.33 H new ATOM 0 HH21 ARG A 70 4.898 -5.870 15.821 1.00 31.33 H new ATOM 0 HH22 ARG A 70 4.391 -4.785 17.120 1.00 31.33 H new ATOM 1126 N GLY A 71 5.344 -3.408 7.930 1.00 64.11 N ATOM 1127 CA GLY A 71 6.609 -2.923 7.409 1.00 70.35 C ATOM 1128 C GLY A 71 7.235 -1.867 8.297 1.00 44.33 C ATOM 1129 O GLY A 71 8.459 -1.733 8.349 1.00 74.23 O ATOM 0 H GLY A 71 4.582 -3.433 7.252 1.00 64.11 H new ATOM 0 HA2 GLY A 71 7.299 -3.760 7.303 1.00 70.35 H new ATOM 0 HA3 GLY A 71 6.453 -2.510 6.412 1.00 70.35 H new ATOM 1133 N THR A 72 6.396 -1.111 8.998 1.00 54.05 N ATOM 1134 CA THR A 72 6.874 -0.059 9.885 1.00 15.25 C ATOM 1135 C THR A 72 5.713 0.635 10.590 1.00 44.43 C ATOM 1136 O THR A 72 5.770 1.834 10.864 1.00 63.22 O ATOM 1137 CB THR A 72 7.697 0.993 9.118 1.00 32.12 C ATOM 1138 OG1 THR A 72 7.479 0.853 7.710 1.00 42.32 O ATOM 1139 CG2 THR A 72 9.180 0.848 9.424 1.00 31.22 C ATOM 0 H THR A 72 5.381 -1.208 8.968 1.00 54.05 H new ATOM 0 HA THR A 72 7.513 -0.538 10.627 1.00 15.25 H new ATOM 0 HB THR A 72 7.371 1.982 9.439 1.00 32.12 H new ATOM 0 HG1 THR A 72 8.004 1.526 7.229 1.00 42.32 H new ATOM 0 HG21 THR A 72 9.741 1.601 8.871 1.00 31.22 H new ATOM 0 HG22 THR A 72 9.346 0.984 10.493 1.00 31.22 H new ATOM 0 HG23 THR A 72 9.517 -0.145 9.128 1.00 31.22 H new ATOM 1147 N GLN A 73 4.663 -0.125 10.880 1.00 30.32 N ATOM 1148 CA GLN A 73 3.489 0.418 11.553 1.00 2.50 C ATOM 1149 C GLN A 73 2.862 1.540 10.732 1.00 52.03 C ATOM 1150 O GLN A 73 3.189 1.722 9.560 1.00 54.42 O ATOM 1151 CB GLN A 73 3.866 0.937 12.942 1.00 31.30 C ATOM 1152 CG GLN A 73 2.863 0.566 14.022 1.00 15.53 C ATOM 1153 CD GLN A 73 2.848 1.557 15.170 1.00 50.24 C ATOM 1154 OE1 GLN A 73 3.898 1.997 15.639 1.00 42.04 O ATOM 1155 NE2 GLN A 73 1.654 1.915 15.628 1.00 22.45 N ATOM 0 H GLN A 73 4.601 -1.119 10.660 1.00 30.32 H new ATOM 0 HA GLN A 73 2.758 -0.384 11.658 1.00 2.50 H new ATOM 0 HB2 GLN A 73 4.845 0.542 13.215 1.00 31.30 H new ATOM 0 HB3 GLN A 73 3.960 2.022 12.902 1.00 31.30 H new ATOM 0 HG2 GLN A 73 1.867 0.509 13.583 1.00 15.53 H new ATOM 0 HG3 GLN A 73 3.099 -0.426 14.407 1.00 15.53 H new ATOM 0 HE21 GLN A 73 0.809 1.525 15.209 1.00 22.45 H new ATOM 0 HE22 GLN A 73 1.582 2.580 16.398 1.00 22.45 H new ATOM 1164 N GLY A 74 1.958 2.289 11.356 1.00 52.44 N ATOM 1165 CA GLY A 74 1.298 3.384 10.667 1.00 65.51 C ATOM 1166 C GLY A 74 2.154 4.634 10.612 1.00 20.41 C ATOM 1167 O GLY A 74 1.793 5.612 9.959 1.00 33.11 O ATOM 0 H GLY A 74 1.671 2.158 12.326 1.00 52.44 H new ATOM 0 HA2 GLY A 74 1.049 3.073 9.652 1.00 65.51 H new ATOM 0 HA3 GLY A 74 0.359 3.612 11.170 1.00 65.51 H new ATOM 1171 N GLU A 75 3.290 4.602 11.301 1.00 24.12 N ATOM 1172 CA GLU A 75 4.198 5.743 11.329 1.00 31.15 C ATOM 1173 C GLU A 75 4.850 5.954 9.966 1.00 75.22 C ATOM 1174 O GLU A 75 5.230 7.070 9.614 1.00 71.01 O ATOM 1175 CB GLU A 75 5.276 5.539 12.396 1.00 10.10 C ATOM 1176 CG GLU A 75 5.302 6.632 13.451 1.00 23.25 C ATOM 1177 CD GLU A 75 6.270 6.331 14.579 1.00 24.41 C ATOM 1178 OE1 GLU A 75 7.311 5.694 14.314 1.00 20.51 O ATOM 1179 OE2 GLU A 75 5.987 6.733 15.727 1.00 73.20 O ATOM 0 H GLU A 75 3.604 3.799 11.847 1.00 24.12 H new ATOM 0 HA GLU A 75 3.616 6.631 11.575 1.00 31.15 H new ATOM 0 HB2 GLU A 75 5.115 4.578 12.884 1.00 10.10 H new ATOM 0 HB3 GLU A 75 6.251 5.490 11.911 1.00 10.10 H new ATOM 0 HG2 GLU A 75 5.578 7.577 12.983 1.00 23.25 H new ATOM 0 HG3 GLU A 75 4.300 6.760 13.861 1.00 23.25 H new ATOM 1186 N ALA A 76 4.975 4.873 9.203 1.00 21.21 N ATOM 1187 CA ALA A 76 5.579 4.939 7.878 1.00 20.31 C ATOM 1188 C ALA A 76 4.669 5.669 6.896 1.00 63.21 C ATOM 1189 O ALA A 76 5.072 5.978 5.774 1.00 21.14 O ATOM 1190 CB ALA A 76 5.892 3.539 7.370 1.00 33.14 C ATOM 0 H ALA A 76 4.666 3.941 9.480 1.00 21.21 H new ATOM 0 HA ALA A 76 6.510 5.501 7.957 1.00 20.31 H new ATOM 0 HB1 ALA A 76 6.343 3.604 6.380 1.00 33.14 H new ATOM 0 HB2 ALA A 76 6.587 3.051 8.054 1.00 33.14 H new ATOM 0 HB3 ALA A 76 4.971 2.958 7.313 1.00 33.14 H new ATOM 1196 N ARG A 77 3.441 5.941 7.324 1.00 20.22 N ATOM 1197 CA ARG A 77 2.474 6.633 6.481 1.00 33.02 C ATOM 1198 C ARG A 77 2.868 8.094 6.288 1.00 44.23 C ATOM 1199 O ARG A 77 2.479 8.728 5.307 1.00 23.12 O ATOM 1200 CB ARG A 77 1.076 6.548 7.097 1.00 11.50 C ATOM 1201 CG ARG A 77 0.455 5.164 7.011 1.00 22.31 C ATOM 1202 CD ARG A 77 -0.032 4.858 5.603 1.00 24.23 C ATOM 1203 NE ARG A 77 -0.954 5.877 5.110 1.00 61.24 N ATOM 1204 CZ ARG A 77 -2.190 6.034 5.569 1.00 34.51 C ATOM 1205 NH1 ARG A 77 -2.650 5.242 6.528 1.00 1.14 N ATOM 1206 NH2 ARG A 77 -2.970 6.984 5.069 1.00 22.11 N ATOM 0 H ARG A 77 3.092 5.693 8.250 1.00 20.22 H new ATOM 0 HA ARG A 77 2.465 6.145 5.506 1.00 33.02 H new ATOM 0 HB2 ARG A 77 1.131 6.848 8.144 1.00 11.50 H new ATOM 0 HB3 ARG A 77 0.423 7.262 6.595 1.00 11.50 H new ATOM 0 HG2 ARG A 77 1.187 4.416 7.314 1.00 22.31 H new ATOM 0 HG3 ARG A 77 -0.379 5.094 7.709 1.00 22.31 H new ATOM 0 HD2 ARG A 77 0.823 4.787 4.931 1.00 24.23 H new ATOM 0 HD3 ARG A 77 -0.526 3.887 5.593 1.00 24.23 H new ATOM 0 HE ARG A 77 -0.631 6.503 4.372 1.00 61.24 H new ATOM 0 HH11 ARG A 77 -2.054 4.510 6.915 1.00 1.14 H new ATOM 0 HH12 ARG A 77 -3.600 5.365 6.879 1.00 1.14 H new ATOM 0 HH21 ARG A 77 -2.620 7.595 4.331 1.00 22.11 H new ATOM 0 HH22 ARG A 77 -3.919 7.103 5.423 1.00 22.11 H new ATOM 1220 N ALA A 78 3.643 8.622 7.230 1.00 51.31 N ATOM 1221 CA ALA A 78 4.091 10.008 7.162 1.00 24.53 C ATOM 1222 C ALA A 78 5.531 10.095 6.667 1.00 30.11 C ATOM 1223 O ALA A 78 5.928 11.088 6.057 1.00 65.43 O ATOM 1224 CB ALA A 78 3.958 10.672 8.525 1.00 45.35 C ATOM 0 H ALA A 78 3.974 8.111 8.049 1.00 51.31 H new ATOM 0 HA ALA A 78 3.457 10.535 6.449 1.00 24.53 H new ATOM 0 HB1 ALA A 78 4.296 11.706 8.460 1.00 45.35 H new ATOM 0 HB2 ALA A 78 2.915 10.650 8.840 1.00 45.35 H new ATOM 0 HB3 ALA A 78 4.568 10.136 9.252 1.00 45.35 H new ATOM 1230 N TYR A 79 6.308 9.051 6.934 1.00 12.12 N ATOM 1231 CA TYR A 79 7.705 9.012 6.518 1.00 32.23 C ATOM 1232 C TYR A 79 7.835 8.476 5.096 1.00 71.50 C ATOM 1233 O TYR A 79 8.828 8.728 4.414 1.00 54.45 O ATOM 1234 CB TYR A 79 8.520 8.145 7.479 1.00 64.42 C ATOM 1235 CG TYR A 79 9.769 7.562 6.857 1.00 61.25 C ATOM 1236 CD1 TYR A 79 10.817 8.382 6.457 1.00 61.25 C ATOM 1237 CD2 TYR A 79 9.901 6.192 6.668 1.00 74.34 C ATOM 1238 CE1 TYR A 79 11.960 7.854 5.887 1.00 73.01 C ATOM 1239 CE2 TYR A 79 11.040 5.655 6.100 1.00 21.02 C ATOM 1240 CZ TYR A 79 12.067 6.490 5.711 1.00 14.13 C ATOM 1241 OH TYR A 79 13.203 5.959 5.144 1.00 13.54 O ATOM 0 H TYR A 79 5.994 8.221 7.436 1.00 12.12 H new ATOM 0 HA TYR A 79 8.093 10.030 6.539 1.00 32.23 H new ATOM 0 HB2 TYR A 79 8.801 8.743 8.346 1.00 64.42 H new ATOM 0 HB3 TYR A 79 7.892 7.332 7.843 1.00 64.42 H new ATOM 0 HD1 TYR A 79 10.737 9.450 6.594 1.00 61.25 H new ATOM 0 HD2 TYR A 79 9.099 5.535 6.971 1.00 74.34 H new ATOM 0 HE1 TYR A 79 12.765 8.506 5.581 1.00 73.01 H new ATOM 0 HE2 TYR A 79 11.126 4.587 5.961 1.00 21.02 H new ATOM 0 HH TYR A 79 13.118 4.984 5.093 1.00 13.54 H new ATOM 1251 N SER A 80 6.824 7.734 4.656 1.00 72.45 N ATOM 1252 CA SER A 80 6.825 7.158 3.316 1.00 52.13 C ATOM 1253 C SER A 80 7.983 6.179 3.146 1.00 52.43 C ATOM 1254 O SER A 80 8.595 5.750 4.123 1.00 31.30 O ATOM 1255 CB SER A 80 6.918 8.264 2.263 1.00 42.03 C ATOM 1256 OG SER A 80 6.615 9.529 2.824 1.00 55.42 O ATOM 0 H SER A 80 5.994 7.517 5.208 1.00 72.45 H new ATOM 0 HA SER A 80 5.890 6.614 3.180 1.00 52.13 H new ATOM 0 HB2 SER A 80 7.922 8.282 1.838 1.00 42.03 H new ATOM 0 HB3 SER A 80 6.229 8.051 1.445 1.00 42.03 H new ATOM 0 HG SER A 80 6.683 10.219 2.131 1.00 55.42 H new ATOM 1262 N MET A 81 8.277 5.832 1.897 1.00 30.32 N ATOM 1263 CA MET A 81 9.362 4.905 1.598 1.00 22.51 C ATOM 1264 C MET A 81 10.264 5.460 0.501 1.00 65.34 C ATOM 1265 O MET A 81 9.802 6.150 -0.408 1.00 31.11 O ATOM 1266 CB MET A 81 8.799 3.547 1.173 1.00 22.14 C ATOM 1267 CG MET A 81 7.507 3.646 0.379 1.00 40.40 C ATOM 1268 SD MET A 81 6.042 3.631 1.430 1.00 3.34 S ATOM 1269 CE MET A 81 5.183 5.086 0.835 1.00 5.25 C ATOM 0 H MET A 81 7.780 6.178 1.077 1.00 30.32 H new ATOM 0 HA MET A 81 9.956 4.777 2.503 1.00 22.51 H new ATOM 0 HB2 MET A 81 9.545 3.025 0.574 1.00 22.14 H new ATOM 0 HB3 MET A 81 8.624 2.941 2.062 1.00 22.14 H new ATOM 0 HG2 MET A 81 7.517 4.563 -0.211 1.00 40.40 H new ATOM 0 HG3 MET A 81 7.453 2.815 -0.325 1.00 40.40 H new ATOM 0 HE1 MET A 81 4.455 5.408 1.579 1.00 5.25 H new ATOM 0 HE2 MET A 81 5.902 5.887 0.660 1.00 5.25 H new ATOM 0 HE3 MET A 81 4.669 4.850 -0.097 1.00 5.25 H new ATOM 1279 N LYS A 82 11.555 5.154 0.591 1.00 55.53 N ATOM 1280 CA LYS A 82 12.522 5.622 -0.395 1.00 24.35 C ATOM 1281 C LYS A 82 12.487 7.142 -0.514 1.00 31.03 C ATOM 1282 O LYS A 82 11.969 7.685 -1.489 1.00 34.41 O ATOM 1283 CB LYS A 82 12.241 4.986 -1.758 1.00 32.02 C ATOM 1284 CG LYS A 82 12.008 3.486 -1.693 1.00 53.52 C ATOM 1285 CD LYS A 82 13.266 2.744 -1.276 1.00 11.05 C ATOM 1286 CE LYS A 82 13.509 1.524 -2.150 1.00 64.13 C ATOM 1287 NZ LYS A 82 12.667 0.367 -1.736 1.00 45.52 N ATOM 0 H LYS A 82 11.955 4.584 1.337 1.00 55.53 H new ATOM 0 HA LYS A 82 13.516 5.325 -0.061 1.00 24.35 H new ATOM 0 HB2 LYS A 82 11.365 5.463 -2.198 1.00 32.02 H new ATOM 0 HB3 LYS A 82 13.081 5.186 -2.423 1.00 32.02 H new ATOM 0 HG2 LYS A 82 11.207 3.272 -0.986 1.00 53.52 H new ATOM 0 HG3 LYS A 82 11.678 3.126 -2.667 1.00 53.52 H new ATOM 0 HD2 LYS A 82 14.123 3.415 -1.339 1.00 11.05 H new ATOM 0 HD3 LYS A 82 13.179 2.435 -0.234 1.00 11.05 H new ATOM 0 HE2 LYS A 82 13.296 1.774 -3.189 1.00 64.13 H new ATOM 0 HE3 LYS A 82 14.561 1.244 -2.098 1.00 64.13 H new ATOM 0 HZ1 LYS A 82 12.863 -0.444 -2.357 1.00 45.52 H new ATOM 0 HZ2 LYS A 82 12.888 0.112 -0.752 1.00 45.52 H new ATOM 0 HZ3 LYS A 82 11.662 0.625 -1.810 1.00 45.52 H new ATOM 1301 N GLU A 83 13.042 7.823 0.484 1.00 24.51 N ATOM 1302 CA GLU A 83 13.074 9.280 0.489 1.00 1.30 C ATOM 1303 C GLU A 83 13.946 9.809 -0.646 1.00 55.54 C ATOM 1304 O GLU A 83 13.557 10.731 -1.364 1.00 12.43 O ATOM 1305 CB GLU A 83 13.597 9.797 1.831 1.00 30.31 C ATOM 1306 CG GLU A 83 12.886 11.047 2.321 1.00 32.21 C ATOM 1307 CD GLU A 83 13.570 12.322 1.869 1.00 53.35 C ATOM 1308 OE1 GLU A 83 13.807 12.469 0.652 1.00 41.25 O ATOM 1309 OE2 GLU A 83 13.867 13.174 2.732 1.00 22.14 O ATOM 0 H GLU A 83 13.475 7.389 1.299 1.00 24.51 H new ATOM 0 HA GLU A 83 12.056 9.640 0.341 1.00 1.30 H new ATOM 0 HB2 GLU A 83 13.491 9.012 2.580 1.00 30.31 H new ATOM 0 HB3 GLU A 83 14.662 10.008 1.739 1.00 30.31 H new ATOM 0 HG2 GLU A 83 11.858 11.042 1.958 1.00 32.21 H new ATOM 0 HG3 GLU A 83 12.839 11.031 3.410 1.00 32.21 H new ATOM 1316 N ASP A 84 15.126 9.220 -0.802 1.00 74.35 N ATOM 1317 CA ASP A 84 16.053 9.630 -1.850 1.00 50.43 C ATOM 1318 C ASP A 84 15.615 9.087 -3.207 1.00 1.40 C ATOM 1319 O ASP A 84 15.756 9.757 -4.231 1.00 72.42 O ATOM 1320 CB ASP A 84 17.468 9.148 -1.526 1.00 52.25 C ATOM 1321 CG ASP A 84 17.922 9.573 -0.144 1.00 31.43 C ATOM 1322 OD1 ASP A 84 17.615 10.715 0.257 1.00 1.03 O ATOM 1323 OD2 ASP A 84 18.583 8.762 0.538 1.00 43.01 O ATOM 0 H ASP A 84 15.463 8.457 -0.216 1.00 74.35 H new ATOM 0 HA ASP A 84 16.050 10.719 -1.897 1.00 50.43 H new ATOM 0 HB2 ASP A 84 17.504 8.061 -1.599 1.00 52.25 H new ATOM 0 HB3 ASP A 84 18.162 9.540 -2.270 1.00 52.25 H new ATOM 1328 N THR A 85 15.084 7.869 -3.208 1.00 21.54 N ATOM 1329 CA THR A 85 14.628 7.234 -4.438 1.00 13.32 C ATOM 1330 C THR A 85 13.180 7.603 -4.742 1.00 63.13 C ATOM 1331 O THR A 85 12.567 7.047 -5.653 1.00 73.23 O ATOM 1332 CB THR A 85 14.749 5.701 -4.358 1.00 21.23 C ATOM 1333 OG1 THR A 85 15.380 5.323 -3.129 1.00 65.24 O ATOM 1334 CG2 THR A 85 15.549 5.159 -5.533 1.00 3.23 C ATOM 0 H THR A 85 14.959 7.302 -2.370 1.00 21.54 H new ATOM 0 HA THR A 85 15.270 7.600 -5.239 1.00 13.32 H new ATOM 0 HB THR A 85 13.746 5.277 -4.396 1.00 21.23 H new ATOM 0 HG1 THR A 85 15.452 4.347 -3.085 1.00 65.24 H new ATOM 0 HG21 THR A 85 15.621 4.074 -5.455 1.00 3.23 H new ATOM 0 HG22 THR A 85 15.050 5.423 -6.466 1.00 3.23 H new ATOM 0 HG23 THR A 85 16.550 5.591 -5.522 1.00 3.23 H new ATOM 1342 N ARG A 86 12.640 8.544 -3.975 1.00 22.11 N ATOM 1343 CA ARG A 86 11.264 8.986 -4.163 1.00 12.31 C ATOM 1344 C ARG A 86 11.101 9.702 -5.501 1.00 33.32 C ATOM 1345 O ARG A 86 11.754 10.713 -5.760 1.00 1.21 O ATOM 1346 CB ARG A 86 10.843 9.914 -3.022 1.00 4.24 C ATOM 1347 CG ARG A 86 9.500 9.556 -2.409 1.00 33.55 C ATOM 1348 CD ARG A 86 9.242 10.342 -1.133 1.00 31.44 C ATOM 1349 NE ARG A 86 9.572 11.756 -1.285 1.00 24.01 N ATOM 1350 CZ ARG A 86 8.863 12.601 -2.024 1.00 52.04 C ATOM 1351 NH1 ARG A 86 7.788 12.177 -2.675 1.00 65.43 N ATOM 1352 NH2 ARG A 86 9.227 13.874 -2.114 1.00 21.25 N ATOM 0 H ARG A 86 13.135 9.015 -3.217 1.00 22.11 H new ATOM 0 HA ARG A 86 10.623 8.105 -4.161 1.00 12.31 H new ATOM 0 HB2 ARG A 86 11.606 9.888 -2.244 1.00 4.24 H new ATOM 0 HB3 ARG A 86 10.801 10.938 -3.394 1.00 4.24 H new ATOM 0 HG2 ARG A 86 8.706 9.757 -3.128 1.00 33.55 H new ATOM 0 HG3 ARG A 86 9.471 8.488 -2.192 1.00 33.55 H new ATOM 0 HD2 ARG A 86 8.194 10.243 -0.852 1.00 31.44 H new ATOM 0 HD3 ARG A 86 9.832 9.918 -0.320 1.00 31.44 H new ATOM 0 HE ARG A 86 10.393 12.115 -0.797 1.00 24.01 H new ATOM 0 HH11 ARG A 86 7.504 11.200 -2.609 1.00 65.43 H new ATOM 0 HH12 ARG A 86 7.245 12.828 -3.242 1.00 65.43 H new ATOM 0 HH21 ARG A 86 10.053 14.205 -1.615 1.00 21.25 H new ATOM 0 HH22 ARG A 86 8.681 14.522 -2.682 1.00 21.25 H new ATOM 1366 N LEU A 87 10.226 9.170 -6.347 1.00 73.01 N ATOM 1367 CA LEU A 87 9.977 9.757 -7.659 1.00 74.13 C ATOM 1368 C LEU A 87 8.758 10.673 -7.624 1.00 35.15 C ATOM 1369 O LEU A 87 8.799 11.797 -8.123 1.00 24.31 O ATOM 1370 CB LEU A 87 9.771 8.656 -8.702 1.00 4.25 C ATOM 1371 CG LEU A 87 10.680 8.717 -9.930 1.00 12.30 C ATOM 1372 CD1 LEU A 87 10.218 7.724 -10.985 1.00 51.43 C ATOM 1373 CD2 LEU A 87 10.712 10.128 -10.500 1.00 72.10 C ATOM 0 H LEU A 87 9.677 8.334 -6.148 1.00 73.01 H new ATOM 0 HA LEU A 87 10.848 10.352 -7.934 1.00 74.13 H new ATOM 0 HB2 LEU A 87 9.915 7.691 -8.216 1.00 4.25 H new ATOM 0 HB3 LEU A 87 8.735 8.692 -9.039 1.00 4.25 H new ATOM 0 HG LEU A 87 11.691 8.447 -9.624 1.00 12.30 H new ATOM 0 HD11 LEU A 87 10.876 7.781 -11.852 1.00 51.43 H new ATOM 0 HD12 LEU A 87 10.247 6.715 -10.573 1.00 51.43 H new ATOM 0 HD13 LEU A 87 9.198 7.963 -11.288 1.00 51.43 H new ATOM 0 HD21 LEU A 87 11.364 10.153 -11.373 1.00 72.10 H new ATOM 0 HD22 LEU A 87 9.705 10.426 -10.790 1.00 72.10 H new ATOM 0 HD23 LEU A 87 11.091 10.817 -9.745 1.00 72.10 H new ATOM 1385 N GLU A 88 7.674 10.185 -7.028 1.00 20.33 N ATOM 1386 CA GLU A 88 6.444 10.961 -6.926 1.00 31.03 C ATOM 1387 C GLU A 88 5.736 10.688 -5.602 1.00 23.44 C ATOM 1388 O GLU A 88 6.158 9.832 -4.825 1.00 21.11 O ATOM 1389 CB GLU A 88 5.510 10.634 -8.093 1.00 31.13 C ATOM 1390 CG GLU A 88 5.046 11.859 -8.863 1.00 31.22 C ATOM 1391 CD GLU A 88 4.564 11.521 -10.260 1.00 52.33 C ATOM 1392 OE1 GLU A 88 5.130 10.593 -10.875 1.00 4.14 O ATOM 1393 OE2 GLU A 88 3.621 12.185 -10.740 1.00 31.24 O ATOM 0 H GLU A 88 7.623 9.256 -6.609 1.00 20.33 H new ATOM 0 HA GLU A 88 6.708 12.018 -6.966 1.00 31.03 H new ATOM 0 HB2 GLU A 88 6.021 9.957 -8.778 1.00 31.13 H new ATOM 0 HB3 GLU A 88 4.638 10.103 -7.712 1.00 31.13 H new ATOM 0 HG2 GLU A 88 4.241 12.346 -8.313 1.00 31.22 H new ATOM 0 HG3 GLU A 88 5.866 12.574 -8.929 1.00 31.22 H new ATOM 1400 N GLY A 89 4.657 11.423 -5.351 1.00 72.42 N ATOM 1401 CA GLY A 89 3.908 11.246 -4.121 1.00 30.32 C ATOM 1402 C GLY A 89 4.396 12.153 -3.009 1.00 43.33 C ATOM 1403 O GLY A 89 5.198 13.062 -3.228 1.00 31.13 O ATOM 0 H GLY A 89 4.288 12.138 -5.978 1.00 72.42 H new ATOM 0 HA2 GLY A 89 2.853 11.444 -4.310 1.00 30.32 H new ATOM 0 HA3 GLY A 89 3.985 10.208 -3.799 1.00 30.32 H new ATOM 1407 N PRO A 90 3.907 11.911 -1.784 1.00 54.33 N ATOM 1408 CA PRO A 90 2.951 10.833 -1.512 1.00 42.24 C ATOM 1409 C PRO A 90 1.578 11.111 -2.114 1.00 34.53 C ATOM 1410 O PRO A 90 1.302 12.220 -2.570 1.00 43.11 O ATOM 1411 CB PRO A 90 2.871 10.808 0.016 1.00 73.31 C ATOM 1412 CG PRO A 90 3.243 12.187 0.438 1.00 54.20 C ATOM 1413 CD PRO A 90 4.247 12.672 -0.570 1.00 63.03 C ATOM 0 HA PRO A 90 3.267 9.887 -1.951 1.00 42.24 H new ATOM 0 HB2 PRO A 90 1.869 10.547 0.356 1.00 73.31 H new ATOM 0 HB3 PRO A 90 3.553 10.068 0.436 1.00 73.31 H new ATOM 0 HG2 PRO A 90 2.368 12.837 0.462 1.00 54.20 H new ATOM 0 HG3 PRO A 90 3.667 12.187 1.442 1.00 54.20 H new ATOM 0 HD2 PRO A 90 4.165 13.747 -0.733 1.00 63.03 H new ATOM 0 HD3 PRO A 90 5.269 12.476 -0.246 1.00 63.03 H new ATOM 1421 N TRP A 91 0.720 10.097 -2.110 1.00 61.53 N ATOM 1422 CA TRP A 91 -0.626 10.232 -2.656 1.00 1.34 C ATOM 1423 C TRP A 91 -1.646 9.525 -1.770 1.00 1.41 C ATOM 1424 O TRP A 91 -1.387 8.437 -1.257 1.00 43.15 O ATOM 1425 CB TRP A 91 -0.683 9.664 -4.074 1.00 72.24 C ATOM 1426 CG TRP A 91 -0.035 10.549 -5.096 1.00 21.14 C ATOM 1427 CD1 TRP A 91 -0.040 11.914 -5.118 1.00 54.44 C ATOM 1428 CD2 TRP A 91 0.712 10.129 -6.243 1.00 0.43 C ATOM 1429 NE1 TRP A 91 0.658 12.369 -6.211 1.00 2.12 N ATOM 1430 CE2 TRP A 91 1.130 11.294 -6.916 1.00 25.10 C ATOM 1431 CE3 TRP A 91 1.070 8.884 -6.766 1.00 31.14 C ATOM 1432 CZ2 TRP A 91 1.887 11.247 -8.084 1.00 74.11 C ATOM 1433 CZ3 TRP A 91 1.820 8.839 -7.925 1.00 61.02 C ATOM 1434 CH2 TRP A 91 2.223 10.014 -8.574 1.00 14.02 C ATOM 0 H TRP A 91 0.932 9.173 -1.735 1.00 61.53 H new ATOM 0 HA TRP A 91 -0.874 11.293 -2.688 1.00 1.34 H new ATOM 0 HB2 TRP A 91 -0.196 8.689 -4.087 1.00 72.24 H new ATOM 0 HB3 TRP A 91 -1.725 9.503 -4.352 1.00 72.24 H new ATOM 0 HD1 TRP A 91 -0.522 12.544 -4.384 1.00 54.44 H new ATOM 0 HE1 TRP A 91 0.801 13.348 -6.457 1.00 2.12 H new ATOM 0 HE3 TRP A 91 0.766 7.973 -6.273 1.00 31.14 H new ATOM 0 HZ2 TRP A 91 2.198 12.152 -8.585 1.00 74.11 H new ATOM 0 HZ3 TRP A 91 2.101 7.882 -8.338 1.00 61.02 H new ATOM 0 HH2 TRP A 91 2.810 9.945 -9.478 1.00 14.02 H new ATOM 1445 N GLU A 92 -2.806 10.151 -1.594 1.00 44.14 N ATOM 1446 CA GLU A 92 -3.864 9.580 -0.769 1.00 43.14 C ATOM 1447 C GLU A 92 -5.122 9.330 -1.595 1.00 73.42 C ATOM 1448 O GLU A 92 -5.411 10.059 -2.544 1.00 2.30 O ATOM 1449 CB GLU A 92 -4.186 10.511 0.402 1.00 62.51 C ATOM 1450 CG GLU A 92 -3.055 10.634 1.410 1.00 53.44 C ATOM 1451 CD GLU A 92 -3.556 10.851 2.824 1.00 31.24 C ATOM 1452 OE1 GLU A 92 -4.546 10.195 3.211 1.00 53.53 O ATOM 1453 OE2 GLU A 92 -2.957 11.676 3.545 1.00 23.14 O ATOM 0 H GLU A 92 -3.036 11.053 -2.011 1.00 44.14 H new ATOM 0 HA GLU A 92 -3.511 8.626 -0.379 1.00 43.14 H new ATOM 0 HB2 GLU A 92 -4.424 11.501 0.013 1.00 62.51 H new ATOM 0 HB3 GLU A 92 -5.078 10.145 0.912 1.00 62.51 H new ATOM 0 HG2 GLU A 92 -2.446 9.731 1.379 1.00 53.44 H new ATOM 0 HG3 GLU A 92 -2.409 11.464 1.126 1.00 53.44 H new ATOM 1460 N TYR A 93 -5.867 8.293 -1.228 1.00 30.14 N ATOM 1461 CA TYR A 93 -7.093 7.943 -1.935 1.00 41.44 C ATOM 1462 C TYR A 93 -8.172 7.481 -0.961 1.00 2.23 C ATOM 1463 O TYR A 93 -7.885 7.148 0.188 1.00 30.32 O ATOM 1464 CB TYR A 93 -6.817 6.847 -2.966 1.00 21.15 C ATOM 1465 CG TYR A 93 -5.964 7.307 -4.126 1.00 51.21 C ATOM 1466 CD1 TYR A 93 -4.584 7.411 -4.002 1.00 13.21 C ATOM 1467 CD2 TYR A 93 -6.539 7.637 -5.348 1.00 5.24 C ATOM 1468 CE1 TYR A 93 -3.802 7.832 -5.059 1.00 44.14 C ATOM 1469 CE2 TYR A 93 -5.763 8.058 -6.411 1.00 74.41 C ATOM 1470 CZ TYR A 93 -4.396 8.154 -6.262 1.00 24.11 C ATOM 1471 OH TYR A 93 -3.619 8.572 -7.318 1.00 52.23 O ATOM 0 H TYR A 93 -5.643 7.680 -0.444 1.00 30.14 H new ATOM 0 HA TYR A 93 -7.452 8.834 -2.449 1.00 41.44 H new ATOM 0 HB2 TYR A 93 -6.322 6.011 -2.471 1.00 21.15 H new ATOM 0 HB3 TYR A 93 -7.766 6.474 -3.350 1.00 21.15 H new ATOM 0 HD1 TYR A 93 -4.115 7.158 -3.063 1.00 13.21 H new ATOM 0 HD2 TYR A 93 -7.610 7.563 -5.468 1.00 5.24 H new ATOM 0 HE1 TYR A 93 -2.731 7.909 -4.945 1.00 44.14 H new ATOM 0 HE2 TYR A 93 -6.225 8.311 -7.354 1.00 74.41 H new ATOM 0 HH TYR A 93 -4.191 8.758 -8.092 1.00 52.23 H new ATOM 1481 N GLY A 94 -9.416 7.464 -1.430 1.00 21.22 N ATOM 1482 CA GLY A 94 -10.520 7.041 -0.588 1.00 70.44 C ATOM 1483 C GLY A 94 -10.707 7.939 0.618 1.00 0.11 C ATOM 1484 O GLY A 94 -10.517 9.152 0.532 1.00 62.43 O ATOM 0 H GLY A 94 -9.679 7.735 -2.377 1.00 21.22 H new ATOM 0 HA2 GLY A 94 -11.438 7.031 -1.176 1.00 70.44 H new ATOM 0 HA3 GLY A 94 -10.346 6.019 -0.252 1.00 70.44 H new ATOM 1488 N GLU A 95 -11.082 7.343 1.746 1.00 73.05 N ATOM 1489 CA GLU A 95 -11.297 8.099 2.974 1.00 55.14 C ATOM 1490 C GLU A 95 -12.365 9.171 2.773 1.00 42.04 C ATOM 1491 O GLU A 95 -13.557 8.871 2.717 1.00 22.12 O ATOM 1492 CB GLU A 95 -9.990 8.746 3.436 1.00 32.12 C ATOM 1493 CG GLU A 95 -10.185 9.836 4.477 1.00 73.22 C ATOM 1494 CD GLU A 95 -10.207 11.225 3.870 1.00 44.14 C ATOM 1495 OE1 GLU A 95 -10.482 11.339 2.657 1.00 0.11 O ATOM 1496 OE2 GLU A 95 -9.948 12.199 4.608 1.00 20.41 O ATOM 0 H GLU A 95 -11.243 6.340 1.834 1.00 73.05 H new ATOM 0 HA GLU A 95 -11.642 7.406 3.741 1.00 55.14 H new ATOM 0 HB2 GLU A 95 -9.338 7.975 3.847 1.00 32.12 H new ATOM 0 HB3 GLU A 95 -9.478 9.168 2.571 1.00 32.12 H new ATOM 0 HG2 GLU A 95 -11.120 9.661 5.010 1.00 73.22 H new ATOM 0 HG3 GLU A 95 -9.383 9.778 5.213 1.00 73.22 H new