USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 743 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 31 GLN : amide:sc= -3.87 K(o=-6.7,f=-13!) USER MOD Set 1.2: A 81 MET CE :methyl -165:sc= -2.8 (180deg=-2.92!) USER MOD Set 2.1: A 22 HIS : no HD1:sc= -8.52! C(o=-20!,f=-22!) USER MOD Set 2.2: A 24 SER OG : rot -170:sc= -0.439 USER MOD Set 2.3: A 25 MET CE :methyl -153:sc= -4.06! (180deg=-5.85!) USER MOD Set 2.4: A 48 MET CE :methyl -110:sc= -2.66 (180deg=-1.08) USER MOD Set 2.5: A 57 MET CE :methyl -112:sc= -4.26! (180deg=-7.77!) USER MOD Set 3.1: A 11 THR OG1 : rot -49:sc= 1.21 USER MOD Set 3.2: A 43 GLN :FLIP amide:sc= 0.684 F(o=-0.61,f=1.9) USER MOD Set 4.1: A 7 CYS SG : rot 180:sc= 0 USER MOD Set 4.2: A 9 CYS SG : rot 1:sc= 0.958 USER MOD Set 4.3: A 72 THR OG1 : rot 121:sc= 1.17 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 ASN : amide:sc= -0.322 K(o=-0.32,f=-0.99) USER MOD Single : A 14 ASN : amide:sc= -0.651 K(o=-0.65,f=-4.2!) USER MOD Single : A 17 SER OG : rot 180:sc= -0.162 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 110:sc= -1.74 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= -1.51 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 ASN : amide:sc= -0.127 X(o=-0.13,f=-0.13) USER MOD Single : A 41 HIS : no HE2:sc= -4.01 K(o=-4,f=-4.6) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 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 -160:sc= -0.0753 USER MOD Single : A 53 SER OG : rot 180:sc= 0.0701 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= -0.0129 X(o=-0.013,f=0) USER MOD Single : A 68 LYS NZ :NH3+ -127:sc= 0.292 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -1.22 X(o=-1.2,f=-1.7) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot -14:sc= 0.295 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 12:sc= 0.486 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -13.626 2.374 17.126 1.00 35.11 N ATOM 2 CA ALA A 2 -13.125 1.905 18.412 1.00 14.11 C ATOM 3 C ALA A 2 -11.836 1.109 18.242 1.00 71.02 C ATOM 4 O ALA A 2 -10.830 1.393 18.891 1.00 5.30 O ATOM 5 CB ALA A 2 -14.180 1.062 19.114 1.00 61.03 C ATOM 0 HA ALA A 2 -12.904 2.777 19.028 1.00 14.11 H new ATOM 0 HB1 ALA A 2 -13.792 0.718 20.073 1.00 61.03 H new ATOM 0 HB2 ALA A 2 -15.075 1.662 19.278 1.00 61.03 H new ATOM 0 HB3 ALA A 2 -14.429 0.201 18.494 1.00 61.03 H new ATOM 11 N ARG A 3 -11.874 0.111 17.365 1.00 20.54 N ATOM 12 CA ARG A 3 -10.709 -0.728 17.112 1.00 63.02 C ATOM 13 C ARG A 3 -9.922 -0.216 15.909 1.00 71.24 C ATOM 14 O ARG A 3 -10.502 0.156 14.889 1.00 73.50 O ATOM 15 CB ARG A 3 -11.138 -2.177 16.875 1.00 54.03 C ATOM 16 CG ARG A 3 -10.187 -3.200 17.474 1.00 34.11 C ATOM 17 CD ARG A 3 -10.355 -4.564 16.824 1.00 60.42 C ATOM 18 NE ARG A 3 -11.221 -5.442 17.607 1.00 2.43 N ATOM 19 CZ ARG A 3 -11.519 -6.687 17.254 1.00 44.02 C ATOM 20 NH1 ARG A 3 -11.022 -7.199 16.136 1.00 54.00 N ATOM 21 NH2 ARG A 3 -12.314 -7.423 18.020 1.00 61.15 N ATOM 0 H ARG A 3 -12.699 -0.136 16.818 1.00 20.54 H new ATOM 0 HA ARG A 3 -10.065 -0.687 17.991 1.00 63.02 H new ATOM 0 HB2 ARG A 3 -12.132 -2.326 17.297 1.00 54.03 H new ATOM 0 HB3 ARG A 3 -11.218 -2.352 15.802 1.00 54.03 H new ATOM 0 HG2 ARG A 3 -9.159 -2.860 17.348 1.00 34.11 H new ATOM 0 HG3 ARG A 3 -10.367 -3.282 18.546 1.00 34.11 H new ATOM 0 HD2 ARG A 3 -10.773 -4.440 15.825 1.00 60.42 H new ATOM 0 HD3 ARG A 3 -9.378 -5.031 16.705 1.00 60.42 H new ATOM 0 HE ARG A 3 -11.619 -5.079 18.473 1.00 2.43 H new ATOM 0 HH11 ARG A 3 -10.410 -6.636 15.546 1.00 54.00 H new ATOM 0 HH12 ARG A 3 -11.252 -8.156 15.867 1.00 54.00 H new ATOM 0 HH21 ARG A 3 -12.697 -7.033 18.881 1.00 61.15 H new ATOM 0 HH22 ARG A 3 -12.542 -8.379 17.748 1.00 61.15 H new ATOM 35 N GLN A 4 -8.599 -0.200 16.036 1.00 12.14 N ATOM 36 CA GLN A 4 -7.734 0.268 14.960 1.00 61.51 C ATOM 37 C GLN A 4 -7.044 -0.904 14.269 1.00 44.21 C ATOM 38 O GLN A 4 -6.833 -1.957 14.871 1.00 2.41 O ATOM 39 CB GLN A 4 -6.688 1.242 15.504 1.00 12.13 C ATOM 40 CG GLN A 4 -6.994 2.698 15.194 1.00 41.52 C ATOM 41 CD GLN A 4 -5.916 3.640 15.693 1.00 42.33 C ATOM 42 OE1 GLN A 4 -5.608 3.675 16.885 1.00 73.24 O ATOM 43 NE2 GLN A 4 -5.334 4.411 14.781 1.00 14.10 N ATOM 0 H GLN A 4 -8.103 -0.506 16.873 1.00 12.14 H new ATOM 0 HA GLN A 4 -8.354 0.785 14.228 1.00 61.51 H new ATOM 0 HB2 GLN A 4 -6.614 1.117 16.584 1.00 12.13 H new ATOM 0 HB3 GLN A 4 -5.714 0.987 15.086 1.00 12.13 H new ATOM 0 HG2 GLN A 4 -7.108 2.820 14.117 1.00 41.52 H new ATOM 0 HG3 GLN A 4 -7.947 2.970 15.648 1.00 41.52 H new ATOM 0 HE21 GLN A 4 -5.620 4.350 13.804 1.00 14.10 H new ATOM 0 HE22 GLN A 4 -4.601 5.064 15.058 1.00 14.10 H new ATOM 52 N VAL A 5 -6.694 -0.714 13.001 1.00 41.44 N ATOM 53 CA VAL A 5 -6.027 -1.754 12.227 1.00 24.13 C ATOM 54 C VAL A 5 -4.661 -1.285 11.739 1.00 62.14 C ATOM 55 O VAL A 5 -4.402 -0.085 11.645 1.00 15.33 O ATOM 56 CB VAL A 5 -6.874 -2.183 11.015 1.00 50.02 C ATOM 57 CG1 VAL A 5 -8.236 -2.687 11.467 1.00 53.44 C ATOM 58 CG2 VAL A 5 -7.021 -1.030 10.034 1.00 53.24 C ATOM 0 H VAL A 5 -6.861 0.151 12.488 1.00 41.44 H new ATOM 0 HA VAL A 5 -5.898 -2.609 12.891 1.00 24.13 H new ATOM 0 HB VAL A 5 -6.362 -3.000 10.506 1.00 50.02 H new ATOM 0 HG11 VAL A 5 -8.821 -2.986 10.597 1.00 53.44 H new ATOM 0 HG12 VAL A 5 -8.106 -3.544 12.128 1.00 53.44 H new ATOM 0 HG13 VAL A 5 -8.759 -1.893 12.000 1.00 53.44 H new ATOM 0 HG21 VAL A 5 -7.622 -1.350 9.183 1.00 53.24 H new ATOM 0 HG22 VAL A 5 -7.510 -0.191 10.529 1.00 53.24 H new ATOM 0 HG23 VAL A 5 -6.036 -0.721 9.686 1.00 53.24 H new ATOM 68 N ILE A 6 -3.790 -2.239 11.427 1.00 32.35 N ATOM 69 CA ILE A 6 -2.451 -1.924 10.946 1.00 0.44 C ATOM 70 C ILE A 6 -2.441 -1.735 9.433 1.00 24.42 C ATOM 71 O ILE A 6 -3.232 -2.349 8.716 1.00 44.03 O ATOM 72 CB ILE A 6 -1.443 -3.026 11.322 1.00 33.12 C ATOM 73 CG1 ILE A 6 -1.500 -3.308 12.825 1.00 4.00 C ATOM 74 CG2 ILE A 6 -0.037 -2.622 10.906 1.00 62.42 C ATOM 75 CD1 ILE A 6 -2.487 -4.391 13.200 1.00 12.52 C ATOM 0 H ILE A 6 -3.988 -3.237 11.499 1.00 32.35 H new ATOM 0 HA ILE A 6 -2.154 -0.993 11.428 1.00 0.44 H new ATOM 0 HB ILE A 6 -1.710 -3.939 10.790 1.00 33.12 H new ATOM 0 HG12 ILE A 6 -0.507 -3.597 13.170 1.00 4.00 H new ATOM 0 HG13 ILE A 6 -1.764 -2.389 13.349 1.00 4.00 H new ATOM 0 HG21 ILE A 6 0.664 -3.411 11.179 1.00 62.42 H new ATOM 0 HG22 ILE A 6 -0.007 -2.467 9.828 1.00 62.42 H new ATOM 0 HG23 ILE A 6 0.241 -1.698 11.413 1.00 62.42 H new ATOM 0 HD11 ILE A 6 -2.474 -4.537 14.280 1.00 12.52 H new ATOM 0 HD12 ILE A 6 -3.488 -4.095 12.886 1.00 12.52 H new ATOM 0 HD13 ILE A 6 -2.211 -5.322 12.704 1.00 12.52 H new ATOM 87 N CYS A 7 -1.539 -0.885 8.955 1.00 72.24 N ATOM 88 CA CYS A 7 -1.425 -0.617 7.526 1.00 44.45 C ATOM 89 C CYS A 7 -0.691 -1.750 6.816 1.00 23.14 C ATOM 90 O CYS A 7 0.080 -2.485 7.434 1.00 71.55 O ATOM 91 CB CYS A 7 -0.693 0.706 7.291 1.00 33.01 C ATOM 92 SG CYS A 7 1.082 0.637 7.626 1.00 42.21 S ATOM 0 H CYS A 7 -0.877 -0.370 9.535 1.00 72.24 H new ATOM 0 HA CYS A 7 -2.432 -0.546 7.114 1.00 44.45 H new ATOM 0 HB2 CYS A 7 -0.845 1.014 6.257 1.00 33.01 H new ATOM 0 HB3 CYS A 7 -1.141 1.474 7.921 1.00 33.01 H new ATOM 0 HG CYS A 7 1.613 1.801 7.396 1.00 42.21 H new ATOM 98 N TRP A 8 -0.937 -1.886 5.518 1.00 4.05 N ATOM 99 CA TRP A 8 -0.300 -2.932 4.726 1.00 51.35 C ATOM 100 C TRP A 8 0.781 -2.348 3.822 1.00 33.11 C ATOM 101 O TRP A 8 0.486 -1.591 2.896 1.00 64.50 O ATOM 102 CB TRP A 8 -1.343 -3.668 3.883 1.00 33.05 C ATOM 103 CG TRP A 8 -2.309 -4.470 4.702 1.00 14.43 C ATOM 104 CD1 TRP A 8 -3.247 -3.986 5.570 1.00 42.02 C ATOM 105 CD2 TRP A 8 -2.431 -5.896 4.731 1.00 1.23 C ATOM 106 NE1 TRP A 8 -3.944 -5.026 6.136 1.00 2.14 N ATOM 107 CE2 TRP A 8 -3.463 -6.208 5.638 1.00 40.41 C ATOM 108 CE3 TRP A 8 -1.770 -6.940 4.078 1.00 0.34 C ATOM 109 CZ2 TRP A 8 -3.846 -7.519 5.907 1.00 52.13 C ATOM 110 CZ3 TRP A 8 -2.151 -8.241 4.347 1.00 53.55 C ATOM 111 CH2 TRP A 8 -3.182 -8.521 5.253 1.00 20.24 C ATOM 0 H TRP A 8 -1.572 -1.286 4.992 1.00 4.05 H new ATOM 0 HA TRP A 8 0.168 -3.638 5.412 1.00 51.35 H new ATOM 0 HB2 TRP A 8 -1.897 -2.942 3.288 1.00 33.05 H new ATOM 0 HB3 TRP A 8 -0.833 -4.330 3.184 1.00 33.05 H new ATOM 0 HD1 TRP A 8 -3.416 -2.940 5.780 1.00 42.02 H new ATOM 0 HE1 TRP A 8 -4.698 -4.933 6.817 1.00 2.14 H new ATOM 0 HE3 TRP A 8 -0.976 -6.734 3.376 1.00 0.34 H new ATOM 0 HZ2 TRP A 8 -4.639 -7.738 6.607 1.00 52.13 H new ATOM 0 HZ3 TRP A 8 -1.645 -9.056 3.850 1.00 53.55 H new ATOM 0 HH2 TRP A 8 -3.458 -9.548 5.439 1.00 20.24 H new ATOM 122 N CYS A 9 2.031 -2.704 4.097 1.00 54.04 N ATOM 123 CA CYS A 9 3.156 -2.214 3.308 1.00 73.31 C ATOM 124 C CYS A 9 3.516 -3.202 2.203 1.00 21.12 C ATOM 125 O CYS A 9 3.905 -4.338 2.474 1.00 30.45 O ATOM 126 CB CYS A 9 4.369 -1.972 4.207 1.00 14.54 C ATOM 127 SG CYS A 9 3.997 -1.040 5.712 1.00 43.43 S ATOM 0 H CYS A 9 2.291 -3.330 4.860 1.00 54.04 H new ATOM 0 HA CYS A 9 2.861 -1.272 2.846 1.00 73.31 H new ATOM 0 HB2 CYS A 9 4.800 -2.934 4.485 1.00 14.54 H new ATOM 0 HB3 CYS A 9 5.128 -1.435 3.638 1.00 14.54 H new ATOM 0 HG CYS A 9 2.728 -0.762 5.747 1.00 43.43 H new ATOM 133 N PHE A 10 3.383 -2.762 0.956 1.00 12.14 N ATOM 134 CA PHE A 10 3.692 -3.608 -0.190 1.00 73.23 C ATOM 135 C PHE A 10 4.466 -2.828 -1.249 1.00 25.53 C ATOM 136 O PHE A 10 4.495 -1.597 -1.233 1.00 63.42 O ATOM 137 CB PHE A 10 2.405 -4.172 -0.796 1.00 71.12 C ATOM 138 CG PHE A 10 1.787 -3.277 -1.832 1.00 3.51 C ATOM 139 CD1 PHE A 10 1.179 -2.087 -1.464 1.00 73.22 C ATOM 140 CD2 PHE A 10 1.816 -3.624 -3.173 1.00 11.51 C ATOM 141 CE1 PHE A 10 0.609 -1.262 -2.415 1.00 40.22 C ATOM 142 CE2 PHE A 10 1.248 -2.802 -4.128 1.00 42.25 C ATOM 143 CZ PHE A 10 0.645 -1.619 -3.749 1.00 51.10 C ATOM 0 H PHE A 10 3.063 -1.824 0.714 1.00 12.14 H new ATOM 0 HA PHE A 10 4.315 -4.433 0.156 1.00 73.23 H new ATOM 0 HB2 PHE A 10 2.619 -5.141 -1.246 1.00 71.12 H new ATOM 0 HB3 PHE A 10 1.682 -4.344 0.002 1.00 71.12 H new ATOM 0 HD1 PHE A 10 1.150 -1.801 -0.423 1.00 73.22 H new ATOM 0 HD2 PHE A 10 2.288 -4.547 -3.476 1.00 11.51 H new ATOM 0 HE1 PHE A 10 0.136 -0.339 -2.115 1.00 40.22 H new ATOM 0 HE2 PHE A 10 1.276 -3.085 -5.170 1.00 42.25 H new ATOM 0 HZ PHE A 10 0.202 -0.974 -4.494 1.00 51.10 H new ATOM 153 N THR A 11 5.095 -3.554 -2.168 1.00 60.51 N ATOM 154 CA THR A 11 5.872 -2.933 -3.233 1.00 52.21 C ATOM 155 C THR A 11 5.505 -3.515 -4.593 1.00 72.42 C ATOM 156 O THR A 11 5.489 -4.734 -4.775 1.00 3.45 O ATOM 157 CB THR A 11 7.384 -3.110 -3.002 1.00 63.54 C ATOM 158 OG1 THR A 11 7.702 -2.866 -1.628 1.00 3.32 O ATOM 159 CG2 THR A 11 8.182 -2.165 -3.889 1.00 34.44 C ATOM 0 H THR A 11 5.081 -4.574 -2.196 1.00 60.51 H new ATOM 0 HA THR A 11 5.632 -1.870 -3.220 1.00 52.21 H new ATOM 0 HB THR A 11 7.650 -4.135 -3.259 1.00 63.54 H new ATOM 0 HG1 THR A 11 7.293 -2.022 -1.342 1.00 3.32 H new ATOM 0 HG21 THR A 11 9.247 -2.309 -3.708 1.00 34.44 H new ATOM 0 HG22 THR A 11 7.960 -2.374 -4.936 1.00 34.44 H new ATOM 0 HG23 THR A 11 7.911 -1.135 -3.660 1.00 34.44 H new ATOM 167 N LEU A 12 5.211 -2.639 -5.547 1.00 53.20 N ATOM 168 CA LEU A 12 4.844 -3.067 -6.893 1.00 5.42 C ATOM 169 C LEU A 12 5.961 -2.758 -7.885 1.00 51.51 C ATOM 170 O LEU A 12 6.377 -1.609 -8.028 1.00 51.32 O ATOM 171 CB LEU A 12 3.551 -2.380 -7.333 1.00 54.22 C ATOM 172 CG LEU A 12 2.681 -3.157 -8.322 1.00 62.03 C ATOM 173 CD1 LEU A 12 2.342 -4.532 -7.769 1.00 34.15 C ATOM 174 CD2 LEU A 12 1.412 -2.380 -8.642 1.00 22.34 C ATOM 0 H LEU A 12 5.219 -1.628 -5.414 1.00 53.20 H new ATOM 0 HA LEU A 12 4.687 -4.145 -6.875 1.00 5.42 H new ATOM 0 HB2 LEU A 12 2.956 -2.168 -6.445 1.00 54.22 H new ATOM 0 HB3 LEU A 12 3.808 -1.420 -7.782 1.00 54.22 H new ATOM 0 HG LEU A 12 3.244 -3.289 -9.246 1.00 62.03 H new ATOM 0 HD11 LEU A 12 1.722 -5.070 -8.486 1.00 34.15 H new ATOM 0 HD12 LEU A 12 3.262 -5.090 -7.593 1.00 34.15 H new ATOM 0 HD13 LEU A 12 1.799 -4.423 -6.830 1.00 34.15 H new ATOM 0 HD21 LEU A 12 0.805 -2.948 -9.347 1.00 22.34 H new ATOM 0 HD22 LEU A 12 0.845 -2.216 -7.726 1.00 22.34 H new ATOM 0 HD23 LEU A 12 1.675 -1.419 -9.083 1.00 22.34 H new ATOM 186 N ASN A 13 6.440 -3.791 -8.570 1.00 21.13 N ATOM 187 CA ASN A 13 7.507 -3.629 -9.550 1.00 63.55 C ATOM 188 C ASN A 13 6.970 -3.785 -10.970 1.00 13.41 C ATOM 189 O ASN A 13 6.320 -4.778 -11.293 1.00 52.21 O ATOM 190 CB ASN A 13 8.618 -4.651 -9.299 1.00 61.34 C ATOM 191 CG ASN A 13 8.105 -6.078 -9.314 1.00 61.34 C ATOM 192 OD1 ASN A 13 7.937 -6.678 -10.376 1.00 54.13 O ATOM 193 ND2 ASN A 13 7.854 -6.629 -8.132 1.00 60.15 N ATOM 0 H ASN A 13 6.106 -4.749 -8.464 1.00 21.13 H new ATOM 0 HA ASN A 13 7.915 -2.624 -9.443 1.00 63.55 H new ATOM 0 HB2 ASN A 13 9.391 -4.538 -10.059 1.00 61.34 H new ATOM 0 HB3 ASN A 13 9.086 -4.446 -8.336 1.00 61.34 H new ATOM 0 HD21 ASN A 13 7.507 -7.587 -8.079 1.00 60.15 H new ATOM 0 HD22 ASN A 13 8.008 -6.094 -7.277 1.00 60.15 H new ATOM 200 N ASN A 14 7.247 -2.795 -11.813 1.00 74.21 N ATOM 201 CA ASN A 14 6.791 -2.821 -13.198 1.00 60.52 C ATOM 202 C ASN A 14 5.295 -3.110 -13.273 1.00 53.34 C ATOM 203 O ASN A 14 4.861 -4.140 -13.789 1.00 52.25 O ATOM 204 CB ASN A 14 7.565 -3.876 -13.992 1.00 3.13 C ATOM 205 CG ASN A 14 7.247 -3.833 -15.474 1.00 20.32 C ATOM 206 OD1 ASN A 14 6.277 -3.202 -15.894 1.00 2.11 O ATOM 207 ND2 ASN A 14 8.065 -4.507 -16.274 1.00 32.40 N ATOM 0 H ASN A 14 7.785 -1.966 -11.561 1.00 74.21 H new ATOM 0 HA ASN A 14 6.976 -1.839 -13.633 1.00 60.52 H new ATOM 0 HB2 ASN A 14 8.635 -3.723 -13.848 1.00 3.13 H new ATOM 0 HB3 ASN A 14 7.330 -4.866 -13.601 1.00 3.13 H new ATOM 0 HD21 ASN A 14 7.901 -4.516 -17.281 1.00 32.40 H new ATOM 0 HD22 ASN A 14 8.857 -5.016 -15.882 1.00 32.40 H new ATOM 214 N PRO A 15 4.486 -2.178 -12.747 1.00 34.40 N ATOM 215 CA PRO A 15 3.026 -2.309 -12.743 1.00 55.01 C ATOM 216 C PRO A 15 2.428 -2.179 -14.140 1.00 1.10 C ATOM 217 O PRO A 15 3.135 -1.878 -15.103 1.00 13.20 O ATOM 218 CB PRO A 15 2.568 -1.149 -11.856 1.00 0.43 C ATOM 219 CG PRO A 15 3.661 -0.141 -11.956 1.00 30.31 C ATOM 220 CD PRO A 15 4.934 -0.926 -12.116 1.00 12.15 C ATOM 0 HA PRO A 15 2.706 -3.288 -12.387 1.00 55.01 H new ATOM 0 HB2 PRO A 15 1.618 -0.739 -12.200 1.00 0.43 H new ATOM 0 HB3 PRO A 15 2.421 -1.473 -10.826 1.00 0.43 H new ATOM 0 HG2 PRO A 15 3.503 0.523 -12.805 1.00 30.31 H new ATOM 0 HG3 PRO A 15 3.698 0.485 -11.064 1.00 30.31 H new ATOM 0 HD2 PRO A 15 5.656 -0.398 -12.739 1.00 12.15 H new ATOM 0 HD3 PRO A 15 5.416 -1.110 -11.156 1.00 12.15 H new ATOM 228 N LEU A 16 1.124 -2.407 -14.244 1.00 14.10 N ATOM 229 CA LEU A 16 0.430 -2.315 -15.524 1.00 44.42 C ATOM 230 C LEU A 16 -0.622 -1.211 -15.495 1.00 50.13 C ATOM 231 O LEU A 16 -1.270 -0.931 -16.504 1.00 34.15 O ATOM 232 CB LEU A 16 -0.227 -3.652 -15.869 1.00 25.55 C ATOM 233 CG LEU A 16 0.725 -4.795 -16.227 1.00 53.44 C ATOM 234 CD1 LEU A 16 0.075 -6.140 -15.943 1.00 11.21 C ATOM 235 CD2 LEU A 16 1.144 -4.701 -17.687 1.00 40.22 C ATOM 0 H LEU A 16 0.525 -2.657 -13.457 1.00 14.10 H new ATOM 0 HA LEU A 16 1.166 -2.071 -16.290 1.00 44.42 H new ATOM 0 HB2 LEU A 16 -0.835 -3.965 -15.020 1.00 25.55 H new ATOM 0 HB3 LEU A 16 -0.906 -3.495 -16.707 1.00 25.55 H new ATOM 0 HG LEU A 16 1.617 -4.708 -15.607 1.00 53.44 H new ATOM 0 HD11 LEU A 16 0.767 -6.941 -16.204 1.00 11.21 H new ATOM 0 HD12 LEU A 16 -0.175 -6.207 -14.884 1.00 11.21 H new ATOM 0 HD13 LEU A 16 -0.834 -6.238 -16.537 1.00 11.21 H new ATOM 0 HD21 LEU A 16 1.821 -5.521 -17.925 1.00 40.22 H new ATOM 0 HD22 LEU A 16 0.261 -4.763 -18.324 1.00 40.22 H new ATOM 0 HD23 LEU A 16 1.650 -3.751 -17.860 1.00 40.22 H new ATOM 247 N SER A 17 -0.785 -0.586 -14.334 1.00 3.34 N ATOM 248 CA SER A 17 -1.759 0.487 -14.173 1.00 35.23 C ATOM 249 C SER A 17 -1.730 1.038 -12.751 1.00 15.45 C ATOM 250 O SER A 17 -1.240 0.399 -11.819 1.00 50.44 O ATOM 251 CB SER A 17 -3.164 -0.018 -14.508 1.00 14.34 C ATOM 252 OG SER A 17 -3.273 -1.412 -14.281 1.00 62.43 O ATOM 0 H SER A 17 -0.255 -0.804 -13.490 1.00 3.34 H new ATOM 0 HA SER A 17 -1.495 1.291 -14.861 1.00 35.23 H new ATOM 0 HB2 SER A 17 -3.898 0.511 -13.900 1.00 14.34 H new ATOM 0 HB3 SER A 17 -3.394 0.203 -15.550 1.00 14.34 H new ATOM 0 HG SER A 17 -4.181 -1.709 -14.501 1.00 62.43 H new ATOM 258 N PRO A 18 -2.269 2.255 -12.577 1.00 64.35 N ATOM 259 CA PRO A 18 -2.318 2.920 -11.272 1.00 43.23 C ATOM 260 C PRO A 18 -3.293 2.245 -10.314 1.00 25.04 C ATOM 261 O PRO A 18 -4.245 1.590 -10.739 1.00 41.15 O ATOM 262 CB PRO A 18 -2.795 4.334 -11.613 1.00 15.13 C ATOM 263 CG PRO A 18 -3.552 4.182 -12.887 1.00 64.23 C ATOM 264 CD PRO A 18 -2.871 3.074 -13.643 1.00 30.24 C ATOM 0 HA PRO A 18 -1.355 2.891 -10.763 1.00 43.23 H new ATOM 0 HB2 PRO A 18 -3.427 4.740 -10.823 1.00 15.13 H new ATOM 0 HB3 PRO A 18 -1.954 5.018 -11.731 1.00 15.13 H new ATOM 0 HG2 PRO A 18 -4.597 3.938 -12.694 1.00 64.23 H new ATOM 0 HG3 PRO A 18 -3.542 5.109 -13.460 1.00 64.23 H new ATOM 0 HD2 PRO A 18 -3.580 2.500 -14.240 1.00 30.24 H new ATOM 0 HD3 PRO A 18 -2.116 3.460 -14.328 1.00 30.24 H new ATOM 272 N LEU A 19 -3.049 2.408 -9.018 1.00 15.41 N ATOM 273 CA LEU A 19 -3.907 1.815 -7.998 1.00 22.42 C ATOM 274 C LEU A 19 -5.216 2.587 -7.870 1.00 71.51 C ATOM 275 O LEU A 19 -5.354 3.688 -8.403 1.00 25.23 O ATOM 276 CB LEU A 19 -3.184 1.787 -6.650 1.00 35.43 C ATOM 277 CG LEU A 19 -1.801 1.135 -6.643 1.00 33.23 C ATOM 278 CD1 LEU A 19 -1.252 1.063 -5.226 1.00 74.43 C ATOM 279 CD2 LEU A 19 -1.862 -0.253 -7.264 1.00 54.24 C ATOM 0 H LEU A 19 -2.265 2.946 -8.649 1.00 15.41 H new ATOM 0 HA LEU A 19 -4.138 0.794 -8.301 1.00 22.42 H new ATOM 0 HB2 LEU A 19 -3.082 2.812 -6.294 1.00 35.43 H new ATOM 0 HB3 LEU A 19 -3.815 1.262 -5.933 1.00 35.43 H new ATOM 0 HG LEU A 19 -1.128 1.749 -7.241 1.00 33.23 H new ATOM 0 HD11 LEU A 19 -0.267 0.596 -5.241 1.00 74.43 H new ATOM 0 HD12 LEU A 19 -1.170 2.070 -4.816 1.00 74.43 H new ATOM 0 HD13 LEU A 19 -1.925 0.472 -4.605 1.00 74.43 H new ATOM 0 HD21 LEU A 19 -0.869 -0.702 -7.250 1.00 54.24 H new ATOM 0 HD22 LEU A 19 -2.550 -0.877 -6.693 1.00 54.24 H new ATOM 0 HD23 LEU A 19 -2.211 -0.176 -8.294 1.00 54.24 H new ATOM 291 N SER A 20 -6.175 2.002 -7.159 1.00 2.02 N ATOM 292 CA SER A 20 -7.474 2.634 -6.962 1.00 51.12 C ATOM 293 C SER A 20 -8.073 2.237 -5.616 1.00 50.52 C ATOM 294 O SER A 20 -7.674 1.239 -5.016 1.00 21.32 O ATOM 295 CB SER A 20 -8.430 2.247 -8.092 1.00 63.34 C ATOM 296 OG SER A 20 -8.518 0.839 -8.225 1.00 73.42 O ATOM 0 H SER A 20 -6.077 1.091 -6.710 1.00 2.02 H new ATOM 0 HA SER A 20 -7.330 3.714 -6.972 1.00 51.12 H new ATOM 0 HB2 SER A 20 -9.419 2.659 -7.893 1.00 63.34 H new ATOM 0 HB3 SER A 20 -8.086 2.683 -9.030 1.00 63.34 H new ATOM 0 HG SER A 20 -9.136 0.617 -8.952 1.00 73.42 H new ATOM 302 N LEU A 21 -9.033 3.027 -5.148 1.00 33.24 N ATOM 303 CA LEU A 21 -9.689 2.760 -3.872 1.00 70.42 C ATOM 304 C LEU A 21 -10.438 1.431 -3.913 1.00 11.53 C ATOM 305 O LEU A 21 -10.893 0.995 -4.971 1.00 11.33 O ATOM 306 CB LEU A 21 -10.656 3.893 -3.526 1.00 40.20 C ATOM 307 CG LEU A 21 -11.623 3.622 -2.373 1.00 73.24 C ATOM 308 CD1 LEU A 21 -10.874 3.555 -1.052 1.00 23.11 C ATOM 309 CD2 LEU A 21 -12.705 4.691 -2.322 1.00 2.24 C ATOM 0 H LEU A 21 -9.375 3.857 -5.632 1.00 33.24 H new ATOM 0 HA LEU A 21 -8.920 2.700 -3.102 1.00 70.42 H new ATOM 0 HB2 LEU A 21 -10.072 4.781 -3.283 1.00 40.20 H new ATOM 0 HB3 LEU A 21 -11.240 4.130 -4.415 1.00 40.20 H new ATOM 0 HG LEU A 21 -12.101 2.658 -2.544 1.00 73.24 H new ATOM 0 HD11 LEU A 21 -11.579 3.361 -0.243 1.00 23.11 H new ATOM 0 HD12 LEU A 21 -10.138 2.752 -1.091 1.00 23.11 H new ATOM 0 HD13 LEU A 21 -10.367 4.503 -0.872 1.00 23.11 H new ATOM 0 HD21 LEU A 21 -13.384 4.482 -1.495 1.00 2.24 H new ATOM 0 HD22 LEU A 21 -12.245 5.668 -2.175 1.00 2.24 H new ATOM 0 HD23 LEU A 21 -13.262 4.690 -3.259 1.00 2.24 H new ATOM 321 N HIS A 22 -10.564 0.794 -2.753 1.00 75.54 N ATOM 322 CA HIS A 22 -11.261 -0.484 -2.656 1.00 33.12 C ATOM 323 C HIS A 22 -12.487 -0.367 -1.755 1.00 21.13 C ATOM 324 O HIS A 22 -12.429 0.244 -0.687 1.00 65.43 O ATOM 325 CB HIS A 22 -10.320 -1.563 -2.119 1.00 11.32 C ATOM 326 CG HIS A 22 -10.776 -2.958 -2.417 1.00 44.13 C ATOM 327 ND1 HIS A 22 -10.682 -3.991 -1.509 1.00 4.14 N ATOM 328 CD2 HIS A 22 -11.333 -3.488 -3.531 1.00 65.12 C ATOM 329 CE1 HIS A 22 -11.159 -5.096 -2.051 1.00 74.53 C ATOM 330 NE2 HIS A 22 -11.561 -4.818 -3.278 1.00 74.34 N ATOM 0 H HIS A 22 -10.193 1.141 -1.868 1.00 75.54 H new ATOM 0 HA HIS A 22 -11.592 -0.766 -3.656 1.00 33.12 H new ATOM 0 HB2 HIS A 22 -9.329 -1.414 -2.547 1.00 11.32 H new ATOM 0 HB3 HIS A 22 -10.223 -1.444 -1.040 1.00 11.32 H new ATOM 0 HD2 HIS A 22 -11.556 -2.963 -4.448 1.00 65.12 H new ATOM 0 HE1 HIS A 22 -11.212 -6.063 -1.573 1.00 74.53 H new ATOM 0 HE2 HIS A 22 -11.974 -5.483 -3.932 1.00 74.34 H new ATOM 338 N ASP A 23 -13.595 -0.955 -2.192 1.00 21.21 N ATOM 339 CA ASP A 23 -14.835 -0.917 -1.425 1.00 25.22 C ATOM 340 C ASP A 23 -14.657 -1.598 -0.071 1.00 42.40 C ATOM 341 O ASP A 23 -15.396 -1.323 0.875 1.00 63.25 O ATOM 342 CB ASP A 23 -15.963 -1.593 -2.205 1.00 71.20 C ATOM 343 CG ASP A 23 -16.732 -0.617 -3.074 1.00 24.01 C ATOM 344 OD1 ASP A 23 -17.635 0.063 -2.545 1.00 13.01 O ATOM 345 OD2 ASP A 23 -16.430 -0.534 -4.283 1.00 50.21 O ATOM 0 H ASP A 23 -13.660 -1.464 -3.074 1.00 21.21 H new ATOM 0 HA ASP A 23 -15.097 0.127 -1.255 1.00 25.22 H new ATOM 0 HB2 ASP A 23 -15.546 -2.382 -2.831 1.00 71.20 H new ATOM 0 HB3 ASP A 23 -16.649 -2.071 -1.505 1.00 71.20 H new ATOM 350 N SER A 24 -13.673 -2.487 0.014 1.00 62.10 N ATOM 351 CA SER A 24 -13.401 -3.211 1.251 1.00 50.45 C ATOM 352 C SER A 24 -12.493 -2.397 2.167 1.00 25.24 C ATOM 353 O SER A 24 -12.689 -2.363 3.382 1.00 42.32 O ATOM 354 CB SER A 24 -12.756 -4.563 0.943 1.00 25.35 C ATOM 355 OG SER A 24 -13.369 -5.179 -0.176 1.00 13.14 O ATOM 0 H SER A 24 -13.051 -2.724 -0.759 1.00 62.10 H new ATOM 0 HA SER A 24 -14.349 -3.377 1.763 1.00 50.45 H new ATOM 0 HB2 SER A 24 -11.692 -4.426 0.749 1.00 25.35 H new ATOM 0 HB3 SER A 24 -12.840 -5.215 1.812 1.00 25.35 H new ATOM 0 HG SER A 24 -13.050 -6.102 -0.256 1.00 13.14 H new ATOM 361 N MET A 25 -11.498 -1.744 1.576 1.00 24.02 N ATOM 362 CA MET A 25 -10.559 -0.930 2.339 1.00 3.50 C ATOM 363 C MET A 25 -11.227 0.349 2.836 1.00 62.41 C ATOM 364 O MET A 25 -12.427 0.548 2.646 1.00 2.43 O ATOM 365 CB MET A 25 -9.339 -0.582 1.483 1.00 54.11 C ATOM 366 CG MET A 25 -9.567 0.599 0.553 1.00 64.21 C ATOM 367 SD MET A 25 -8.038 1.203 -0.189 1.00 31.12 S ATOM 368 CE MET A 25 -7.555 -0.215 -1.170 1.00 63.15 C ATOM 0 H MET A 25 -11.321 -1.763 0.572 1.00 24.02 H new ATOM 0 HA MET A 25 -10.234 -1.509 3.203 1.00 3.50 H new ATOM 0 HB2 MET A 25 -8.497 -0.361 2.138 1.00 54.11 H new ATOM 0 HB3 MET A 25 -9.061 -1.453 0.890 1.00 54.11 H new ATOM 0 HG2 MET A 25 -10.259 0.306 -0.237 1.00 64.21 H new ATOM 0 HG3 MET A 25 -10.041 1.408 1.109 1.00 64.21 H new ATOM 0 HE1 MET A 25 -6.472 -0.219 -1.295 1.00 63.15 H new ATOM 0 HE2 MET A 25 -7.866 -1.130 -0.665 1.00 63.15 H new ATOM 0 HE3 MET A 25 -8.032 -0.160 -2.148 1.00 63.15 H new ATOM 378 N LYS A 26 -10.443 1.211 3.473 1.00 2.42 N ATOM 379 CA LYS A 26 -10.957 2.471 3.997 1.00 14.10 C ATOM 380 C LYS A 26 -10.159 3.652 3.455 1.00 1.42 C ATOM 381 O LYS A 26 -10.722 4.697 3.128 1.00 53.11 O ATOM 382 CB LYS A 26 -10.910 2.468 5.527 1.00 50.54 C ATOM 383 CG LYS A 26 -12.275 2.606 6.178 1.00 74.23 C ATOM 384 CD LYS A 26 -12.456 1.609 7.310 1.00 31.20 C ATOM 385 CE LYS A 26 -12.120 2.229 8.658 1.00 61.24 C ATOM 386 NZ LYS A 26 -10.672 2.103 8.980 1.00 5.30 N ATOM 0 H LYS A 26 -9.448 1.060 3.639 1.00 2.42 H new ATOM 0 HA LYS A 26 -11.992 2.576 3.672 1.00 14.10 H new ATOM 0 HB2 LYS A 26 -10.447 1.541 5.866 1.00 50.54 H new ATOM 0 HB3 LYS A 26 -10.272 3.285 5.864 1.00 50.54 H new ATOM 0 HG2 LYS A 26 -12.395 3.619 6.562 1.00 74.23 H new ATOM 0 HG3 LYS A 26 -13.053 2.454 5.430 1.00 74.23 H new ATOM 0 HD2 LYS A 26 -13.485 1.251 7.320 1.00 31.20 H new ATOM 0 HD3 LYS A 26 -11.818 0.742 7.138 1.00 31.20 H new ATOM 0 HE2 LYS A 26 -12.401 3.282 8.654 1.00 61.24 H new ATOM 0 HE3 LYS A 26 -12.709 1.745 9.437 1.00 61.24 H new ATOM 0 HZ1 LYS A 26 -10.483 2.537 9.906 1.00 5.30 H new ATOM 0 HZ2 LYS A 26 -10.409 1.097 9.009 1.00 5.30 H new ATOM 0 HZ3 LYS A 26 -10.111 2.586 8.250 1.00 5.30 H new ATOM 400 N TYR A 27 -8.845 3.479 3.362 1.00 52.40 N ATOM 401 CA TYR A 27 -7.969 4.532 2.860 1.00 34.23 C ATOM 402 C TYR A 27 -6.944 3.967 1.881 1.00 15.05 C ATOM 403 O TYR A 27 -6.526 2.814 1.998 1.00 55.21 O ATOM 404 CB TYR A 27 -7.254 5.226 4.021 1.00 74.41 C ATOM 405 CG TYR A 27 -6.851 6.651 3.718 1.00 23.11 C ATOM 406 CD1 TYR A 27 -7.777 7.569 3.239 1.00 12.10 C ATOM 407 CD2 TYR A 27 -5.543 7.079 3.910 1.00 11.31 C ATOM 408 CE1 TYR A 27 -7.413 8.872 2.960 1.00 1.23 C ATOM 409 CE2 TYR A 27 -5.170 8.381 3.635 1.00 33.25 C ATOM 410 CZ TYR A 27 -6.109 9.273 3.161 1.00 44.44 C ATOM 411 OH TYR A 27 -5.741 10.570 2.884 1.00 2.35 O ATOM 0 H TYR A 27 -8.363 2.620 3.627 1.00 52.40 H new ATOM 0 HA TYR A 27 -8.584 5.261 2.333 1.00 34.23 H new ATOM 0 HB2 TYR A 27 -7.906 5.220 4.894 1.00 74.41 H new ATOM 0 HB3 TYR A 27 -6.364 4.653 4.283 1.00 74.41 H new ATOM 0 HD1 TYR A 27 -8.799 7.259 3.082 1.00 12.10 H new ATOM 0 HD2 TYR A 27 -4.805 6.382 4.280 1.00 11.31 H new ATOM 0 HE1 TYR A 27 -8.145 9.573 2.587 1.00 1.23 H new ATOM 0 HE2 TYR A 27 -4.149 8.698 3.790 1.00 33.25 H new ATOM 0 HH TYR A 27 -5.554 11.043 3.722 1.00 2.35 H new ATOM 421 N LEU A 28 -6.543 4.787 0.917 1.00 40.51 N ATOM 422 CA LEU A 28 -5.566 4.372 -0.084 1.00 21.05 C ATOM 423 C LEU A 28 -4.407 5.361 -0.156 1.00 61.14 C ATOM 424 O LEU A 28 -4.612 6.563 -0.329 1.00 31.55 O ATOM 425 CB LEU A 28 -6.232 4.248 -1.455 1.00 32.32 C ATOM 426 CG LEU A 28 -5.289 4.199 -2.657 1.00 60.14 C ATOM 427 CD1 LEU A 28 -4.189 3.173 -2.432 1.00 74.31 C ATOM 428 CD2 LEU A 28 -6.063 3.884 -3.929 1.00 65.15 C ATOM 0 H LEU A 28 -6.879 5.744 0.807 1.00 40.51 H new ATOM 0 HA LEU A 28 -5.172 3.399 0.210 1.00 21.05 H new ATOM 0 HB2 LEU A 28 -6.842 3.345 -1.460 1.00 32.32 H new ATOM 0 HB3 LEU A 28 -6.910 5.091 -1.585 1.00 32.32 H new ATOM 0 HG LEU A 28 -4.825 5.179 -2.771 1.00 60.14 H new ATOM 0 HD11 LEU A 28 -3.528 3.153 -3.298 1.00 74.31 H new ATOM 0 HD12 LEU A 28 -3.616 3.442 -1.545 1.00 74.31 H new ATOM 0 HD13 LEU A 28 -4.634 2.188 -2.292 1.00 74.31 H new ATOM 0 HD21 LEU A 28 -5.376 3.853 -4.775 1.00 65.15 H new ATOM 0 HD22 LEU A 28 -6.555 2.917 -3.825 1.00 65.15 H new ATOM 0 HD23 LEU A 28 -6.813 4.656 -4.099 1.00 65.15 H new ATOM 440 N VAL A 29 -3.188 4.847 -0.026 1.00 60.12 N ATOM 441 CA VAL A 29 -1.995 5.684 -0.081 1.00 35.04 C ATOM 442 C VAL A 29 -0.884 5.006 -0.874 1.00 52.44 C ATOM 443 O VAL A 29 -0.457 3.900 -0.544 1.00 73.43 O ATOM 444 CB VAL A 29 -1.476 6.013 1.331 1.00 24.24 C ATOM 445 CG1 VAL A 29 -0.155 6.763 1.253 1.00 1.31 C ATOM 446 CG2 VAL A 29 -2.510 6.816 2.106 1.00 44.23 C ATOM 0 H VAL A 29 -3.001 3.855 0.118 1.00 60.12 H new ATOM 0 HA VAL A 29 -2.280 6.610 -0.580 1.00 35.04 H new ATOM 0 HB VAL A 29 -1.304 5.077 1.863 1.00 24.24 H new ATOM 0 HG11 VAL A 29 0.196 6.987 2.260 1.00 1.31 H new ATOM 0 HG12 VAL A 29 0.583 6.147 0.740 1.00 1.31 H new ATOM 0 HG13 VAL A 29 -0.297 7.693 0.703 1.00 1.31 H new ATOM 0 HG21 VAL A 29 -2.126 7.039 3.101 1.00 44.23 H new ATOM 0 HG22 VAL A 29 -2.717 7.748 1.579 1.00 44.23 H new ATOM 0 HG23 VAL A 29 -3.429 6.237 2.193 1.00 44.23 H new ATOM 456 N TYR A 30 -0.419 5.678 -1.922 1.00 32.20 N ATOM 457 CA TYR A 30 0.642 5.140 -2.765 1.00 31.21 C ATOM 458 C TYR A 30 1.440 6.263 -3.420 1.00 11.34 C ATOM 459 O TYR A 30 0.993 7.409 -3.469 1.00 30.23 O ATOM 460 CB TYR A 30 0.054 4.224 -3.839 1.00 75.14 C ATOM 461 CG TYR A 30 -0.538 4.970 -5.014 1.00 3.31 C ATOM 462 CD1 TYR A 30 -1.800 5.545 -4.933 1.00 72.43 C ATOM 463 CD2 TYR A 30 0.167 5.102 -6.204 1.00 41.12 C ATOM 464 CE1 TYR A 30 -2.344 6.227 -6.004 1.00 74.32 C ATOM 465 CE2 TYR A 30 -0.369 5.784 -7.280 1.00 24.22 C ATOM 466 CZ TYR A 30 -1.625 6.344 -7.175 1.00 62.21 C ATOM 467 OH TYR A 30 -2.163 7.024 -8.244 1.00 22.33 O ATOM 0 H TYR A 30 -0.760 6.596 -2.208 1.00 32.20 H new ATOM 0 HA TYR A 30 1.315 4.562 -2.132 1.00 31.21 H new ATOM 0 HB2 TYR A 30 0.834 3.554 -4.201 1.00 75.14 H new ATOM 0 HB3 TYR A 30 -0.718 3.600 -3.389 1.00 75.14 H new ATOM 0 HD1 TYR A 30 -2.365 5.457 -4.017 1.00 72.43 H new ATOM 0 HD2 TYR A 30 1.151 4.664 -6.290 1.00 41.12 H new ATOM 0 HE1 TYR A 30 -3.327 6.666 -5.925 1.00 74.32 H new ATOM 0 HE2 TYR A 30 0.192 5.878 -8.198 1.00 24.22 H new ATOM 0 HH TYR A 30 -1.528 7.015 -8.990 1.00 22.33 H new ATOM 477 N GLN A 31 2.623 5.925 -3.922 1.00 21.13 N ATOM 478 CA GLN A 31 3.484 6.904 -4.574 1.00 2.54 C ATOM 479 C GLN A 31 4.362 6.240 -5.629 1.00 44.40 C ATOM 480 O GLN A 31 4.591 5.031 -5.591 1.00 71.11 O ATOM 481 CB GLN A 31 4.359 7.615 -3.539 1.00 34.10 C ATOM 482 CG GLN A 31 5.771 7.060 -3.452 1.00 61.21 C ATOM 483 CD GLN A 31 6.593 7.723 -2.364 1.00 73.41 C ATOM 484 OE1 GLN A 31 7.312 7.056 -1.620 1.00 64.52 O ATOM 485 NE2 GLN A 31 6.490 9.043 -2.265 1.00 72.24 N ATOM 0 H GLN A 31 3.007 4.981 -3.890 1.00 21.13 H new ATOM 0 HA GLN A 31 2.847 7.638 -5.067 1.00 2.54 H new ATOM 0 HB2 GLN A 31 4.409 8.676 -3.785 1.00 34.10 H new ATOM 0 HB3 GLN A 31 3.886 7.537 -2.560 1.00 34.10 H new ATOM 0 HG2 GLN A 31 5.725 5.987 -3.264 1.00 61.21 H new ATOM 0 HG3 GLN A 31 6.270 7.194 -4.412 1.00 61.21 H new ATOM 0 HE21 GLN A 31 5.882 9.556 -2.903 1.00 72.24 H new ATOM 0 HE22 GLN A 31 7.019 9.544 -1.551 1.00 72.24 H new ATOM 494 N THR A 32 4.853 7.039 -6.572 1.00 12.22 N ATOM 495 CA THR A 32 5.705 6.529 -7.639 1.00 14.13 C ATOM 496 C THR A 32 7.178 6.636 -7.264 1.00 64.22 C ATOM 497 O THR A 32 7.602 7.612 -6.647 1.00 14.33 O ATOM 498 CB THR A 32 5.466 7.286 -8.959 1.00 10.43 C ATOM 499 OG1 THR A 32 4.126 7.791 -8.999 1.00 24.22 O ATOM 500 CG2 THR A 32 5.707 6.378 -10.155 1.00 3.01 C ATOM 0 H THR A 32 4.675 8.042 -6.618 1.00 12.22 H new ATOM 0 HA THR A 32 5.444 5.480 -7.778 1.00 14.13 H new ATOM 0 HB THR A 32 6.169 8.118 -9.007 1.00 10.43 H new ATOM 0 HG1 THR A 32 3.983 8.272 -9.841 1.00 24.22 H new ATOM 0 HG21 THR A 32 5.532 6.935 -11.076 1.00 3.01 H new ATOM 0 HG22 THR A 32 6.736 6.019 -10.138 1.00 3.01 H new ATOM 0 HG23 THR A 32 5.026 5.528 -10.110 1.00 3.01 H new ATOM 508 N GLU A 33 7.955 5.625 -7.643 1.00 1.44 N ATOM 509 CA GLU A 33 9.383 5.607 -7.345 1.00 54.34 C ATOM 510 C GLU A 33 10.192 5.248 -8.588 1.00 24.32 C ATOM 511 O GLU A 33 9.763 4.436 -9.407 1.00 54.21 O ATOM 512 CB GLU A 33 9.680 4.610 -6.223 1.00 51.52 C ATOM 513 CG GLU A 33 9.297 5.116 -4.843 1.00 1.45 C ATOM 514 CD GLU A 33 9.670 4.144 -3.741 1.00 31.53 C ATOM 515 OE1 GLU A 33 10.043 2.996 -4.063 1.00 3.34 O ATOM 516 OE2 GLU A 33 9.588 4.530 -2.556 1.00 3.40 O ATOM 0 H GLU A 33 7.620 4.809 -8.156 1.00 1.44 H new ATOM 0 HA GLU A 33 9.674 6.606 -7.019 1.00 54.34 H new ATOM 0 HB2 GLU A 33 9.145 3.682 -6.422 1.00 51.52 H new ATOM 0 HB3 GLU A 33 10.744 4.372 -6.231 1.00 51.52 H new ATOM 0 HG2 GLU A 33 9.789 6.072 -4.661 1.00 1.45 H new ATOM 0 HG3 GLU A 33 8.223 5.299 -4.812 1.00 1.45 H new ATOM 523 N GLN A 34 11.366 5.858 -8.719 1.00 54.33 N ATOM 524 CA GLN A 34 12.235 5.603 -9.862 1.00 11.51 C ATOM 525 C GLN A 34 13.279 4.544 -9.526 1.00 3.13 C ATOM 526 O GLN A 34 13.865 4.556 -8.444 1.00 15.43 O ATOM 527 CB GLN A 34 12.925 6.895 -10.303 1.00 2.55 C ATOM 528 CG GLN A 34 12.670 7.256 -11.757 1.00 14.30 C ATOM 529 CD GLN A 34 13.932 7.229 -12.596 1.00 22.44 C ATOM 530 OE1 GLN A 34 14.144 6.311 -13.389 1.00 3.00 O ATOM 531 NE2 GLN A 34 14.779 8.237 -12.425 1.00 21.14 N ATOM 0 H GLN A 34 11.737 6.531 -8.049 1.00 54.33 H new ATOM 0 HA GLN A 34 11.618 5.232 -10.680 1.00 11.51 H new ATOM 0 HB2 GLN A 34 12.584 7.714 -9.669 1.00 2.55 H new ATOM 0 HB3 GLN A 34 13.999 6.796 -10.145 1.00 2.55 H new ATOM 0 HG2 GLN A 34 11.944 6.561 -12.178 1.00 14.30 H new ATOM 0 HG3 GLN A 34 12.226 8.250 -11.808 1.00 14.30 H new ATOM 0 HE21 GLN A 34 14.563 8.977 -11.757 1.00 21.14 H new ATOM 0 HE22 GLN A 34 15.646 8.272 -12.962 1.00 21.14 H new ATOM 540 N GLY A 35 13.508 3.627 -10.461 1.00 51.44 N ATOM 541 CA GLY A 35 14.481 2.573 -10.245 1.00 4.13 C ATOM 542 C GLY A 35 14.374 1.464 -11.273 1.00 14.34 C ATOM 543 O GLY A 35 13.664 1.600 -12.269 1.00 1.33 O ATOM 0 H GLY A 35 13.036 3.596 -11.365 1.00 51.44 H new ATOM 0 HA2 GLY A 35 15.484 2.997 -10.276 1.00 4.13 H new ATOM 0 HA3 GLY A 35 14.343 2.154 -9.248 1.00 4.13 H new ATOM 547 N GLU A 36 15.081 0.365 -11.031 1.00 72.23 N ATOM 548 CA GLU A 36 15.063 -0.771 -11.946 1.00 54.52 C ATOM 549 C GLU A 36 15.138 -0.302 -13.396 1.00 42.15 C ATOM 550 O GLU A 36 15.608 0.800 -13.680 1.00 75.22 O ATOM 551 CB GLU A 36 13.798 -1.605 -11.734 1.00 13.13 C ATOM 552 CG GLU A 36 12.525 -0.906 -12.183 1.00 22.43 C ATOM 553 CD GLU A 36 11.328 -1.836 -12.210 1.00 72.41 C ATOM 554 OE1 GLU A 36 11.315 -2.761 -13.050 1.00 13.12 O ATOM 555 OE2 GLU A 36 10.404 -1.640 -11.393 1.00 4.10 O ATOM 0 H GLU A 36 15.673 0.237 -10.210 1.00 72.23 H new ATOM 0 HA GLU A 36 15.936 -1.388 -11.735 1.00 54.52 H new ATOM 0 HB2 GLU A 36 13.897 -2.545 -12.277 1.00 13.13 H new ATOM 0 HB3 GLU A 36 13.711 -1.856 -10.677 1.00 13.13 H new ATOM 0 HG2 GLU A 36 12.317 -0.072 -11.513 1.00 22.43 H new ATOM 0 HG3 GLU A 36 12.677 -0.486 -13.177 1.00 22.43 H new ATOM 562 N ALA A 37 14.673 -1.147 -14.310 1.00 61.34 N ATOM 563 CA ALA A 37 14.686 -0.820 -15.731 1.00 21.03 C ATOM 564 C ALA A 37 13.924 0.472 -16.003 1.00 52.23 C ATOM 565 O ALA A 37 13.530 1.180 -15.077 1.00 24.42 O ATOM 566 CB ALA A 37 14.096 -1.964 -16.541 1.00 70.44 C ATOM 0 H ALA A 37 14.282 -2.064 -14.092 1.00 61.34 H new ATOM 0 HA ALA A 37 15.722 -0.671 -16.035 1.00 21.03 H new ATOM 0 HB1 ALA A 37 14.112 -1.706 -17.600 1.00 70.44 H new ATOM 0 HB2 ALA A 37 14.685 -2.867 -16.378 1.00 70.44 H new ATOM 0 HB3 ALA A 37 13.067 -2.140 -16.226 1.00 70.44 H new ATOM 572 N GLY A 38 13.719 0.775 -17.282 1.00 31.22 N ATOM 573 CA GLY A 38 13.005 1.983 -17.653 1.00 61.50 C ATOM 574 C GLY A 38 11.673 2.111 -16.940 1.00 45.23 C ATOM 575 O GLY A 38 11.146 3.213 -16.790 1.00 63.52 O ATOM 0 H GLY A 38 14.035 0.206 -18.067 1.00 31.22 H new ATOM 0 HA2 GLY A 38 13.622 2.851 -17.422 1.00 61.50 H new ATOM 0 HA3 GLY A 38 12.839 1.987 -18.730 1.00 61.50 H new ATOM 579 N ASN A 39 11.127 0.982 -16.501 1.00 65.22 N ATOM 580 CA ASN A 39 9.847 0.973 -15.802 1.00 64.14 C ATOM 581 C ASN A 39 10.006 1.475 -14.371 1.00 11.25 C ATOM 582 O ASN A 39 11.116 1.528 -13.840 1.00 31.01 O ATOM 583 CB ASN A 39 9.255 -0.438 -15.797 1.00 44.02 C ATOM 584 CG ASN A 39 9.551 -1.194 -17.078 1.00 51.44 C ATOM 585 OD1 ASN A 39 9.067 -0.832 -18.151 1.00 61.02 O ATOM 586 ND2 ASN A 39 10.349 -2.250 -16.972 1.00 11.35 N ATOM 0 H ASN A 39 11.551 0.061 -16.617 1.00 65.22 H new ATOM 0 HA ASN A 39 9.168 1.643 -16.330 1.00 64.14 H new ATOM 0 HB2 ASN A 39 9.656 -0.994 -14.949 1.00 44.02 H new ATOM 0 HB3 ASN A 39 8.176 -0.376 -15.656 1.00 44.02 H new ATOM 0 HD21 ASN A 39 10.583 -2.797 -17.800 1.00 11.35 H new ATOM 0 HD22 ASN A 39 10.728 -2.514 -16.062 1.00 11.35 H new ATOM 593 N ILE A 40 8.889 1.842 -13.751 1.00 42.11 N ATOM 594 CA ILE A 40 8.904 2.338 -12.381 1.00 0.34 C ATOM 595 C ILE A 40 8.194 1.372 -11.438 1.00 52.25 C ATOM 596 O ILE A 40 7.522 0.439 -11.879 1.00 65.34 O ATOM 597 CB ILE A 40 8.238 3.723 -12.276 1.00 33.10 C ATOM 598 CG1 ILE A 40 6.946 3.755 -13.095 1.00 70.43 C ATOM 599 CG2 ILE A 40 9.195 4.808 -12.744 1.00 44.34 C ATOM 600 CD1 ILE A 40 6.223 5.082 -13.033 1.00 3.01 C ATOM 0 H ILE A 40 7.963 1.805 -14.176 1.00 42.11 H new ATOM 0 HA ILE A 40 9.950 2.424 -12.089 1.00 0.34 H new ATOM 0 HB ILE A 40 7.989 3.912 -11.232 1.00 33.10 H new ATOM 0 HG12 ILE A 40 7.179 3.526 -14.135 1.00 70.43 H new ATOM 0 HG13 ILE A 40 6.279 2.970 -12.737 1.00 70.43 H new ATOM 0 HG21 ILE A 40 8.710 5.781 -12.664 1.00 44.34 H new ATOM 0 HG22 ILE A 40 10.090 4.797 -12.122 1.00 44.34 H new ATOM 0 HG23 ILE A 40 9.472 4.626 -13.782 1.00 44.34 H new ATOM 0 HD11 ILE A 40 5.317 5.031 -13.637 1.00 3.01 H new ATOM 0 HD12 ILE A 40 5.958 5.304 -11.999 1.00 3.01 H new ATOM 0 HD13 ILE A 40 6.872 5.868 -13.418 1.00 3.01 H new ATOM 612 N HIS A 41 8.345 1.604 -10.138 1.00 71.32 N ATOM 613 CA HIS A 41 7.716 0.755 -9.132 1.00 53.05 C ATOM 614 C HIS A 41 6.854 1.584 -8.184 1.00 63.33 C ATOM 615 O HIS A 41 7.229 2.690 -7.796 1.00 12.31 O ATOM 616 CB HIS A 41 8.779 -0.007 -8.340 1.00 54.13 C ATOM 617 CG HIS A 41 10.156 0.562 -8.485 1.00 44.35 C ATOM 618 ND1 HIS A 41 11.216 -0.154 -9.000 1.00 61.14 N ATOM 619 CD2 HIS A 41 10.645 1.787 -8.181 1.00 53.42 C ATOM 620 CE1 HIS A 41 12.297 0.605 -9.005 1.00 2.30 C ATOM 621 NE2 HIS A 41 11.977 1.789 -8.513 1.00 62.42 N ATOM 0 H HIS A 41 8.897 2.372 -9.756 1.00 71.32 H new ATOM 0 HA HIS A 41 7.075 0.039 -9.646 1.00 53.05 H new ATOM 0 HB2 HIS A 41 8.504 -0.007 -7.285 1.00 54.13 H new ATOM 0 HB3 HIS A 41 8.788 -1.047 -8.667 1.00 54.13 H new ATOM 0 HD1 HIS A 41 11.172 -1.119 -9.326 1.00 61.14 H new ATOM 0 HD2 HIS A 41 10.090 2.610 -7.756 1.00 53.42 H new ATOM 0 HE1 HIS A 41 13.276 0.308 -9.352 1.00 2.30 H new ATOM 629 N PHE A 42 5.698 1.041 -7.816 1.00 44.20 N ATOM 630 CA PHE A 42 4.783 1.731 -6.915 1.00 12.12 C ATOM 631 C PHE A 42 5.015 1.300 -5.469 1.00 53.34 C ATOM 632 O PHE A 42 5.348 0.146 -5.201 1.00 51.44 O ATOM 633 CB PHE A 42 3.333 1.453 -7.315 1.00 74.44 C ATOM 634 CG PHE A 42 2.837 2.336 -8.425 1.00 30.34 C ATOM 635 CD1 PHE A 42 3.617 2.565 -9.547 1.00 33.42 C ATOM 636 CD2 PHE A 42 1.591 2.938 -8.345 1.00 25.43 C ATOM 637 CE1 PHE A 42 3.163 3.376 -10.570 1.00 4.55 C ATOM 638 CE2 PHE A 42 1.133 3.750 -9.364 1.00 52.03 C ATOM 639 CZ PHE A 42 1.920 3.971 -10.477 1.00 62.25 C ATOM 0 H PHE A 42 5.373 0.126 -8.128 1.00 44.20 H new ATOM 0 HA PHE A 42 4.975 2.801 -6.992 1.00 12.12 H new ATOM 0 HB2 PHE A 42 3.243 0.411 -7.622 1.00 74.44 H new ATOM 0 HB3 PHE A 42 2.692 1.585 -6.443 1.00 74.44 H new ATOM 0 HD1 PHE A 42 4.591 2.105 -9.623 1.00 33.42 H new ATOM 0 HD2 PHE A 42 0.972 2.770 -7.476 1.00 25.43 H new ATOM 0 HE1 PHE A 42 3.779 3.544 -11.441 1.00 4.55 H new ATOM 0 HE2 PHE A 42 0.160 4.212 -9.290 1.00 52.03 H new ATOM 0 HZ PHE A 42 1.564 4.608 -11.273 1.00 62.25 H new ATOM 649 N GLN A 43 4.836 2.237 -4.543 1.00 63.23 N ATOM 650 CA GLN A 43 5.027 1.954 -3.126 1.00 1.55 C ATOM 651 C GLN A 43 4.010 2.711 -2.278 1.00 54.11 C ATOM 652 O GLN A 43 3.399 3.676 -2.737 1.00 61.50 O ATOM 653 CB GLN A 43 6.446 2.330 -2.696 1.00 24.33 C ATOM 654 CG GLN A 43 7.456 1.209 -2.885 1.00 51.15 C ATOM 655 CD GLN A 43 7.816 0.521 -1.584 1.00 35.15 C ATOM 656 OE1 GLN A 43 6.901 -0.296 -1.073 1.00 11.43 O flip ATOM 657 NE2 GLN A 43 8.903 0.721 -1.042 1.00 65.24 N flip ATOM 0 H GLN A 43 4.559 3.197 -4.749 1.00 63.23 H new ATOM 0 HA GLN A 43 4.879 0.885 -2.972 1.00 1.55 H new ATOM 0 HB2 GLN A 43 6.771 3.200 -3.266 1.00 24.33 H new ATOM 0 HB3 GLN A 43 6.433 2.623 -1.646 1.00 24.33 H new ATOM 0 HG2 GLN A 43 7.051 0.474 -3.580 1.00 51.15 H new ATOM 0 HG3 GLN A 43 8.360 1.613 -3.340 1.00 51.15 H new ATOM 0 HE21 GLN A 43 9.577 1.357 -1.469 1.00 65.24 H new ATOM 0 HE22 GLN A 43 9.130 0.251 -0.166 1.00 65.24 H new ATOM 666 N GLY A 44 3.832 2.266 -1.038 1.00 11.33 N ATOM 667 CA GLY A 44 2.887 2.913 -0.146 1.00 71.30 C ATOM 668 C GLY A 44 2.229 1.936 0.808 1.00 33.11 C ATOM 669 O GLY A 44 2.574 0.754 0.834 1.00 52.32 O ATOM 0 H GLY A 44 4.325 1.469 -0.635 1.00 11.33 H new ATOM 0 HA2 GLY A 44 3.402 3.684 0.427 1.00 71.30 H new ATOM 0 HA3 GLY A 44 2.119 3.413 -0.736 1.00 71.30 H new ATOM 673 N TYR A 45 1.280 2.429 1.596 1.00 53.42 N ATOM 674 CA TYR A 45 0.575 1.593 2.559 1.00 35.43 C ATOM 675 C TYR A 45 -0.931 1.629 2.314 1.00 42.12 C ATOM 676 O TYR A 45 -1.488 2.668 1.957 1.00 65.10 O ATOM 677 CB TYR A 45 0.881 2.052 3.986 1.00 61.22 C ATOM 678 CG TYR A 45 0.875 3.555 4.153 1.00 62.53 C ATOM 679 CD1 TYR A 45 -0.292 4.231 4.486 1.00 3.34 C ATOM 680 CD2 TYR A 45 2.036 4.298 3.976 1.00 74.33 C ATOM 681 CE1 TYR A 45 -0.302 5.604 4.639 1.00 13.32 C ATOM 682 CE2 TYR A 45 2.035 5.671 4.128 1.00 74.30 C ATOM 683 CZ TYR A 45 0.863 6.319 4.459 1.00 4.45 C ATOM 684 OH TYR A 45 0.858 7.687 4.611 1.00 41.13 O ATOM 0 H TYR A 45 0.981 3.404 1.586 1.00 53.42 H new ATOM 0 HA TYR A 45 0.921 0.567 2.432 1.00 35.43 H new ATOM 0 HB2 TYR A 45 0.147 1.617 4.664 1.00 61.22 H new ATOM 0 HB3 TYR A 45 1.857 1.666 4.282 1.00 61.22 H new ATOM 0 HD1 TYR A 45 -1.206 3.674 4.628 1.00 3.34 H new ATOM 0 HD2 TYR A 45 2.955 3.793 3.715 1.00 74.33 H new ATOM 0 HE1 TYR A 45 -1.218 6.115 4.898 1.00 13.32 H new ATOM 0 HE2 TYR A 45 2.946 6.234 3.989 1.00 74.30 H new ATOM 0 HH TYR A 45 1.759 8.037 4.451 1.00 41.13 H new ATOM 694 N ILE A 46 -1.583 0.488 2.508 1.00 31.02 N ATOM 695 CA ILE A 46 -3.024 0.389 2.310 1.00 23.10 C ATOM 696 C ILE A 46 -3.706 -0.219 3.531 1.00 70.02 C ATOM 697 O ILE A 46 -3.320 -1.288 4.001 1.00 23.41 O ATOM 698 CB ILE A 46 -3.364 -0.459 1.070 1.00 14.12 C ATOM 699 CG1 ILE A 46 -2.668 0.107 -0.169 1.00 3.22 C ATOM 700 CG2 ILE A 46 -4.870 -0.510 0.861 1.00 55.41 C ATOM 701 CD1 ILE A 46 -2.732 -0.810 -1.370 1.00 24.00 C ATOM 0 H ILE A 46 -1.137 -0.381 2.802 1.00 31.02 H new ATOM 0 HA ILE A 46 -3.393 1.403 2.159 1.00 23.10 H new ATOM 0 HB ILE A 46 -3.004 -1.475 1.233 1.00 14.12 H new ATOM 0 HG12 ILE A 46 -3.124 1.063 -0.427 1.00 3.22 H new ATOM 0 HG13 ILE A 46 -1.623 0.307 0.070 1.00 3.22 H new ATOM 0 HG21 ILE A 46 -5.095 -1.113 -0.019 1.00 55.41 H new ATOM 0 HG22 ILE A 46 -5.344 -0.954 1.736 1.00 55.41 H new ATOM 0 HG23 ILE A 46 -5.252 0.501 0.716 1.00 55.41 H new ATOM 0 HD11 ILE A 46 -2.218 -0.344 -2.211 1.00 24.00 H new ATOM 0 HD12 ILE A 46 -2.250 -1.758 -1.130 1.00 24.00 H new ATOM 0 HD13 ILE A 46 -3.774 -0.990 -1.635 1.00 24.00 H new ATOM 713 N GLU A 47 -4.724 0.470 4.038 1.00 63.14 N ATOM 714 CA GLU A 47 -5.461 -0.004 5.203 1.00 3.54 C ATOM 715 C GLU A 47 -6.800 -0.607 4.792 1.00 73.42 C ATOM 716 O GLU A 47 -7.649 0.073 4.217 1.00 14.34 O ATOM 717 CB GLU A 47 -5.687 1.143 6.191 1.00 35.22 C ATOM 718 CG GLU A 47 -4.407 1.842 6.616 1.00 13.14 C ATOM 719 CD GLU A 47 -4.624 3.306 6.945 1.00 0.51 C ATOM 720 OE1 GLU A 47 -5.653 3.628 7.575 1.00 72.13 O ATOM 721 OE2 GLU A 47 -3.763 4.131 6.572 1.00 12.12 O ATOM 0 H GLU A 47 -5.056 1.357 3.660 1.00 63.14 H new ATOM 0 HA GLU A 47 -4.867 -0.780 5.686 1.00 3.54 H new ATOM 0 HB2 GLU A 47 -6.357 1.874 5.739 1.00 35.22 H new ATOM 0 HB3 GLU A 47 -6.190 0.755 7.077 1.00 35.22 H new ATOM 0 HG2 GLU A 47 -3.993 1.335 7.487 1.00 13.14 H new ATOM 0 HG3 GLU A 47 -3.669 1.758 5.818 1.00 13.14 H new ATOM 728 N MET A 48 -6.981 -1.890 5.090 1.00 50.13 N ATOM 729 CA MET A 48 -8.217 -2.586 4.751 1.00 11.23 C ATOM 730 C MET A 48 -9.312 -2.273 5.766 1.00 33.10 C ATOM 731 O MET A 48 -9.097 -1.519 6.715 1.00 40.52 O ATOM 732 CB MET A 48 -7.977 -4.096 4.691 1.00 14.42 C ATOM 733 CG MET A 48 -7.091 -4.525 3.533 1.00 4.55 C ATOM 734 SD MET A 48 -8.010 -5.362 2.228 1.00 43.45 S ATOM 735 CE MET A 48 -8.605 -3.962 1.282 1.00 44.15 C ATOM 0 H MET A 48 -6.288 -2.468 5.565 1.00 50.13 H new ATOM 0 HA MET A 48 -8.544 -2.239 3.771 1.00 11.23 H new ATOM 0 HB2 MET A 48 -7.521 -4.421 5.626 1.00 14.42 H new ATOM 0 HB3 MET A 48 -8.937 -4.605 4.611 1.00 14.42 H new ATOM 0 HG2 MET A 48 -6.594 -3.649 3.117 1.00 4.55 H new ATOM 0 HG3 MET A 48 -6.310 -5.188 3.905 1.00 4.55 H new ATOM 0 HE1 MET A 48 -9.683 -3.868 1.410 1.00 44.15 H new ATOM 0 HE2 MET A 48 -8.118 -3.052 1.633 1.00 44.15 H new ATOM 0 HE3 MET A 48 -8.377 -4.112 0.227 1.00 44.15 H new ATOM 745 N LYS A 49 -10.488 -2.857 5.560 1.00 23.41 N ATOM 746 CA LYS A 49 -11.617 -2.642 6.457 1.00 71.41 C ATOM 747 C LYS A 49 -11.238 -2.970 7.898 1.00 42.24 C ATOM 748 O LYS A 49 -11.286 -2.107 8.775 1.00 73.31 O ATOM 749 CB LYS A 49 -12.809 -3.500 6.025 1.00 44.14 C ATOM 750 CG LYS A 49 -14.112 -2.726 5.929 1.00 70.13 C ATOM 751 CD LYS A 49 -15.095 -3.404 4.989 1.00 40.43 C ATOM 752 CE LYS A 49 -15.564 -4.741 5.542 1.00 45.24 C ATOM 753 NZ LYS A 49 -17.035 -4.761 5.771 1.00 22.41 N ATOM 0 H LYS A 49 -10.684 -3.483 4.779 1.00 23.41 H new ATOM 0 HA LYS A 49 -11.895 -1.590 6.403 1.00 71.41 H new ATOM 0 HB2 LYS A 49 -12.591 -3.949 5.056 1.00 44.14 H new ATOM 0 HB3 LYS A 49 -12.933 -4.318 6.735 1.00 44.14 H new ATOM 0 HG2 LYS A 49 -14.557 -2.637 6.920 1.00 70.13 H new ATOM 0 HG3 LYS A 49 -13.910 -1.714 5.578 1.00 70.13 H new ATOM 0 HD2 LYS A 49 -15.955 -2.753 4.829 1.00 40.43 H new ATOM 0 HD3 LYS A 49 -14.625 -3.556 4.017 1.00 40.43 H new ATOM 0 HE2 LYS A 49 -15.294 -5.536 4.847 1.00 45.24 H new ATOM 0 HE3 LYS A 49 -15.048 -4.948 6.479 1.00 45.24 H new ATOM 0 HZ1 LYS A 49 -17.315 -5.689 6.148 1.00 22.41 H new ATOM 0 HZ2 LYS A 49 -17.290 -4.019 6.453 1.00 22.41 H new ATOM 0 HZ3 LYS A 49 -17.529 -4.589 4.872 1.00 22.41 H new ATOM 767 N LYS A 50 -10.859 -4.221 8.135 1.00 3.01 N ATOM 768 CA LYS A 50 -10.468 -4.663 9.469 1.00 40.44 C ATOM 769 C LYS A 50 -10.051 -6.130 9.455 1.00 1.34 C ATOM 770 O LYS A 50 -8.865 -6.449 9.549 1.00 14.51 O ATOM 771 CB LYS A 50 -11.621 -4.458 10.454 1.00 3.02 C ATOM 772 CG LYS A 50 -11.343 -3.394 11.502 1.00 32.12 C ATOM 773 CD LYS A 50 -12.596 -3.046 12.289 1.00 62.40 C ATOM 774 CE LYS A 50 -12.626 -1.573 12.666 1.00 73.12 C ATOM 775 NZ LYS A 50 -14.017 -1.083 12.875 1.00 3.20 N ATOM 0 H LYS A 50 -10.814 -4.947 7.420 1.00 3.01 H new ATOM 0 HA LYS A 50 -9.615 -4.064 9.788 1.00 40.44 H new ATOM 0 HB2 LYS A 50 -12.518 -4.184 9.899 1.00 3.02 H new ATOM 0 HB3 LYS A 50 -11.833 -5.403 10.955 1.00 3.02 H new ATOM 0 HG2 LYS A 50 -10.570 -3.747 12.184 1.00 32.12 H new ATOM 0 HG3 LYS A 50 -10.955 -2.498 11.018 1.00 32.12 H new ATOM 0 HD2 LYS A 50 -13.478 -3.289 11.697 1.00 62.40 H new ATOM 0 HD3 LYS A 50 -12.641 -3.655 13.192 1.00 62.40 H new ATOM 0 HE2 LYS A 50 -12.046 -1.419 13.576 1.00 73.12 H new ATOM 0 HE3 LYS A 50 -12.149 -0.987 11.881 1.00 73.12 H new ATOM 0 HZ1 LYS A 50 -13.995 -0.075 13.130 1.00 3.20 H new ATOM 0 HZ2 LYS A 50 -14.564 -1.207 11.999 1.00 3.20 H new ATOM 0 HZ3 LYS A 50 -14.464 -1.625 13.642 1.00 3.20 H new ATOM 789 N ARG A 51 -11.032 -7.018 9.337 1.00 31.21 N ATOM 790 CA ARG A 51 -10.766 -8.451 9.311 1.00 31.43 C ATOM 791 C ARG A 51 -10.494 -8.928 7.888 1.00 73.34 C ATOM 792 O ARG A 51 -11.083 -9.906 7.425 1.00 53.10 O ATOM 793 CB ARG A 51 -11.949 -9.222 9.902 1.00 44.14 C ATOM 794 CG ARG A 51 -11.597 -10.633 10.343 1.00 24.11 C ATOM 795 CD ARG A 51 -12.793 -11.338 10.963 1.00 53.42 C ATOM 796 NE ARG A 51 -12.981 -10.968 12.363 1.00 14.31 N ATOM 797 CZ ARG A 51 -14.090 -11.225 13.049 1.00 63.14 C ATOM 798 NH1 ARG A 51 -15.103 -11.851 12.466 1.00 12.32 N ATOM 799 NH2 ARG A 51 -14.185 -10.857 14.320 1.00 55.11 N ATOM 0 H ARG A 51 -12.018 -6.771 9.258 1.00 31.21 H new ATOM 0 HA ARG A 51 -9.879 -8.641 9.915 1.00 31.43 H new ATOM 0 HB2 ARG A 51 -12.341 -8.670 10.757 1.00 44.14 H new ATOM 0 HB3 ARG A 51 -12.747 -9.270 9.161 1.00 44.14 H new ATOM 0 HG2 ARG A 51 -11.240 -11.205 9.486 1.00 24.11 H new ATOM 0 HG3 ARG A 51 -10.781 -10.597 11.064 1.00 24.11 H new ATOM 0 HD2 ARG A 51 -13.692 -11.091 10.399 1.00 53.42 H new ATOM 0 HD3 ARG A 51 -12.657 -12.417 10.888 1.00 53.42 H new ATOM 0 HE ARG A 51 -12.220 -10.486 12.841 1.00 14.31 H new ATOM 0 HH11 ARG A 51 -15.032 -12.136 11.489 1.00 12.32 H new ATOM 0 HH12 ARG A 51 -15.953 -12.047 12.994 1.00 12.32 H new ATOM 0 HH21 ARG A 51 -13.407 -10.376 14.771 1.00 55.11 H new ATOM 0 HH22 ARG A 51 -15.036 -11.055 14.846 1.00 55.11 H new ATOM 813 N THR A 52 -9.598 -8.231 7.196 1.00 11.12 N ATOM 814 CA THR A 52 -9.249 -8.581 5.825 1.00 33.22 C ATOM 815 C THR A 52 -7.807 -9.067 5.732 1.00 53.44 C ATOM 816 O THR A 52 -6.870 -8.311 5.989 1.00 31.22 O ATOM 817 CB THR A 52 -9.439 -7.385 4.874 1.00 50.31 C ATOM 818 OG1 THR A 52 -10.372 -6.455 5.436 1.00 3.12 O ATOM 819 CG2 THR A 52 -9.936 -7.849 3.513 1.00 43.30 C ATOM 0 H THR A 52 -9.100 -7.420 7.563 1.00 11.12 H new ATOM 0 HA THR A 52 -9.920 -9.385 5.523 1.00 33.22 H new ATOM 0 HB THR A 52 -8.473 -6.897 4.744 1.00 50.31 H new ATOM 0 HG1 THR A 52 -10.729 -5.881 4.727 1.00 3.12 H new ATOM 0 HG21 THR A 52 -10.063 -6.987 2.859 1.00 43.30 H new ATOM 0 HG22 THR A 52 -9.210 -8.534 3.075 1.00 43.30 H new ATOM 0 HG23 THR A 52 -10.892 -8.360 3.629 1.00 43.30 H new ATOM 827 N SER A 53 -7.636 -10.332 5.361 1.00 54.51 N ATOM 828 CA SER A 53 -6.307 -10.919 5.236 1.00 14.43 C ATOM 829 C SER A 53 -5.646 -10.493 3.929 1.00 2.11 C ATOM 830 O SER A 53 -6.230 -9.754 3.136 1.00 53.05 O ATOM 831 CB SER A 53 -6.392 -12.445 5.305 1.00 55.44 C ATOM 832 OG SER A 53 -7.584 -12.917 4.699 1.00 5.31 O ATOM 0 H SER A 53 -8.401 -10.970 5.142 1.00 54.51 H new ATOM 0 HA SER A 53 -5.698 -10.559 6.065 1.00 14.43 H new ATOM 0 HB2 SER A 53 -5.528 -12.884 4.806 1.00 55.44 H new ATOM 0 HB3 SER A 53 -6.357 -12.768 6.346 1.00 55.44 H new ATOM 0 HG SER A 53 -7.614 -13.895 4.754 1.00 5.31 H new ATOM 838 N LEU A 54 -4.423 -10.964 3.712 1.00 60.14 N ATOM 839 CA LEU A 54 -3.680 -10.633 2.501 1.00 63.23 C ATOM 840 C LEU A 54 -4.510 -10.925 1.255 1.00 13.11 C ATOM 841 O LEU A 54 -4.361 -10.263 0.229 1.00 54.34 O ATOM 842 CB LEU A 54 -2.370 -11.422 2.451 1.00 73.32 C ATOM 843 CG LEU A 54 -1.484 -11.176 1.229 1.00 12.22 C ATOM 844 CD1 LEU A 54 -1.101 -9.707 1.135 1.00 15.01 C ATOM 845 CD2 LEU A 54 -0.240 -12.050 1.288 1.00 72.35 C ATOM 0 H LEU A 54 -3.925 -11.576 4.358 1.00 60.14 H new ATOM 0 HA LEU A 54 -3.455 -9.567 2.523 1.00 63.23 H new ATOM 0 HB2 LEU A 54 -1.794 -11.187 3.346 1.00 73.32 H new ATOM 0 HB3 LEU A 54 -2.608 -12.485 2.494 1.00 73.32 H new ATOM 0 HG LEU A 54 -2.048 -11.441 0.335 1.00 12.22 H new ATOM 0 HD11 LEU A 54 -0.471 -9.551 0.260 1.00 15.01 H new ATOM 0 HD12 LEU A 54 -2.003 -9.101 1.046 1.00 15.01 H new ATOM 0 HD13 LEU A 54 -0.555 -9.415 2.032 1.00 15.01 H new ATOM 0 HD21 LEU A 54 0.379 -11.862 0.411 1.00 72.35 H new ATOM 0 HD22 LEU A 54 0.327 -11.816 2.189 1.00 72.35 H new ATOM 0 HD23 LEU A 54 -0.533 -13.100 1.307 1.00 72.35 H new ATOM 857 N ALA A 55 -5.387 -11.919 1.354 1.00 22.01 N ATOM 858 CA ALA A 55 -6.244 -12.295 0.237 1.00 32.51 C ATOM 859 C ALA A 55 -7.033 -11.096 -0.278 1.00 34.53 C ATOM 860 O ALA A 55 -7.318 -10.994 -1.470 1.00 42.32 O ATOM 861 CB ALA A 55 -7.189 -13.414 0.651 1.00 54.32 C ATOM 0 H ALA A 55 -5.522 -12.478 2.196 1.00 22.01 H new ATOM 0 HA ALA A 55 -5.608 -12.652 -0.573 1.00 32.51 H new ATOM 0 HB1 ALA A 55 -7.824 -13.685 -0.193 1.00 54.32 H new ATOM 0 HB2 ALA A 55 -6.609 -14.283 0.963 1.00 54.32 H new ATOM 0 HB3 ALA A 55 -7.812 -13.076 1.479 1.00 54.32 H new ATOM 867 N GLY A 56 -7.385 -10.191 0.630 1.00 32.14 N ATOM 868 CA GLY A 56 -8.139 -9.012 0.248 1.00 13.54 C ATOM 869 C GLY A 56 -7.308 -8.024 -0.546 1.00 2.12 C ATOM 870 O GLY A 56 -7.775 -7.466 -1.538 1.00 51.20 O ATOM 0 H GLY A 56 -7.161 -10.254 1.623 1.00 32.14 H new ATOM 0 HA2 GLY A 56 -9.003 -9.313 -0.344 1.00 13.54 H new ATOM 0 HA3 GLY A 56 -8.521 -8.523 1.144 1.00 13.54 H new ATOM 874 N MET A 57 -6.072 -7.806 -0.108 1.00 30.32 N ATOM 875 CA MET A 57 -5.174 -6.878 -0.785 1.00 61.33 C ATOM 876 C MET A 57 -4.698 -7.455 -2.115 1.00 23.34 C ATOM 877 O MET A 57 -4.744 -6.785 -3.146 1.00 70.14 O ATOM 878 CB MET A 57 -3.972 -6.557 0.105 1.00 65.43 C ATOM 879 CG MET A 57 -4.336 -5.791 1.365 1.00 11.55 C ATOM 880 SD MET A 57 -4.180 -4.006 1.162 1.00 13.33 S ATOM 881 CE MET A 57 -5.625 -3.651 0.165 1.00 33.02 C ATOM 0 H MET A 57 -5.670 -8.259 0.712 1.00 30.32 H new ATOM 0 HA MET A 57 -5.724 -5.959 -0.984 1.00 61.33 H new ATOM 0 HB2 MET A 57 -3.479 -7.488 0.385 1.00 65.43 H new ATOM 0 HB3 MET A 57 -3.251 -5.975 -0.469 1.00 65.43 H new ATOM 0 HG2 MET A 57 -5.360 -6.032 1.649 1.00 11.55 H new ATOM 0 HG3 MET A 57 -3.693 -6.117 2.182 1.00 11.55 H new ATOM 0 HE1 MET A 57 -5.312 -3.340 -0.832 1.00 33.02 H new ATOM 0 HE2 MET A 57 -6.243 -4.545 0.089 1.00 33.02 H new ATOM 0 HE3 MET A 57 -6.200 -2.851 0.630 1.00 33.02 H new ATOM 891 N LYS A 58 -4.240 -8.702 -2.083 1.00 63.12 N ATOM 892 CA LYS A 58 -3.756 -9.370 -3.285 1.00 64.52 C ATOM 893 C LYS A 58 -4.835 -9.402 -4.363 1.00 0.34 C ATOM 894 O LYS A 58 -4.536 -9.374 -5.557 1.00 12.34 O ATOM 895 CB LYS A 58 -3.308 -10.796 -2.956 1.00 24.24 C ATOM 896 CG LYS A 58 -4.458 -11.777 -2.811 1.00 72.24 C ATOM 897 CD LYS A 58 -3.961 -13.177 -2.493 1.00 23.23 C ATOM 898 CE LYS A 58 -3.163 -13.204 -1.198 1.00 44.22 C ATOM 899 NZ LYS A 58 -3.202 -14.544 -0.550 1.00 1.11 N ATOM 0 H LYS A 58 -4.194 -9.270 -1.237 1.00 63.12 H new ATOM 0 HA LYS A 58 -2.904 -8.806 -3.665 1.00 64.52 H new ATOM 0 HB2 LYS A 58 -2.638 -11.148 -3.741 1.00 24.24 H new ATOM 0 HB3 LYS A 58 -2.734 -10.783 -2.030 1.00 24.24 H new ATOM 0 HG2 LYS A 58 -5.128 -11.439 -2.020 1.00 72.24 H new ATOM 0 HG3 LYS A 58 -5.039 -11.797 -3.733 1.00 72.24 H new ATOM 0 HD2 LYS A 58 -4.810 -13.856 -2.413 1.00 23.23 H new ATOM 0 HD3 LYS A 58 -3.340 -13.539 -3.312 1.00 23.23 H new ATOM 0 HE2 LYS A 58 -2.128 -12.930 -1.403 1.00 44.22 H new ATOM 0 HE3 LYS A 58 -3.560 -12.457 -0.511 1.00 44.22 H new ATOM 0 HZ1 LYS A 58 -2.647 -14.521 0.329 1.00 1.11 H new ATOM 0 HZ2 LYS A 58 -4.187 -14.795 -0.331 1.00 1.11 H new ATOM 0 HZ3 LYS A 58 -2.799 -15.253 -1.195 1.00 1.11 H new ATOM 913 N LYS A 59 -6.091 -9.459 -3.933 1.00 52.45 N ATOM 914 CA LYS A 59 -7.216 -9.491 -4.861 1.00 12.34 C ATOM 915 C LYS A 59 -7.193 -8.279 -5.787 1.00 2.24 C ATOM 916 O LYS A 59 -7.604 -8.362 -6.945 1.00 14.54 O ATOM 917 CB LYS A 59 -8.538 -9.532 -4.090 1.00 3.51 C ATOM 918 CG LYS A 59 -9.197 -10.900 -4.085 1.00 40.11 C ATOM 919 CD LYS A 59 -10.048 -11.113 -5.326 1.00 20.12 C ATOM 920 CE LYS A 59 -11.527 -11.197 -4.980 1.00 3.23 C ATOM 921 NZ LYS A 59 -12.296 -11.947 -6.011 1.00 11.23 N ATOM 0 H LYS A 59 -6.356 -9.484 -2.948 1.00 52.45 H new ATOM 0 HA LYS A 59 -7.128 -10.392 -5.469 1.00 12.34 H new ATOM 0 HB2 LYS A 59 -8.359 -9.221 -3.061 1.00 3.51 H new ATOM 0 HB3 LYS A 59 -9.226 -8.808 -4.527 1.00 3.51 H new ATOM 0 HG2 LYS A 59 -8.431 -11.674 -4.031 1.00 40.11 H new ATOM 0 HG3 LYS A 59 -9.818 -11.003 -3.195 1.00 40.11 H new ATOM 0 HD2 LYS A 59 -9.883 -10.294 -6.026 1.00 20.12 H new ATOM 0 HD3 LYS A 59 -9.738 -12.029 -5.828 1.00 20.12 H new ATOM 0 HE2 LYS A 59 -11.646 -11.684 -4.012 1.00 3.23 H new ATOM 0 HE3 LYS A 59 -11.935 -10.191 -4.883 1.00 3.23 H new ATOM 0 HZ1 LYS A 59 -13.299 -11.982 -5.739 1.00 11.23 H new ATOM 0 HZ2 LYS A 59 -12.203 -11.468 -6.930 1.00 11.23 H new ATOM 0 HZ3 LYS A 59 -11.924 -12.915 -6.086 1.00 11.23 H new ATOM 935 N LEU A 60 -6.708 -7.155 -5.270 1.00 41.14 N ATOM 936 CA LEU A 60 -6.629 -5.926 -6.052 1.00 13.41 C ATOM 937 C LEU A 60 -5.388 -5.922 -6.938 1.00 23.11 C ATOM 938 O LEU A 60 -5.428 -5.457 -8.077 1.00 62.04 O ATOM 939 CB LEU A 60 -6.612 -4.709 -5.125 1.00 3.12 C ATOM 940 CG LEU A 60 -7.951 -4.325 -4.495 1.00 74.25 C ATOM 941 CD1 LEU A 60 -8.198 -5.133 -3.230 1.00 44.44 C ATOM 942 CD2 LEU A 60 -7.992 -2.834 -4.195 1.00 2.00 C ATOM 0 H LEU A 60 -6.364 -7.069 -4.314 1.00 41.14 H new ATOM 0 HA LEU A 60 -7.509 -5.875 -6.693 1.00 13.41 H new ATOM 0 HB2 LEU A 60 -5.897 -4.898 -4.324 1.00 3.12 H new ATOM 0 HB3 LEU A 60 -6.240 -3.853 -5.689 1.00 3.12 H new ATOM 0 HG LEU A 60 -8.744 -4.553 -5.207 1.00 74.25 H new ATOM 0 HD11 LEU A 60 -9.156 -4.846 -2.796 1.00 44.44 H new ATOM 0 HD12 LEU A 60 -8.214 -6.195 -3.474 1.00 44.44 H new ATOM 0 HD13 LEU A 60 -7.401 -4.938 -2.512 1.00 44.44 H new ATOM 0 HD21 LEU A 60 -8.952 -2.579 -3.747 1.00 2.00 H new ATOM 0 HD22 LEU A 60 -7.190 -2.580 -3.502 1.00 2.00 H new ATOM 0 HD23 LEU A 60 -7.863 -2.273 -5.121 1.00 2.00 H new ATOM 954 N ILE A 61 -4.287 -6.445 -6.408 1.00 34.13 N ATOM 955 CA ILE A 61 -3.035 -6.505 -7.152 1.00 14.02 C ATOM 956 C ILE A 61 -2.342 -7.849 -6.955 1.00 15.04 C ATOM 957 O ILE A 61 -1.370 -7.971 -6.209 1.00 52.22 O ATOM 958 CB ILE A 61 -2.075 -5.378 -6.729 1.00 2.11 C ATOM 959 CG1 ILE A 61 -2.741 -4.013 -6.917 1.00 24.20 C ATOM 960 CG2 ILE A 61 -0.782 -5.457 -7.527 1.00 2.13 C ATOM 961 CD1 ILE A 61 -3.282 -3.423 -5.634 1.00 20.03 C ATOM 0 H ILE A 61 -4.237 -6.833 -5.466 1.00 34.13 H new ATOM 0 HA ILE A 61 -3.287 -6.380 -8.205 1.00 14.02 H new ATOM 0 HB ILE A 61 -1.836 -5.502 -5.673 1.00 2.11 H new ATOM 0 HG12 ILE A 61 -2.018 -3.321 -7.349 1.00 24.20 H new ATOM 0 HG13 ILE A 61 -3.556 -4.111 -7.634 1.00 24.20 H new ATOM 0 HG21 ILE A 61 -0.113 -4.654 -7.217 1.00 2.13 H new ATOM 0 HG22 ILE A 61 -0.302 -6.419 -7.347 1.00 2.13 H new ATOM 0 HG23 ILE A 61 -1.003 -5.355 -8.589 1.00 2.13 H new ATOM 0 HD11 ILE A 61 -3.740 -2.456 -5.843 1.00 20.03 H new ATOM 0 HD12 ILE A 61 -4.029 -4.095 -5.211 1.00 20.03 H new ATOM 0 HD13 ILE A 61 -2.467 -3.293 -4.922 1.00 20.03 H new ATOM 973 N PRO A 62 -2.852 -8.883 -7.640 1.00 31.54 N ATOM 974 CA PRO A 62 -2.296 -10.237 -7.558 1.00 72.53 C ATOM 975 C PRO A 62 -0.929 -10.344 -8.224 1.00 44.32 C ATOM 976 O PRO A 62 -0.822 -10.341 -9.450 1.00 33.11 O ATOM 977 CB PRO A 62 -3.324 -11.088 -8.309 1.00 21.44 C ATOM 978 CG PRO A 62 -3.987 -10.141 -9.248 1.00 0.03 C ATOM 979 CD PRO A 62 -4.010 -8.811 -8.547 1.00 2.13 C ATOM 0 HA PRO A 62 -2.135 -10.549 -6.526 1.00 72.53 H new ATOM 0 HB2 PRO A 62 -2.844 -11.906 -8.846 1.00 21.44 H new ATOM 0 HB3 PRO A 62 -4.044 -11.535 -7.624 1.00 21.44 H new ATOM 0 HG2 PRO A 62 -3.440 -10.077 -10.189 1.00 0.03 H new ATOM 0 HG3 PRO A 62 -4.997 -10.473 -9.489 1.00 0.03 H new ATOM 0 HD2 PRO A 62 -3.918 -7.984 -9.251 1.00 2.13 H new ATOM 0 HD3 PRO A 62 -4.941 -8.661 -7.999 1.00 2.13 H new ATOM 987 N GLY A 63 0.117 -10.437 -7.408 1.00 33.52 N ATOM 988 CA GLY A 63 1.464 -10.544 -7.937 1.00 11.53 C ATOM 989 C GLY A 63 2.381 -9.457 -7.410 1.00 74.12 C ATOM 990 O GLY A 63 3.167 -8.882 -8.161 1.00 43.34 O ATOM 0 H GLY A 63 0.055 -10.440 -6.390 1.00 33.52 H new ATOM 0 HA2 GLY A 63 1.876 -11.520 -7.679 1.00 11.53 H new ATOM 0 HA3 GLY A 63 1.429 -10.490 -9.025 1.00 11.53 H new ATOM 994 N ALA A 64 2.278 -9.175 -6.116 1.00 2.43 N ATOM 995 CA ALA A 64 3.105 -8.150 -5.490 1.00 21.44 C ATOM 996 C ALA A 64 3.614 -8.612 -4.128 1.00 60.13 C ATOM 997 O ALA A 64 3.144 -9.612 -3.585 1.00 34.11 O ATOM 998 CB ALA A 64 2.323 -6.853 -5.350 1.00 52.24 C ATOM 0 H ALA A 64 1.631 -9.641 -5.481 1.00 2.43 H new ATOM 0 HA ALA A 64 3.968 -7.973 -6.131 1.00 21.44 H new ATOM 0 HB1 ALA A 64 2.953 -6.097 -4.881 1.00 52.24 H new ATOM 0 HB2 ALA A 64 2.013 -6.507 -6.336 1.00 52.24 H new ATOM 0 HB3 ALA A 64 1.441 -7.025 -4.732 1.00 52.24 H new ATOM 1004 N HIS A 65 4.578 -7.878 -3.582 1.00 64.20 N ATOM 1005 CA HIS A 65 5.151 -8.213 -2.283 1.00 64.12 C ATOM 1006 C HIS A 65 4.458 -7.437 -1.167 1.00 61.22 C ATOM 1007 O HIS A 65 4.598 -6.218 -1.065 1.00 23.30 O ATOM 1008 CB HIS A 65 6.651 -7.915 -2.272 1.00 20.43 C ATOM 1009 CG HIS A 65 7.402 -8.663 -1.213 1.00 51.01 C ATOM 1010 ND1 HIS A 65 8.353 -9.619 -1.499 1.00 24.44 N ATOM 1011 CD2 HIS A 65 7.338 -8.589 0.137 1.00 43.01 C ATOM 1012 CE1 HIS A 65 8.841 -10.103 -0.370 1.00 42.40 C ATOM 1013 NE2 HIS A 65 8.242 -9.494 0.637 1.00 2.54 N ATOM 0 H HIS A 65 4.979 -7.048 -4.018 1.00 64.20 H new ATOM 0 HA HIS A 65 4.998 -9.278 -2.110 1.00 64.12 H new ATOM 0 HB2 HIS A 65 7.070 -8.164 -3.247 1.00 20.43 H new ATOM 0 HB3 HIS A 65 6.800 -6.845 -2.125 1.00 20.43 H new ATOM 0 HD2 HIS A 65 6.696 -7.940 0.713 1.00 43.01 H new ATOM 0 HE1 HIS A 65 9.600 -10.866 -0.285 1.00 42.40 H new ATOM 0 HE2 HIS A 65 8.422 -9.668 1.626 1.00 2.54 H new ATOM 1021 N PHE A 66 3.709 -8.151 -0.333 1.00 65.43 N ATOM 1022 CA PHE A 66 2.993 -7.530 0.774 1.00 12.31 C ATOM 1023 C PHE A 66 3.591 -7.950 2.113 1.00 20.04 C ATOM 1024 O PHE A 66 4.260 -8.978 2.210 1.00 22.11 O ATOM 1025 CB PHE A 66 1.510 -7.905 0.725 1.00 43.13 C ATOM 1026 CG PHE A 66 0.665 -6.913 -0.022 1.00 44.40 C ATOM 1027 CD1 PHE A 66 0.651 -6.898 -1.407 1.00 63.54 C ATOM 1028 CD2 PHE A 66 -0.114 -5.994 0.662 1.00 54.44 C ATOM 1029 CE1 PHE A 66 -0.125 -5.987 -2.098 1.00 14.13 C ATOM 1030 CE2 PHE A 66 -0.893 -5.080 -0.023 1.00 73.12 C ATOM 1031 CZ PHE A 66 -0.898 -5.076 -1.404 1.00 41.15 C ATOM 0 H PHE A 66 3.582 -9.161 -0.403 1.00 65.43 H new ATOM 0 HA PHE A 66 3.091 -6.449 0.676 1.00 12.31 H new ATOM 0 HB2 PHE A 66 1.406 -8.884 0.257 1.00 43.13 H new ATOM 0 HB3 PHE A 66 1.133 -7.997 1.744 1.00 43.13 H new ATOM 0 HD1 PHE A 66 1.254 -7.607 -1.954 1.00 63.54 H new ATOM 0 HD2 PHE A 66 -0.113 -5.992 1.742 1.00 54.44 H new ATOM 0 HE1 PHE A 66 -0.127 -5.987 -3.178 1.00 14.13 H new ATOM 0 HE2 PHE A 66 -1.497 -4.370 0.522 1.00 73.12 H new ATOM 0 HZ PHE A 66 -1.505 -4.362 -1.941 1.00 41.15 H new ATOM 1041 N GLU A 67 3.345 -7.146 3.143 1.00 33.22 N ATOM 1042 CA GLU A 67 3.860 -7.434 4.476 1.00 23.15 C ATOM 1043 C GLU A 67 2.938 -6.865 5.551 1.00 70.30 C ATOM 1044 O GLU A 67 2.820 -5.649 5.704 1.00 35.40 O ATOM 1045 CB GLU A 67 5.268 -6.856 4.639 1.00 72.31 C ATOM 1046 CG GLU A 67 6.126 -7.616 5.637 1.00 50.43 C ATOM 1047 CD GLU A 67 6.850 -6.697 6.601 1.00 4.32 C ATOM 1048 OE1 GLU A 67 6.175 -6.061 7.437 1.00 53.23 O ATOM 1049 OE2 GLU A 67 8.094 -6.614 6.520 1.00 20.22 O ATOM 0 H GLU A 67 2.793 -6.291 3.080 1.00 33.22 H new ATOM 0 HA GLU A 67 3.903 -8.517 4.594 1.00 23.15 H new ATOM 0 HB2 GLU A 67 5.766 -6.857 3.670 1.00 72.31 H new ATOM 0 HB3 GLU A 67 5.190 -5.816 4.957 1.00 72.31 H new ATOM 0 HG2 GLU A 67 5.497 -8.305 6.201 1.00 50.43 H new ATOM 0 HG3 GLU A 67 6.856 -8.219 5.098 1.00 50.43 H new ATOM 1056 N LYS A 68 2.286 -7.754 6.293 1.00 14.30 N ATOM 1057 CA LYS A 68 1.374 -7.343 7.354 1.00 11.12 C ATOM 1058 C LYS A 68 1.863 -7.835 8.713 1.00 71.35 C ATOM 1059 O LYS A 68 1.093 -7.907 9.671 1.00 64.42 O ATOM 1060 CB LYS A 68 -0.033 -7.879 7.082 1.00 73.22 C ATOM 1061 CG LYS A 68 -1.098 -7.280 7.984 1.00 41.40 C ATOM 1062 CD LYS A 68 -1.968 -8.356 8.612 1.00 42.25 C ATOM 1063 CE LYS A 68 -2.752 -7.817 9.798 1.00 53.11 C ATOM 1064 NZ LYS A 68 -4.031 -7.183 9.375 1.00 55.50 N ATOM 0 H LYS A 68 2.372 -8.764 6.179 1.00 14.30 H new ATOM 0 HA LYS A 68 1.344 -6.254 7.371 1.00 11.12 H new ATOM 0 HB2 LYS A 68 -0.294 -7.678 6.043 1.00 73.22 H new ATOM 0 HB3 LYS A 68 -0.030 -8.962 7.207 1.00 73.22 H new ATOM 0 HG2 LYS A 68 -0.622 -6.692 8.769 1.00 41.40 H new ATOM 0 HG3 LYS A 68 -1.722 -6.597 7.408 1.00 41.40 H new ATOM 0 HD2 LYS A 68 -2.659 -8.748 7.866 1.00 42.25 H new ATOM 0 HD3 LYS A 68 -1.343 -9.188 8.936 1.00 42.25 H new ATOM 0 HE2 LYS A 68 -2.962 -8.629 10.494 1.00 53.11 H new ATOM 0 HE3 LYS A 68 -2.145 -7.087 10.334 1.00 53.11 H new ATOM 0 HZ1 LYS A 68 -4.088 -6.222 9.768 1.00 55.50 H new ATOM 0 HZ2 LYS A 68 -4.068 -7.136 8.337 1.00 55.50 H new ATOM 0 HZ3 LYS A 68 -4.831 -7.748 9.725 1.00 55.50 H new ATOM 1078 N ARG A 69 3.146 -8.171 8.788 1.00 65.40 N ATOM 1079 CA ARG A 69 3.738 -8.656 10.029 1.00 35.53 C ATOM 1080 C ARG A 69 3.811 -7.542 11.068 1.00 1.55 C ATOM 1081 O ARG A 69 4.166 -7.778 12.223 1.00 24.22 O ATOM 1082 CB ARG A 69 5.136 -9.218 9.768 1.00 44.31 C ATOM 1083 CG ARG A 69 5.488 -10.409 10.644 1.00 62.03 C ATOM 1084 CD ARG A 69 5.648 -11.678 9.821 1.00 55.23 C ATOM 1085 NE ARG A 69 6.208 -12.773 10.607 1.00 63.41 N ATOM 1086 CZ ARG A 69 6.125 -14.051 10.252 1.00 52.44 C ATOM 1087 NH1 ARG A 69 5.507 -14.391 9.129 1.00 41.11 N ATOM 1088 NH2 ARG A 69 6.660 -14.991 11.020 1.00 45.41 N ATOM 0 H ARG A 69 3.796 -8.116 8.004 1.00 65.40 H new ATOM 0 HA ARG A 69 3.102 -9.451 10.418 1.00 35.53 H new ATOM 0 HB2 ARG A 69 5.210 -9.513 8.721 1.00 44.31 H new ATOM 0 HB3 ARG A 69 5.871 -8.429 9.929 1.00 44.31 H new ATOM 0 HG2 ARG A 69 6.413 -10.205 11.183 1.00 62.03 H new ATOM 0 HG3 ARG A 69 4.709 -10.555 11.392 1.00 62.03 H new ATOM 0 HD2 ARG A 69 4.678 -11.977 9.423 1.00 55.23 H new ATOM 0 HD3 ARG A 69 6.295 -11.477 8.967 1.00 55.23 H new ATOM 0 HE ARG A 69 6.690 -12.545 11.477 1.00 63.41 H new ATOM 0 HH11 ARG A 69 5.094 -13.671 8.536 1.00 41.11 H new ATOM 0 HH12 ARG A 69 5.444 -15.372 8.858 1.00 41.11 H new ATOM 0 HH21 ARG A 69 7.136 -14.733 11.885 1.00 45.41 H new ATOM 0 HH22 ARG A 69 6.595 -15.971 10.746 1.00 45.41 H new ATOM 1102 N ARG A 70 3.473 -6.326 10.650 1.00 65.23 N ATOM 1103 CA ARG A 70 3.503 -5.175 11.543 1.00 1.43 C ATOM 1104 C ARG A 70 4.940 -4.766 11.856 1.00 54.21 C ATOM 1105 O ARG A 70 5.257 -4.389 12.983 1.00 24.21 O ATOM 1106 CB ARG A 70 2.757 -5.490 12.841 1.00 24.13 C ATOM 1107 CG ARG A 70 2.271 -4.254 13.580 1.00 75.12 C ATOM 1108 CD ARG A 70 1.783 -4.597 14.979 1.00 51.02 C ATOM 1109 NE ARG A 70 2.438 -3.785 16.001 1.00 20.40 N ATOM 1110 CZ ARG A 70 3.645 -4.050 16.487 1.00 25.23 C ATOM 1111 NH1 ARG A 70 4.326 -5.099 16.046 1.00 30.24 N ATOM 1112 NH2 ARG A 70 4.175 -3.264 17.416 1.00 32.44 N ATOM 0 H ARG A 70 3.175 -6.113 9.698 1.00 65.23 H new ATOM 0 HA ARG A 70 3.008 -4.344 11.040 1.00 1.43 H new ATOM 0 HB2 ARG A 70 1.902 -6.126 12.613 1.00 24.13 H new ATOM 0 HB3 ARG A 70 3.413 -6.061 13.498 1.00 24.13 H new ATOM 0 HG2 ARG A 70 3.079 -3.526 13.644 1.00 75.12 H new ATOM 0 HG3 ARG A 70 1.464 -3.786 13.017 1.00 75.12 H new ATOM 0 HD2 ARG A 70 0.705 -4.448 15.034 1.00 51.02 H new ATOM 0 HD3 ARG A 70 1.969 -5.652 15.180 1.00 51.02 H new ATOM 0 HE ARG A 70 1.941 -2.970 16.361 1.00 20.40 H new ATOM 0 HH11 ARG A 70 3.923 -5.705 15.331 1.00 30.24 H new ATOM 0 HH12 ARG A 70 5.253 -5.300 16.421 1.00 30.24 H new ATOM 0 HH21 ARG A 70 3.655 -2.456 17.757 1.00 32.44 H new ATOM 0 HH22 ARG A 70 5.102 -3.468 17.789 1.00 32.44 H new ATOM 1126 N GLY A 71 5.804 -4.844 10.849 1.00 43.43 N ATOM 1127 CA GLY A 71 7.196 -4.480 11.036 1.00 5.55 C ATOM 1128 C GLY A 71 7.452 -3.009 10.770 1.00 63.55 C ATOM 1129 O GLY A 71 8.600 -2.563 10.759 1.00 51.45 O ATOM 0 H GLY A 71 5.565 -5.153 9.907 1.00 43.43 H new ATOM 0 HA2 GLY A 71 7.497 -4.719 12.056 1.00 5.55 H new ATOM 0 HA3 GLY A 71 7.818 -5.080 10.371 1.00 5.55 H new ATOM 1133 N THR A 72 6.380 -2.254 10.552 1.00 44.33 N ATOM 1134 CA THR A 72 6.494 -0.826 10.281 1.00 60.34 C ATOM 1135 C THR A 72 5.207 -0.094 10.643 1.00 5.44 C ATOM 1136 O THR A 72 4.874 0.927 10.043 1.00 41.35 O ATOM 1137 CB THR A 72 6.823 -0.560 8.799 1.00 33.24 C ATOM 1138 OG1 THR A 72 6.077 -1.453 7.964 1.00 22.12 O ATOM 1139 CG2 THR A 72 8.311 -0.734 8.535 1.00 33.35 C ATOM 0 H THR A 72 5.423 -2.607 10.558 1.00 44.33 H new ATOM 0 HA THR A 72 7.309 -0.451 10.900 1.00 60.34 H new ATOM 0 HB THR A 72 6.547 0.469 8.567 1.00 33.24 H new ATOM 0 HG1 THR A 72 5.518 -0.935 7.348 1.00 22.12 H new ATOM 0 HG21 THR A 72 8.519 -0.541 7.483 1.00 33.35 H new ATOM 0 HG22 THR A 72 8.874 -0.033 9.151 1.00 33.35 H new ATOM 0 HG23 THR A 72 8.608 -1.753 8.783 1.00 33.35 H new ATOM 1147 N GLN A 73 4.490 -0.621 11.630 1.00 74.02 N ATOM 1148 CA GLN A 73 3.239 -0.016 12.072 1.00 50.41 C ATOM 1149 C GLN A 73 3.452 1.438 12.480 1.00 5.15 C ATOM 1150 O GLN A 73 4.070 1.721 13.506 1.00 33.14 O ATOM 1151 CB GLN A 73 2.651 -0.806 13.243 1.00 43.35 C ATOM 1152 CG GLN A 73 3.611 -0.967 14.411 1.00 53.25 C ATOM 1153 CD GLN A 73 3.302 -0.021 15.554 1.00 1.41 C ATOM 1154 OE1 GLN A 73 4.142 0.789 15.949 1.00 32.55 O ATOM 1155 NE2 GLN A 73 2.092 -0.117 16.092 1.00 21.15 N ATOM 0 H GLN A 73 4.754 -1.465 12.139 1.00 74.02 H new ATOM 0 HA GLN A 73 2.538 -0.041 11.238 1.00 50.41 H new ATOM 0 HB2 GLN A 73 1.748 -0.305 13.592 1.00 43.35 H new ATOM 0 HB3 GLN A 73 2.352 -1.793 12.891 1.00 43.35 H new ATOM 0 HG2 GLN A 73 3.568 -1.994 14.773 1.00 53.25 H new ATOM 0 HG3 GLN A 73 4.630 -0.793 14.066 1.00 53.25 H new ATOM 0 HE21 GLN A 73 1.427 -0.803 15.733 1.00 21.15 H new ATOM 0 HE22 GLN A 73 1.827 0.495 16.864 1.00 21.15 H new ATOM 1164 N GLY A 74 2.938 2.358 11.670 1.00 75.44 N ATOM 1165 CA GLY A 74 3.083 3.771 11.964 1.00 40.24 C ATOM 1166 C GLY A 74 4.386 4.341 11.440 1.00 42.22 C ATOM 1167 O GLY A 74 4.579 5.556 11.429 1.00 1.51 O ATOM 0 H GLY A 74 2.423 2.149 10.815 1.00 75.44 H new ATOM 0 HA2 GLY A 74 2.248 4.318 11.525 1.00 40.24 H new ATOM 0 HA3 GLY A 74 3.031 3.922 13.042 1.00 40.24 H new ATOM 1171 N GLU A 75 5.283 3.461 11.006 1.00 43.32 N ATOM 1172 CA GLU A 75 6.576 3.885 10.481 1.00 40.12 C ATOM 1173 C GLU A 75 6.441 4.395 9.049 1.00 51.40 C ATOM 1174 O GLU A 75 7.222 5.235 8.602 1.00 72.22 O ATOM 1175 CB GLU A 75 7.575 2.728 10.529 1.00 24.52 C ATOM 1176 CG GLU A 75 9.018 3.175 10.699 1.00 55.14 C ATOM 1177 CD GLU A 75 9.339 3.581 12.124 1.00 71.40 C ATOM 1178 OE1 GLU A 75 8.415 3.576 12.964 1.00 32.42 O ATOM 1179 OE2 GLU A 75 10.513 3.903 12.399 1.00 3.03 O ATOM 0 H GLU A 75 5.138 2.451 11.008 1.00 43.32 H new ATOM 0 HA GLU A 75 6.943 4.699 11.106 1.00 40.12 H new ATOM 0 HB2 GLU A 75 7.310 2.064 11.352 1.00 24.52 H new ATOM 0 HB3 GLU A 75 7.489 2.147 9.611 1.00 24.52 H new ATOM 0 HG2 GLU A 75 9.683 2.366 10.397 1.00 55.14 H new ATOM 0 HG3 GLU A 75 9.215 4.015 10.033 1.00 55.14 H new ATOM 1186 N ALA A 76 5.445 3.881 8.335 1.00 14.24 N ATOM 1187 CA ALA A 76 5.206 4.285 6.955 1.00 33.04 C ATOM 1188 C ALA A 76 4.477 5.623 6.893 1.00 34.22 C ATOM 1189 O ALA A 76 4.335 6.214 5.823 1.00 41.23 O ATOM 1190 CB ALA A 76 4.411 3.214 6.222 1.00 4.22 C ATOM 0 H ALA A 76 4.790 3.184 8.690 1.00 14.24 H new ATOM 0 HA ALA A 76 6.172 4.405 6.465 1.00 33.04 H new ATOM 0 HB1 ALA A 76 4.240 3.529 5.193 1.00 4.22 H new ATOM 0 HB2 ALA A 76 4.970 2.278 6.227 1.00 4.22 H new ATOM 0 HB3 ALA A 76 3.453 3.067 6.721 1.00 4.22 H new ATOM 1196 N ARG A 77 4.015 6.094 8.047 1.00 40.11 N ATOM 1197 CA ARG A 77 3.299 7.362 8.123 1.00 75.54 C ATOM 1198 C ARG A 77 4.268 8.538 8.071 1.00 5.31 C ATOM 1199 O ARG A 77 3.880 9.662 7.756 1.00 52.54 O ATOM 1200 CB ARG A 77 2.469 7.427 9.406 1.00 35.30 C ATOM 1201 CG ARG A 77 1.114 6.747 9.290 1.00 12.44 C ATOM 1202 CD ARG A 77 0.004 7.617 9.861 1.00 22.31 C ATOM 1203 NE ARG A 77 -1.321 7.097 9.534 1.00 10.14 N ATOM 1204 CZ ARG A 77 -1.907 6.108 10.199 1.00 21.44 C ATOM 1205 NH1 ARG A 77 -1.288 5.534 11.222 1.00 0.11 N ATOM 1206 NH2 ARG A 77 -3.115 5.690 9.842 1.00 44.20 N ATOM 0 H ARG A 77 4.124 5.617 8.942 1.00 40.11 H new ATOM 0 HA ARG A 77 2.632 7.426 7.263 1.00 75.54 H new ATOM 0 HB2 ARG A 77 3.031 6.962 10.216 1.00 35.30 H new ATOM 0 HB3 ARG A 77 2.320 8.471 9.680 1.00 35.30 H new ATOM 0 HG2 ARG A 77 0.904 6.528 8.243 1.00 12.44 H new ATOM 0 HG3 ARG A 77 1.138 5.793 9.817 1.00 12.44 H new ATOM 0 HD2 ARG A 77 0.112 7.679 10.944 1.00 22.31 H new ATOM 0 HD3 ARG A 77 0.102 8.631 9.473 1.00 22.31 H new ATOM 0 HE ARG A 77 -1.824 7.516 8.752 1.00 10.14 H new ATOM 0 HH11 ARG A 77 -0.359 5.852 11.500 1.00 0.11 H new ATOM 0 HH12 ARG A 77 -1.740 4.775 11.731 1.00 0.11 H new ATOM 0 HH21 ARG A 77 -3.595 6.128 9.056 1.00 44.20 H new ATOM 0 HH22 ARG A 77 -3.564 4.930 10.354 1.00 44.20 H new ATOM 1220 N ALA A 78 5.532 8.271 8.384 1.00 62.01 N ATOM 1221 CA ALA A 78 6.558 9.307 8.372 1.00 73.22 C ATOM 1222 C ALA A 78 7.668 8.968 7.383 1.00 3.22 C ATOM 1223 O ALA A 78 8.120 9.826 6.625 1.00 44.42 O ATOM 1224 CB ALA A 78 7.131 9.498 9.768 1.00 24.30 C ATOM 0 H ALA A 78 5.870 7.346 8.649 1.00 62.01 H new ATOM 0 HA ALA A 78 6.095 10.240 8.051 1.00 73.22 H new ATOM 0 HB1 ALA A 78 7.896 10.274 9.744 1.00 24.30 H new ATOM 0 HB2 ALA A 78 6.335 9.794 10.451 1.00 24.30 H new ATOM 0 HB3 ALA A 78 7.574 8.563 10.111 1.00 24.30 H new ATOM 1230 N TYR A 79 8.104 7.714 7.397 1.00 20.53 N ATOM 1231 CA TYR A 79 9.164 7.263 6.504 1.00 65.31 C ATOM 1232 C TYR A 79 8.595 6.837 5.154 1.00 23.41 C ATOM 1233 O TYR A 79 9.210 7.059 4.111 1.00 75.43 O ATOM 1234 CB TYR A 79 9.933 6.101 7.136 1.00 73.43 C ATOM 1235 CG TYR A 79 10.886 5.415 6.183 1.00 54.34 C ATOM 1236 CD1 TYR A 79 11.684 6.153 5.318 1.00 45.52 C ATOM 1237 CD2 TYR A 79 10.987 4.030 6.146 1.00 54.21 C ATOM 1238 CE1 TYR A 79 12.556 5.532 4.445 1.00 62.23 C ATOM 1239 CE2 TYR A 79 11.857 3.400 5.277 1.00 15.13 C ATOM 1240 CZ TYR A 79 12.639 4.155 4.429 1.00 51.14 C ATOM 1241 OH TYR A 79 13.506 3.531 3.561 1.00 54.23 O ATOM 0 H TYR A 79 7.739 6.991 8.017 1.00 20.53 H new ATOM 0 HA TYR A 79 9.847 8.097 6.343 1.00 65.31 H new ATOM 0 HB2 TYR A 79 10.494 6.472 7.994 1.00 73.43 H new ATOM 0 HB3 TYR A 79 9.220 5.368 7.514 1.00 73.43 H new ATOM 0 HD1 TYR A 79 11.622 7.231 5.328 1.00 45.52 H new ATOM 0 HD2 TYR A 79 10.375 3.435 6.808 1.00 54.21 H new ATOM 0 HE1 TYR A 79 13.169 6.121 3.779 1.00 62.23 H new ATOM 0 HE2 TYR A 79 11.924 2.322 5.262 1.00 15.13 H new ATOM 0 HH TYR A 79 13.443 2.560 3.677 1.00 54.23 H new ATOM 1251 N SER A 80 7.416 6.224 5.183 1.00 22.43 N ATOM 1252 CA SER A 80 6.764 5.763 3.963 1.00 33.24 C ATOM 1253 C SER A 80 7.603 4.695 3.268 1.00 2.32 C ATOM 1254 O SER A 80 7.382 3.499 3.453 1.00 61.21 O ATOM 1255 CB SER A 80 6.524 6.938 3.013 1.00 33.33 C ATOM 1256 OG SER A 80 5.596 7.857 3.563 1.00 33.21 O ATOM 0 H SER A 80 6.893 6.035 6.038 1.00 22.43 H new ATOM 0 HA SER A 80 5.804 5.324 4.237 1.00 33.24 H new ATOM 0 HB2 SER A 80 7.467 7.446 2.812 1.00 33.33 H new ATOM 0 HB3 SER A 80 6.151 6.567 2.058 1.00 33.33 H new ATOM 0 HG SER A 80 5.132 7.441 4.319 1.00 33.21 H new ATOM 1262 N MET A 81 8.567 5.138 2.468 1.00 64.02 N ATOM 1263 CA MET A 81 9.441 4.221 1.745 1.00 4.13 C ATOM 1264 C MET A 81 10.745 4.909 1.353 1.00 63.41 C ATOM 1265 O MET A 81 10.973 6.071 1.690 1.00 34.34 O ATOM 1266 CB MET A 81 8.736 3.688 0.497 1.00 64.04 C ATOM 1267 CG MET A 81 7.722 4.657 -0.089 1.00 22.00 C ATOM 1268 SD MET A 81 6.039 4.318 0.462 1.00 2.24 S ATOM 1269 CE MET A 81 5.176 5.748 -0.185 1.00 64.14 C ATOM 0 H MET A 81 8.763 6.125 2.304 1.00 64.02 H new ATOM 0 HA MET A 81 9.676 3.386 2.405 1.00 4.13 H new ATOM 0 HB2 MET A 81 9.484 3.455 -0.261 1.00 64.04 H new ATOM 0 HB3 MET A 81 8.232 2.754 0.745 1.00 64.04 H new ATOM 0 HG2 MET A 81 7.994 5.675 0.191 1.00 22.00 H new ATOM 0 HG3 MET A 81 7.762 4.604 -1.177 1.00 22.00 H new ATOM 0 HE1 MET A 81 4.197 5.827 0.288 1.00 64.14 H new ATOM 0 HE2 MET A 81 5.754 6.648 0.025 1.00 64.14 H new ATOM 0 HE3 MET A 81 5.051 5.641 -1.262 1.00 64.14 H new ATOM 1279 N LYS A 82 11.599 4.184 0.639 1.00 65.35 N ATOM 1280 CA LYS A 82 12.881 4.723 0.199 1.00 53.41 C ATOM 1281 C LYS A 82 12.696 6.072 -0.490 1.00 33.15 C ATOM 1282 O LYS A 82 12.284 6.136 -1.647 1.00 61.14 O ATOM 1283 CB LYS A 82 13.571 3.743 -0.753 1.00 13.43 C ATOM 1284 CG LYS A 82 14.205 2.556 -0.049 1.00 0.54 C ATOM 1285 CD LYS A 82 15.252 1.885 -0.921 1.00 60.23 C ATOM 1286 CE LYS A 82 16.099 0.906 -0.122 1.00 41.33 C ATOM 1287 NZ LYS A 82 17.177 1.598 0.637 1.00 22.25 N ATOM 0 H LYS A 82 11.427 3.220 0.352 1.00 65.35 H new ATOM 0 HA LYS A 82 13.508 4.866 1.079 1.00 53.41 H new ATOM 0 HB2 LYS A 82 12.842 3.379 -1.477 1.00 13.43 H new ATOM 0 HB3 LYS A 82 14.339 4.275 -1.314 1.00 13.43 H new ATOM 0 HG2 LYS A 82 14.664 2.887 0.883 1.00 0.54 H new ATOM 0 HG3 LYS A 82 13.433 1.833 0.215 1.00 0.54 H new ATOM 0 HD2 LYS A 82 14.762 1.359 -1.740 1.00 60.23 H new ATOM 0 HD3 LYS A 82 15.895 2.643 -1.368 1.00 60.23 H new ATOM 0 HE2 LYS A 82 15.462 0.356 0.571 1.00 41.33 H new ATOM 0 HE3 LYS A 82 16.542 0.174 -0.797 1.00 41.33 H new ATOM 0 HZ1 LYS A 82 17.732 0.897 1.168 1.00 22.25 H new ATOM 0 HZ2 LYS A 82 17.800 2.102 -0.026 1.00 22.25 H new ATOM 0 HZ3 LYS A 82 16.753 2.279 1.299 1.00 22.25 H new ATOM 1301 N GLU A 83 13.004 7.146 0.230 1.00 12.24 N ATOM 1302 CA GLU A 83 12.872 8.493 -0.313 1.00 74.21 C ATOM 1303 C GLU A 83 13.838 8.708 -1.475 1.00 35.13 C ATOM 1304 O GLU A 83 13.528 9.421 -2.430 1.00 31.34 O ATOM 1305 CB GLU A 83 13.129 9.534 0.778 1.00 54.51 C ATOM 1306 CG GLU A 83 12.022 10.568 0.905 1.00 2.11 C ATOM 1307 CD GLU A 83 12.210 11.479 2.103 1.00 52.02 C ATOM 1308 OE1 GLU A 83 13.370 11.685 2.516 1.00 12.32 O ATOM 1309 OE2 GLU A 83 11.195 11.986 2.626 1.00 25.04 O ATOM 0 H GLU A 83 13.346 7.110 1.190 1.00 12.24 H new ATOM 0 HA GLU A 83 11.854 8.610 -0.683 1.00 74.21 H new ATOM 0 HB2 GLU A 83 13.250 9.024 1.734 1.00 54.51 H new ATOM 0 HB3 GLU A 83 14.069 10.044 0.568 1.00 54.51 H new ATOM 0 HG2 GLU A 83 11.986 11.170 -0.003 1.00 2.11 H new ATOM 0 HG3 GLU A 83 11.062 10.059 0.987 1.00 2.11 H new ATOM 1316 N ASP A 84 15.009 8.087 -1.385 1.00 54.31 N ATOM 1317 CA ASP A 84 16.021 8.210 -2.428 1.00 34.31 C ATOM 1318 C ASP A 84 15.451 7.815 -3.787 1.00 12.30 C ATOM 1319 O ASP A 84 15.824 8.379 -4.817 1.00 13.05 O ATOM 1320 CB ASP A 84 17.233 7.338 -2.097 1.00 32.22 C ATOM 1321 CG ASP A 84 18.107 7.947 -1.019 1.00 3.51 C ATOM 1322 OD1 ASP A 84 17.657 8.910 -0.364 1.00 15.12 O ATOM 1323 OD2 ASP A 84 19.243 7.463 -0.831 1.00 30.51 O ATOM 0 H ASP A 84 15.281 7.494 -0.601 1.00 54.31 H new ATOM 0 HA ASP A 84 16.335 9.253 -2.475 1.00 34.31 H new ATOM 0 HB2 ASP A 84 16.892 6.355 -1.772 1.00 32.22 H new ATOM 0 HB3 ASP A 84 17.826 7.187 -2.999 1.00 32.22 H new ATOM 1328 N THR A 85 14.545 6.842 -3.784 1.00 10.24 N ATOM 1329 CA THR A 85 13.925 6.371 -5.015 1.00 63.45 C ATOM 1330 C THR A 85 12.568 7.029 -5.235 1.00 71.41 C ATOM 1331 O THR A 85 11.824 6.652 -6.141 1.00 30.43 O ATOM 1332 CB THR A 85 13.746 4.841 -5.004 1.00 74.20 C ATOM 1333 OG1 THR A 85 13.140 4.428 -3.774 1.00 25.23 O ATOM 1334 CG2 THR A 85 15.083 4.138 -5.178 1.00 62.53 C ATOM 0 H THR A 85 14.225 6.365 -2.941 1.00 10.24 H new ATOM 0 HA THR A 85 14.594 6.645 -5.831 1.00 63.45 H new ATOM 0 HB THR A 85 13.099 4.567 -5.837 1.00 74.20 H new ATOM 0 HG1 THR A 85 12.803 5.214 -3.295 1.00 25.23 H new ATOM 0 HG21 THR A 85 14.931 3.059 -5.167 1.00 62.53 H new ATOM 0 HG22 THR A 85 15.528 4.432 -6.129 1.00 62.53 H new ATOM 0 HG23 THR A 85 15.750 4.419 -4.363 1.00 62.53 H new ATOM 1342 N ARG A 86 12.251 8.014 -4.401 1.00 45.25 N ATOM 1343 CA ARG A 86 10.983 8.724 -4.505 1.00 15.52 C ATOM 1344 C ARG A 86 10.882 9.468 -5.834 1.00 21.52 C ATOM 1345 O ARG A 86 11.708 10.329 -6.140 1.00 32.21 O ATOM 1346 CB ARG A 86 10.829 9.710 -3.345 1.00 22.34 C ATOM 1347 CG ARG A 86 9.388 10.105 -3.068 1.00 11.21 C ATOM 1348 CD ARG A 86 9.235 10.725 -1.688 1.00 25.35 C ATOM 1349 NE ARG A 86 8.368 11.900 -1.708 1.00 23.34 N ATOM 1350 CZ ARG A 86 8.237 12.733 -0.682 1.00 13.50 C ATOM 1351 NH1 ARG A 86 8.913 12.523 0.439 1.00 34.30 N ATOM 1352 NH2 ARG A 86 7.428 13.781 -0.777 1.00 11.23 N ATOM 0 H ARG A 86 12.855 8.338 -3.646 1.00 45.25 H new ATOM 0 HA ARG A 86 10.180 7.988 -4.458 1.00 15.52 H new ATOM 0 HB2 ARG A 86 11.255 9.268 -2.444 1.00 22.34 H new ATOM 0 HB3 ARG A 86 11.407 10.608 -3.563 1.00 22.34 H new ATOM 0 HG2 ARG A 86 9.052 10.813 -3.825 1.00 11.21 H new ATOM 0 HG3 ARG A 86 8.747 9.227 -3.146 1.00 11.21 H new ATOM 0 HD2 ARG A 86 8.825 9.984 -1.001 1.00 25.35 H new ATOM 0 HD3 ARG A 86 10.217 11.005 -1.306 1.00 25.35 H new ATOM 0 HE ARG A 86 7.834 12.091 -2.556 1.00 23.34 H new ATOM 0 HH11 ARG A 86 9.536 11.719 0.516 1.00 34.30 H new ATOM 0 HH12 ARG A 86 8.810 13.165 1.225 1.00 34.30 H new ATOM 0 HH21 ARG A 86 6.907 13.947 -1.638 1.00 11.23 H new ATOM 0 HH22 ARG A 86 7.327 14.421 0.011 1.00 11.23 H new ATOM 1366 N LEU A 87 9.866 9.129 -6.620 1.00 22.53 N ATOM 1367 CA LEU A 87 9.658 9.763 -7.917 1.00 35.22 C ATOM 1368 C LEU A 87 8.461 10.708 -7.874 1.00 43.25 C ATOM 1369 O LEU A 87 8.600 11.910 -8.101 1.00 71.42 O ATOM 1370 CB LEU A 87 9.445 8.701 -8.997 1.00 41.24 C ATOM 1371 CG LEU A 87 10.061 9.002 -10.364 1.00 54.34 C ATOM 1372 CD1 LEU A 87 9.586 7.992 -11.398 1.00 11.43 C ATOM 1373 CD2 LEU A 87 9.718 10.418 -10.803 1.00 52.53 C ATOM 0 H LEU A 87 9.174 8.419 -6.382 1.00 22.53 H new ATOM 0 HA LEU A 87 10.548 10.344 -8.158 1.00 35.22 H new ATOM 0 HB2 LEU A 87 9.854 7.757 -8.636 1.00 41.24 H new ATOM 0 HB3 LEU A 87 8.373 8.554 -9.128 1.00 41.24 H new ATOM 0 HG LEU A 87 11.145 8.921 -10.278 1.00 54.34 H new ATOM 0 HD11 LEU A 87 10.035 8.222 -12.364 1.00 11.43 H new ATOM 0 HD12 LEU A 87 9.882 6.989 -11.090 1.00 11.43 H new ATOM 0 HD13 LEU A 87 8.500 8.040 -11.481 1.00 11.43 H new ATOM 0 HD21 LEU A 87 10.164 10.615 -11.778 1.00 52.53 H new ATOM 0 HD22 LEU A 87 8.635 10.526 -10.871 1.00 52.53 H new ATOM 0 HD23 LEU A 87 10.108 11.129 -10.075 1.00 52.53 H new ATOM 1385 N GLU A 88 7.288 10.157 -7.581 1.00 32.13 N ATOM 1386 CA GLU A 88 6.068 10.952 -7.507 1.00 51.41 C ATOM 1387 C GLU A 88 5.369 10.754 -6.165 1.00 70.32 C ATOM 1388 O GLU A 88 5.783 9.927 -5.353 1.00 43.35 O ATOM 1389 CB GLU A 88 5.120 10.579 -8.649 1.00 13.44 C ATOM 1390 CG GLU A 88 4.487 11.780 -9.331 1.00 14.30 C ATOM 1391 CD GLU A 88 5.515 12.767 -9.848 1.00 43.00 C ATOM 1392 OE1 GLU A 88 6.590 12.322 -10.301 1.00 23.40 O ATOM 1393 OE2 GLU A 88 5.245 13.985 -9.800 1.00 14.34 O ATOM 0 H GLU A 88 7.156 9.164 -7.391 1.00 32.13 H new ATOM 0 HA GLU A 88 6.343 12.002 -7.601 1.00 51.41 H new ATOM 0 HB2 GLU A 88 5.669 9.998 -9.390 1.00 13.44 H new ATOM 0 HB3 GLU A 88 4.331 9.935 -8.260 1.00 13.44 H new ATOM 0 HG2 GLU A 88 3.868 11.438 -10.161 1.00 14.30 H new ATOM 0 HG3 GLU A 88 3.825 12.285 -8.628 1.00 14.30 H new ATOM 1400 N GLY A 89 4.305 11.519 -5.939 1.00 45.33 N ATOM 1401 CA GLY A 89 3.566 11.413 -4.695 1.00 41.30 C ATOM 1402 C GLY A 89 4.052 12.394 -3.647 1.00 12.53 C ATOM 1403 O GLY A 89 4.836 13.301 -3.929 1.00 71.55 O ATOM 0 H GLY A 89 3.942 12.210 -6.595 1.00 45.33 H new ATOM 0 HA2 GLY A 89 2.508 11.588 -4.889 1.00 41.30 H new ATOM 0 HA3 GLY A 89 3.656 10.398 -4.308 1.00 41.30 H new ATOM 1407 N PRO A 90 3.580 12.220 -2.403 1.00 75.04 N ATOM 1408 CA PRO A 90 2.645 11.146 -2.055 1.00 61.41 C ATOM 1409 C PRO A 90 1.261 11.364 -2.656 1.00 14.24 C ATOM 1410 O PRO A 90 0.979 12.421 -3.220 1.00 54.21 O ATOM 1411 CB PRO A 90 2.582 11.212 -0.527 1.00 52.01 C ATOM 1412 CG PRO A 90 2.936 12.620 -0.194 1.00 53.32 C ATOM 1413 CD PRO A 90 3.921 13.058 -1.242 1.00 41.51 C ATOM 0 HA PRO A 90 2.972 10.180 -2.440 1.00 61.41 H new ATOM 0 HB2 PRO A 90 1.588 10.956 -0.160 1.00 52.01 H new ATOM 0 HB3 PRO A 90 3.280 10.510 -0.071 1.00 52.01 H new ATOM 0 HG2 PRO A 90 2.051 13.257 -0.200 1.00 53.32 H new ATOM 0 HG3 PRO A 90 3.371 12.688 0.803 1.00 53.32 H new ATOM 0 HD2 PRO A 90 3.820 14.119 -1.469 1.00 41.51 H new ATOM 0 HD3 PRO A 90 4.950 12.897 -0.919 1.00 41.51 H new ATOM 1421 N TRP A 91 0.401 10.360 -2.530 1.00 21.33 N ATOM 1422 CA TRP A 91 -0.955 10.443 -3.060 1.00 41.22 C ATOM 1423 C TRP A 91 -1.950 9.773 -2.119 1.00 62.33 C ATOM 1424 O TRP A 91 -1.718 8.660 -1.648 1.00 3.34 O ATOM 1425 CB TRP A 91 -1.024 9.793 -4.443 1.00 54.41 C ATOM 1426 CG TRP A 91 -0.441 10.645 -5.530 1.00 10.13 C ATOM 1427 CD1 TRP A 91 -0.544 12.001 -5.652 1.00 41.42 C ATOM 1428 CD2 TRP A 91 0.334 10.197 -6.647 1.00 72.11 C ATOM 1429 NE1 TRP A 91 0.120 12.423 -6.779 1.00 4.34 N ATOM 1430 CE2 TRP A 91 0.668 11.336 -7.406 1.00 21.32 C ATOM 1431 CE3 TRP A 91 0.780 8.945 -7.079 1.00 54.04 C ATOM 1432 CZ2 TRP A 91 1.426 11.257 -8.571 1.00 55.14 C ATOM 1433 CZ3 TRP A 91 1.531 8.869 -8.237 1.00 31.34 C ATOM 1434 CH2 TRP A 91 1.849 10.019 -8.971 1.00 74.35 C ATOM 0 H TRP A 91 0.619 9.479 -2.065 1.00 21.33 H new ATOM 0 HA TRP A 91 -1.220 11.497 -3.148 1.00 41.22 H new ATOM 0 HB2 TRP A 91 -0.496 8.840 -4.415 1.00 54.41 H new ATOM 0 HB3 TRP A 91 -2.065 9.574 -4.682 1.00 54.41 H new ATOM 0 HD1 TRP A 91 -1.070 12.647 -4.964 1.00 41.42 H new ATOM 0 HE1 TRP A 91 0.193 13.389 -7.097 1.00 4.34 H new ATOM 0 HE3 TRP A 91 0.542 8.053 -6.518 1.00 54.04 H new ATOM 0 HZ2 TRP A 91 1.672 12.142 -9.139 1.00 55.14 H new ATOM 0 HZ3 TRP A 91 1.879 7.906 -8.582 1.00 31.34 H new ATOM 0 HH2 TRP A 91 2.440 9.926 -9.870 1.00 74.35 H new ATOM 1445 N GLU A 92 -3.058 10.457 -1.851 1.00 62.22 N ATOM 1446 CA GLU A 92 -4.087 9.926 -0.965 1.00 71.54 C ATOM 1447 C GLU A 92 -5.407 9.747 -1.710 1.00 41.25 C ATOM 1448 O GLU A 92 -5.812 10.608 -2.492 1.00 72.11 O ATOM 1449 CB GLU A 92 -4.288 10.854 0.234 1.00 25.34 C ATOM 1450 CG GLU A 92 -3.282 10.630 1.352 1.00 72.04 C ATOM 1451 CD GLU A 92 -3.229 11.788 2.329 1.00 33.13 C ATOM 1452 OE1 GLU A 92 -3.336 12.949 1.882 1.00 73.54 O ATOM 1453 OE2 GLU A 92 -3.081 11.532 3.543 1.00 51.42 O ATOM 0 H GLU A 92 -3.266 11.379 -2.234 1.00 62.22 H new ATOM 0 HA GLU A 92 -3.755 8.951 -0.609 1.00 71.54 H new ATOM 0 HB2 GLU A 92 -4.220 11.889 -0.102 1.00 25.34 H new ATOM 0 HB3 GLU A 92 -5.294 10.712 0.628 1.00 25.34 H new ATOM 0 HG2 GLU A 92 -3.539 9.717 1.890 1.00 72.04 H new ATOM 0 HG3 GLU A 92 -2.293 10.478 0.921 1.00 72.04 H new ATOM 1460 N TYR A 93 -6.072 8.624 -1.463 1.00 1.31 N ATOM 1461 CA TYR A 93 -7.344 8.331 -2.112 1.00 31.42 C ATOM 1462 C TYR A 93 -8.305 7.649 -1.143 1.00 33.31 C ATOM 1463 O TYR A 93 -7.895 7.130 -0.105 1.00 52.43 O ATOM 1464 CB TYR A 93 -7.122 7.443 -3.337 1.00 75.44 C ATOM 1465 CG TYR A 93 -6.529 8.177 -4.518 1.00 51.42 C ATOM 1466 CD1 TYR A 93 -7.345 8.790 -5.462 1.00 31.15 C ATOM 1467 CD2 TYR A 93 -5.153 8.258 -4.691 1.00 40.42 C ATOM 1468 CE1 TYR A 93 -6.808 9.462 -6.542 1.00 64.34 C ATOM 1469 CE2 TYR A 93 -4.607 8.929 -5.768 1.00 43.31 C ATOM 1470 CZ TYR A 93 -5.438 9.529 -6.691 1.00 10.10 C ATOM 1471 OH TYR A 93 -4.898 10.197 -7.766 1.00 2.21 O ATOM 0 H TYR A 93 -5.751 7.902 -0.818 1.00 1.31 H new ATOM 0 HA TYR A 93 -7.787 9.275 -2.431 1.00 31.42 H new ATOM 0 HB2 TYR A 93 -6.462 6.619 -3.063 1.00 75.44 H new ATOM 0 HB3 TYR A 93 -8.074 7.004 -3.634 1.00 75.44 H new ATOM 0 HD1 TYR A 93 -8.418 8.740 -5.349 1.00 31.15 H new ATOM 0 HD2 TYR A 93 -4.499 7.788 -3.971 1.00 40.42 H new ATOM 0 HE1 TYR A 93 -7.457 9.933 -7.266 1.00 64.34 H new ATOM 0 HE2 TYR A 93 -3.535 8.984 -5.887 1.00 43.31 H new ATOM 0 HH TYR A 93 -3.920 10.151 -7.722 1.00 2.21 H new ATOM 1481 N GLY A 94 -9.589 7.653 -1.491 1.00 44.20 N ATOM 1482 CA GLY A 94 -10.589 7.032 -0.643 1.00 54.22 C ATOM 1483 C GLY A 94 -11.162 7.995 0.378 1.00 22.44 C ATOM 1484 O GLY A 94 -11.225 9.200 0.138 1.00 64.45 O ATOM 0 H GLY A 94 -9.954 8.075 -2.345 1.00 44.20 H new ATOM 0 HA2 GLY A 94 -11.396 6.643 -1.264 1.00 54.22 H new ATOM 0 HA3 GLY A 94 -10.145 6.181 -0.126 1.00 54.22 H new ATOM 1488 N GLU A 95 -11.582 7.461 1.521 1.00 2.35 N ATOM 1489 CA GLU A 95 -12.154 8.282 2.582 1.00 55.32 C ATOM 1490 C GLU A 95 -11.222 9.436 2.941 1.00 61.35 C ATOM 1491 O GLU A 95 -11.491 10.590 2.610 1.00 31.00 O ATOM 1492 CB GLU A 95 -12.432 7.431 3.823 1.00 42.32 C ATOM 1493 CG GLU A 95 -12.822 8.246 5.045 1.00 74.25 C ATOM 1494 CD GLU A 95 -13.251 7.378 6.212 1.00 64.12 C ATOM 1495 OE1 GLU A 95 -12.374 6.974 7.004 1.00 33.41 O ATOM 1496 OE2 GLU A 95 -14.463 7.103 6.333 1.00 40.33 O ATOM 0 H GLU A 95 -11.537 6.465 1.736 1.00 2.35 H new ATOM 0 HA GLU A 95 -13.094 8.697 2.217 1.00 55.32 H new ATOM 0 HB2 GLU A 95 -13.231 6.725 3.597 1.00 42.32 H new ATOM 0 HB3 GLU A 95 -11.544 6.844 4.057 1.00 42.32 H new ATOM 0 HG2 GLU A 95 -11.978 8.865 5.349 1.00 74.25 H new ATOM 0 HG3 GLU A 95 -13.635 8.922 4.782 1.00 74.25 H new TER 1503 GLU A 95