USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=23 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= -3.27 K(o=-10,f=-13!) USER MOD Set 1.2: A 81 MET CE :methyl -169:sc= -6.79! (180deg=-7.22!) USER MOD Set 2.1: A 41 HIS : no HE2:sc= -6.63 K(o=-11,f=-11!) USER MOD Set 2.2: A 43 GLN : amide:sc= -4.76! C(o=-11!,f=-17!) USER MOD Set 3.1: A 22 HIS : no HD1:sc= -7.55! C(o=-19!,f=-22!) USER MOD Set 3.2: A 24 SER OG : rot -170:sc= -0.463 USER MOD Set 3.3: A 25 MET CE :methyl -154:sc= -4.34! (180deg=-6.02!) USER MOD Set 3.4: A 48 MET CE :methyl 135:sc= -2.89 (180deg=-1.13) USER MOD Set 3.5: A 57 MET CE :methyl 138:sc= -3.52 (180deg=-6.43!) USER MOD Set 4.1: A 7 CYS SG : rot 66:sc= -0.322 USER MOD Set 4.2: A 9 CYS SG : rot 180:sc= 0.0168 USER MOD Set 4.3: A 72 THR OG1 : rot 180:sc= -0.486 USER MOD Single : A 4 GLN : amide:sc= -0.046 X(o=-0.046,f=-0.34) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.33 K(o=-0.33,f=-1.1) USER MOD Single : A 14 ASN : amide:sc= -1.02 K(o=-1,f=-2.5!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 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 105:sc= -1.7 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -41:sc= 0.611 USER MOD Single : A 34 GLN : amide:sc= -0.149 K(o=-0.15,f=-0.97) USER MOD Single : A 39 ASN : amide:sc= -1.71 K(o=-1.7,f=-0.58) 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= -0.0217 USER MOD Single : A 53 SER OG : rot 180:sc= 0.0805 USER MOD Single : A 58 LYS NZ :NH3+ -142:sc= 0 (180deg=-0.236) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HD1:sc=-4.15e-05 X(o=-4.2e-05,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.805 X(o=-0.8,f=-1.2) USER MOD Single : A 79 TYR OH : rot 130:sc= -1.3 USER MOD Single : A 80 SER OG : rot -21:sc= 1.21 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -14.100 1.173 19.587 1.00 53.23 N ATOM 2 CA ALA A 2 -13.611 0.642 18.321 1.00 43.14 C ATOM 3 C ALA A 2 -12.112 0.367 18.383 1.00 11.53 C ATOM 4 O ALA A 2 -11.399 0.947 19.202 1.00 1.43 O ATOM 5 CB ALA A 2 -13.926 1.606 17.187 1.00 44.53 C ATOM 0 HA ALA A 2 -14.120 -0.303 18.131 1.00 43.14 H new ATOM 0 HB1 ALA A 2 -13.555 1.196 16.248 1.00 44.53 H new ATOM 0 HB2 ALA A 2 -15.005 1.749 17.120 1.00 44.53 H new ATOM 0 HB3 ALA A 2 -13.445 2.565 17.380 1.00 44.53 H new ATOM 11 N ARG A 3 -11.641 -0.520 17.514 1.00 70.41 N ATOM 12 CA ARG A 3 -10.227 -0.873 17.472 1.00 30.23 C ATOM 13 C ARG A 3 -9.597 -0.439 16.152 1.00 30.11 C ATOM 14 O ARG A 3 -10.261 -0.411 15.117 1.00 74.14 O ATOM 15 CB ARG A 3 -10.050 -2.381 17.663 1.00 3.41 C ATOM 16 CG ARG A 3 -9.191 -2.746 18.863 1.00 52.11 C ATOM 17 CD ARG A 3 -7.938 -3.497 18.443 1.00 65.11 C ATOM 18 NE ARG A 3 -8.077 -4.940 18.624 1.00 54.43 N ATOM 19 CZ ARG A 3 -7.920 -5.553 19.792 1.00 44.45 C ATOM 20 NH1 ARG A 3 -7.619 -4.852 20.876 1.00 24.23 N ATOM 21 NH2 ARG A 3 -8.063 -6.869 19.876 1.00 54.00 N ATOM 0 H ARG A 3 -12.218 -1.008 16.829 1.00 70.41 H new ATOM 0 HA ARG A 3 -9.723 -0.349 18.284 1.00 30.23 H new ATOM 0 HB2 ARG A 3 -11.031 -2.842 17.775 1.00 3.41 H new ATOM 0 HB3 ARG A 3 -9.601 -2.802 16.764 1.00 3.41 H new ATOM 0 HG2 ARG A 3 -8.911 -1.840 19.400 1.00 52.11 H new ATOM 0 HG3 ARG A 3 -9.770 -3.359 19.553 1.00 52.11 H new ATOM 0 HD2 ARG A 3 -7.721 -3.282 17.397 1.00 65.11 H new ATOM 0 HD3 ARG A 3 -7.089 -3.139 19.025 1.00 65.11 H new ATOM 0 HE ARG A 3 -8.307 -5.508 17.809 1.00 54.43 H new ATOM 0 HH11 ARG A 3 -7.508 -3.840 20.814 1.00 24.23 H new ATOM 0 HH12 ARG A 3 -7.499 -5.325 21.772 1.00 24.23 H new ATOM 0 HH21 ARG A 3 -8.294 -7.411 19.043 1.00 54.00 H new ATOM 0 HH22 ARG A 3 -7.942 -7.339 20.773 1.00 54.00 H new ATOM 35 N GLN A 4 -8.312 -0.101 16.198 1.00 34.42 N ATOM 36 CA GLN A 4 -7.594 0.332 15.006 1.00 42.32 C ATOM 37 C GLN A 4 -6.888 -0.843 14.338 1.00 75.34 C ATOM 38 O GLN A 4 -6.485 -1.798 15.002 1.00 2.32 O ATOM 39 CB GLN A 4 -6.576 1.416 15.364 1.00 2.32 C ATOM 40 CG GLN A 4 -7.110 2.830 15.201 1.00 1.24 C ATOM 41 CD GLN A 4 -6.455 3.573 14.053 1.00 33.32 C ATOM 42 OE1 GLN A 4 -6.117 2.980 13.028 1.00 10.31 O ATOM 43 NE2 GLN A 4 -6.273 4.878 14.219 1.00 71.41 N ATOM 0 H GLN A 4 -7.748 -0.119 17.048 1.00 34.42 H new ATOM 0 HA GLN A 4 -8.321 0.742 14.305 1.00 42.32 H new ATOM 0 HB2 GLN A 4 -6.255 1.275 16.396 1.00 2.32 H new ATOM 0 HB3 GLN A 4 -5.693 1.295 14.736 1.00 2.32 H new ATOM 0 HG2 GLN A 4 -8.187 2.791 15.036 1.00 1.24 H new ATOM 0 HG3 GLN A 4 -6.949 3.384 16.126 1.00 1.24 H new ATOM 0 HE21 GLN A 4 -6.569 5.328 15.085 1.00 71.41 H new ATOM 0 HE22 GLN A 4 -5.838 5.430 13.480 1.00 71.41 H new ATOM 52 N VAL A 5 -6.744 -0.768 13.018 1.00 4.14 N ATOM 53 CA VAL A 5 -6.086 -1.825 12.260 1.00 74.42 C ATOM 54 C VAL A 5 -4.725 -1.369 11.747 1.00 72.22 C ATOM 55 O VAL A 5 -4.465 -0.171 11.629 1.00 61.55 O ATOM 56 CB VAL A 5 -6.948 -2.278 11.066 1.00 44.24 C ATOM 57 CG1 VAL A 5 -8.302 -2.778 11.543 1.00 32.41 C ATOM 58 CG2 VAL A 5 -7.111 -1.142 10.067 1.00 75.01 C ATOM 0 H VAL A 5 -7.074 0.014 12.452 1.00 4.14 H new ATOM 0 HA VAL A 5 -5.950 -2.665 12.941 1.00 74.42 H new ATOM 0 HB VAL A 5 -6.440 -3.102 10.565 1.00 44.24 H new ATOM 0 HG11 VAL A 5 -8.896 -3.093 10.685 1.00 32.41 H new ATOM 0 HG12 VAL A 5 -8.161 -3.623 12.217 1.00 32.41 H new ATOM 0 HG13 VAL A 5 -8.821 -1.977 12.069 1.00 32.41 H new ATOM 0 HG21 VAL A 5 -7.722 -1.479 9.230 1.00 75.01 H new ATOM 0 HG22 VAL A 5 -7.596 -0.296 10.554 1.00 75.01 H new ATOM 0 HG23 VAL A 5 -6.131 -0.836 9.701 1.00 75.01 H new ATOM 68 N ILE A 6 -3.861 -2.331 11.443 1.00 23.41 N ATOM 69 CA ILE A 6 -2.526 -2.028 10.941 1.00 74.31 C ATOM 70 C ILE A 6 -2.533 -1.869 9.424 1.00 21.13 C ATOM 71 O ILE A 6 -3.337 -2.490 8.728 1.00 30.22 O ATOM 72 CB ILE A 6 -1.517 -3.126 11.326 1.00 0.23 C ATOM 73 CG1 ILE A 6 -1.563 -3.385 12.834 1.00 50.05 C ATOM 74 CG2 ILE A 6 -0.113 -2.730 10.894 1.00 11.41 C ATOM 75 CD1 ILE A 6 -2.558 -4.452 13.233 1.00 65.51 C ATOM 0 H ILE A 6 -4.061 -3.327 11.535 1.00 23.41 H new ATOM 0 HA ILE A 6 -2.221 -1.088 11.402 1.00 74.31 H new ATOM 0 HB ILE A 6 -1.789 -4.046 10.809 1.00 0.23 H new ATOM 0 HG12 ILE A 6 -0.570 -3.680 13.174 1.00 50.05 H new ATOM 0 HG13 ILE A 6 -1.813 -2.456 13.347 1.00 50.05 H new ATOM 0 HG21 ILE A 6 0.589 -3.516 11.173 1.00 11.41 H new ATOM 0 HG22 ILE A 6 -0.091 -2.590 9.813 1.00 11.41 H new ATOM 0 HG23 ILE A 6 0.170 -1.799 11.386 1.00 11.41 H new ATOM 0 HD11 ILE A 6 -2.537 -4.583 14.315 1.00 65.51 H new ATOM 0 HD12 ILE A 6 -3.559 -4.150 12.923 1.00 65.51 H new ATOM 0 HD13 ILE A 6 -2.296 -5.393 12.749 1.00 65.51 H new ATOM 87 N CYS A 7 -1.631 -1.035 8.919 1.00 70.22 N ATOM 88 CA CYS A 7 -1.532 -0.795 7.484 1.00 44.15 C ATOM 89 C CYS A 7 -0.811 -1.945 6.788 1.00 33.52 C ATOM 90 O CYS A 7 -0.048 -2.681 7.414 1.00 72.42 O ATOM 91 CB CYS A 7 -0.797 0.519 7.215 1.00 1.31 C ATOM 92 SG CYS A 7 1.001 0.404 7.367 1.00 41.12 S ATOM 0 H CYS A 7 -0.958 -0.514 9.481 1.00 70.22 H new ATOM 0 HA CYS A 7 -2.543 -0.727 7.082 1.00 44.15 H new ATOM 0 HB2 CYS A 7 -1.045 0.862 6.211 1.00 1.31 H new ATOM 0 HB3 CYS A 7 -1.162 1.276 7.910 1.00 1.31 H new ATOM 0 HG CYS A 7 1.466 -0.374 6.436 1.00 41.12 H new ATOM 98 N TRP A 8 -1.060 -2.095 5.492 1.00 34.24 N ATOM 99 CA TRP A 8 -0.437 -3.158 4.712 1.00 24.02 C ATOM 100 C TRP A 8 0.649 -2.598 3.800 1.00 23.20 C ATOM 101 O TRP A 8 0.365 -1.832 2.878 1.00 35.44 O ATOM 102 CB TRP A 8 -1.489 -3.894 3.881 1.00 50.50 C ATOM 103 CG TRP A 8 -2.462 -4.675 4.711 1.00 24.32 C ATOM 104 CD1 TRP A 8 -3.372 -4.173 5.597 1.00 22.41 C ATOM 105 CD2 TRP A 8 -2.619 -6.098 4.734 1.00 72.22 C ATOM 106 NE1 TRP A 8 -4.086 -5.199 6.169 1.00 3.32 N ATOM 107 CE2 TRP A 8 -3.644 -6.389 5.656 1.00 63.22 C ATOM 108 CE3 TRP A 8 -1.996 -7.154 4.064 1.00 72.43 C ATOM 109 CZ2 TRP A 8 -4.056 -7.692 5.923 1.00 1.03 C ATOM 110 CZ3 TRP A 8 -2.406 -8.447 4.331 1.00 53.24 C ATOM 111 CH2 TRP A 8 -3.429 -8.707 5.253 1.00 44.30 C ATOM 0 H TRP A 8 -1.689 -1.494 4.959 1.00 34.24 H new ATOM 0 HA TRP A 8 0.024 -3.861 5.406 1.00 24.02 H new ATOM 0 HB2 TRP A 8 -2.036 -3.170 3.277 1.00 50.50 H new ATOM 0 HB3 TRP A 8 -0.987 -4.571 3.190 1.00 50.50 H new ATOM 0 HD1 TRP A 8 -3.510 -3.125 5.816 1.00 22.41 H new ATOM 0 HE1 TRP A 8 -4.825 -5.091 6.863 1.00 3.32 H new ATOM 0 HE3 TRP A 8 -1.208 -6.964 3.350 1.00 72.43 H new ATOM 0 HZ2 TRP A 8 -4.843 -7.894 6.634 1.00 1.03 H new ATOM 0 HZ3 TRP A 8 -1.930 -9.271 3.820 1.00 53.24 H new ATOM 0 HH2 TRP A 8 -3.728 -9.728 5.438 1.00 44.30 H new ATOM 122 N CYS A 9 1.893 -2.984 4.062 1.00 71.41 N ATOM 123 CA CYS A 9 3.022 -2.520 3.264 1.00 50.32 C ATOM 124 C CYS A 9 3.359 -3.521 2.164 1.00 61.20 C ATOM 125 O CYS A 9 3.723 -4.664 2.441 1.00 63.21 O ATOM 126 CB CYS A 9 4.244 -2.292 4.155 1.00 52.00 C ATOM 127 SG CYS A 9 3.889 -1.379 5.675 1.00 60.21 S ATOM 0 H CYS A 9 2.145 -3.617 4.821 1.00 71.41 H new ATOM 0 HA CYS A 9 2.741 -1.576 2.797 1.00 50.32 H new ATOM 0 HB2 CYS A 9 4.675 -3.258 4.417 1.00 52.00 H new ATOM 0 HB3 CYS A 9 4.999 -1.750 3.586 1.00 52.00 H new ATOM 0 HG CYS A 9 4.983 -1.238 6.362 1.00 60.21 H new ATOM 133 N PHE A 10 3.234 -3.085 0.915 1.00 53.10 N ATOM 134 CA PHE A 10 3.522 -3.944 -0.227 1.00 44.15 C ATOM 135 C PHE A 10 4.326 -3.192 -1.284 1.00 55.55 C ATOM 136 O PHE A 10 4.400 -1.962 -1.267 1.00 23.45 O ATOM 137 CB PHE A 10 2.222 -4.471 -0.838 1.00 0.30 C ATOM 138 CG PHE A 10 1.610 -3.537 -1.842 1.00 51.44 C ATOM 139 CD1 PHE A 10 1.034 -2.343 -1.437 1.00 71.32 C ATOM 140 CD2 PHE A 10 1.611 -3.852 -3.192 1.00 10.44 C ATOM 141 CE1 PHE A 10 0.469 -1.483 -2.359 1.00 43.54 C ATOM 142 CE2 PHE A 10 1.048 -2.994 -4.119 1.00 22.44 C ATOM 143 CZ PHE A 10 0.478 -1.808 -3.702 1.00 15.22 C ATOM 0 H PHE A 10 2.935 -2.142 0.668 1.00 53.10 H new ATOM 0 HA PHE A 10 4.117 -4.787 0.126 1.00 44.15 H new ATOM 0 HB2 PHE A 10 2.418 -5.430 -1.318 1.00 0.30 H new ATOM 0 HB3 PHE A 10 1.503 -4.655 -0.040 1.00 0.30 H new ATOM 0 HD1 PHE A 10 1.027 -2.082 -0.389 1.00 71.32 H new ATOM 0 HD2 PHE A 10 2.057 -4.778 -3.524 1.00 10.44 H new ATOM 0 HE1 PHE A 10 0.021 -0.557 -2.030 1.00 43.54 H new ATOM 0 HE2 PHE A 10 1.054 -3.252 -5.168 1.00 22.44 H new ATOM 0 HZ PHE A 10 0.040 -1.135 -4.424 1.00 15.22 H new ATOM 153 N THR A 11 4.926 -3.939 -2.206 1.00 2.43 N ATOM 154 CA THR A 11 5.725 -3.344 -3.270 1.00 24.23 C ATOM 155 C THR A 11 5.313 -3.885 -4.634 1.00 44.42 C ATOM 156 O THR A 11 5.323 -5.095 -4.863 1.00 11.13 O ATOM 157 CB THR A 11 7.228 -3.608 -3.058 1.00 21.21 C ATOM 158 OG1 THR A 11 7.550 -3.520 -1.665 1.00 75.43 O ATOM 159 CG2 THR A 11 8.068 -2.611 -3.841 1.00 44.13 C ATOM 0 H THR A 11 4.874 -4.957 -2.237 1.00 2.43 H new ATOM 0 HA THR A 11 5.544 -2.270 -3.239 1.00 24.23 H new ATOM 0 HB THR A 11 7.452 -4.612 -3.419 1.00 21.21 H new ATOM 0 HG1 THR A 11 8.507 -3.691 -1.539 1.00 75.43 H new ATOM 0 HG21 THR A 11 9.125 -2.817 -3.676 1.00 44.13 H new ATOM 0 HG22 THR A 11 7.843 -2.701 -4.904 1.00 44.13 H new ATOM 0 HG23 THR A 11 7.839 -1.600 -3.506 1.00 44.13 H new ATOM 167 N LEU A 12 4.953 -2.981 -5.539 1.00 34.13 N ATOM 168 CA LEU A 12 4.538 -3.367 -6.883 1.00 32.52 C ATOM 169 C LEU A 12 5.601 -2.993 -7.910 1.00 5.22 C ATOM 170 O LEU A 12 5.927 -1.819 -8.081 1.00 12.22 O ATOM 171 CB LEU A 12 3.209 -2.698 -7.240 1.00 65.21 C ATOM 172 CG LEU A 12 2.404 -3.360 -8.358 1.00 74.33 C ATOM 173 CD1 LEU A 12 2.158 -4.828 -8.043 1.00 4.44 C ATOM 174 CD2 LEU A 12 1.085 -2.631 -8.569 1.00 50.33 C ATOM 0 H LEU A 12 4.940 -1.976 -5.366 1.00 34.13 H new ATOM 0 HA LEU A 12 4.409 -4.449 -6.900 1.00 32.52 H new ATOM 0 HB2 LEU A 12 2.589 -2.665 -6.344 1.00 65.21 H new ATOM 0 HB3 LEU A 12 3.410 -1.666 -7.527 1.00 65.21 H new ATOM 0 HG LEU A 12 2.982 -3.299 -9.280 1.00 74.33 H new ATOM 0 HD11 LEU A 12 1.583 -5.282 -8.850 1.00 4.44 H new ATOM 0 HD12 LEU A 12 3.113 -5.344 -7.943 1.00 4.44 H new ATOM 0 HD13 LEU A 12 1.601 -4.911 -7.110 1.00 4.44 H new ATOM 0 HD21 LEU A 12 0.525 -3.116 -9.369 1.00 50.33 H new ATOM 0 HD22 LEU A 12 0.502 -2.660 -7.648 1.00 50.33 H new ATOM 0 HD23 LEU A 12 1.282 -1.594 -8.841 1.00 50.33 H new ATOM 186 N ASN A 13 6.138 -3.999 -8.592 1.00 61.14 N ATOM 187 CA ASN A 13 7.164 -3.775 -9.604 1.00 41.04 C ATOM 188 C ASN A 13 6.589 -3.940 -11.008 1.00 10.41 C ATOM 189 O ASN A 13 5.884 -4.907 -11.291 1.00 15.11 O ATOM 190 CB ASN A 13 8.330 -4.745 -9.402 1.00 1.31 C ATOM 191 CG ASN A 13 7.879 -6.192 -9.366 1.00 33.11 C ATOM 192 OD1 ASN A 13 7.542 -6.775 -10.397 1.00 1.32 O ATOM 193 ND2 ASN A 13 7.870 -6.779 -8.175 1.00 34.31 N ATOM 0 H ASN A 13 5.880 -4.977 -8.462 1.00 61.14 H new ATOM 0 HA ASN A 13 7.527 -2.753 -9.497 1.00 41.04 H new ATOM 0 HB2 ASN A 13 9.053 -4.613 -10.207 1.00 1.31 H new ATOM 0 HB3 ASN A 13 8.842 -4.504 -8.471 1.00 1.31 H new ATOM 0 HD21 ASN A 13 7.576 -7.752 -8.088 1.00 34.31 H new ATOM 0 HD22 ASN A 13 8.158 -6.257 -7.347 1.00 34.31 H new ATOM 200 N ASN A 14 6.897 -2.988 -11.883 1.00 13.20 N ATOM 201 CA ASN A 14 6.411 -3.027 -13.257 1.00 74.14 C ATOM 202 C ASN A 14 4.906 -3.276 -13.295 1.00 72.04 C ATOM 203 O ASN A 14 4.430 -4.277 -13.832 1.00 44.34 O ATOM 204 CB ASN A 14 7.139 -4.116 -14.047 1.00 61.41 C ATOM 205 CG ASN A 14 7.120 -3.858 -15.541 1.00 44.13 C ATOM 206 OD1 ASN A 14 7.044 -2.711 -15.983 1.00 70.42 O ATOM 207 ND2 ASN A 14 7.190 -4.926 -16.327 1.00 50.03 N ATOM 0 H ASN A 14 7.481 -2.181 -11.665 1.00 13.20 H new ATOM 0 HA ASN A 14 6.613 -2.059 -13.715 1.00 74.14 H new ATOM 0 HB2 ASN A 14 8.172 -4.180 -13.705 1.00 61.41 H new ATOM 0 HB3 ASN A 14 6.675 -5.081 -13.842 1.00 61.41 H new ATOM 0 HD21 ASN A 14 7.182 -4.814 -17.341 1.00 50.03 H new ATOM 0 HD22 ASN A 14 7.252 -5.858 -15.917 1.00 50.03 H new ATOM 214 N PRO A 15 4.137 -2.344 -12.713 1.00 21.25 N ATOM 215 CA PRO A 15 2.675 -2.439 -12.667 1.00 70.33 C ATOM 216 C PRO A 15 2.039 -2.246 -14.040 1.00 33.35 C ATOM 217 O PRO A 15 2.503 -1.435 -14.842 1.00 20.20 O ATOM 218 CB PRO A 15 2.274 -1.300 -11.727 1.00 43.30 C ATOM 219 CG PRO A 15 3.389 -0.316 -11.827 1.00 71.42 C ATOM 220 CD PRO A 15 4.636 -1.126 -12.053 1.00 40.42 C ATOM 0 HA PRO A 15 2.341 -3.422 -12.334 1.00 70.33 H new ATOM 0 HB2 PRO A 15 1.325 -0.855 -12.027 1.00 43.30 H new ATOM 0 HB3 PRO A 15 2.150 -1.656 -10.704 1.00 43.30 H new ATOM 0 HG2 PRO A 15 3.222 0.381 -12.648 1.00 71.42 H new ATOM 0 HG3 PRO A 15 3.469 0.278 -10.916 1.00 71.42 H new ATOM 0 HD2 PRO A 15 5.352 -0.594 -12.679 1.00 40.42 H new ATOM 0 HD3 PRO A 15 5.141 -1.356 -11.115 1.00 40.42 H new ATOM 228 N LEU A 16 0.974 -2.995 -14.303 1.00 71.43 N ATOM 229 CA LEU A 16 0.273 -2.906 -15.580 1.00 31.24 C ATOM 230 C LEU A 16 -0.727 -1.754 -15.572 1.00 71.43 C ATOM 231 O LEU A 16 -1.359 -1.461 -16.587 1.00 71.42 O ATOM 232 CB LEU A 16 -0.449 -4.221 -15.881 1.00 25.14 C ATOM 233 CG LEU A 16 -0.830 -4.458 -17.342 1.00 53.12 C ATOM 234 CD1 LEU A 16 0.219 -5.313 -18.036 1.00 74.10 C ATOM 235 CD2 LEU A 16 -2.201 -5.111 -17.436 1.00 73.42 C ATOM 0 H LEU A 16 0.577 -3.670 -13.650 1.00 71.43 H new ATOM 0 HA LEU A 16 1.011 -2.717 -16.360 1.00 31.24 H new ATOM 0 HB2 LEU A 16 0.186 -5.044 -15.554 1.00 25.14 H new ATOM 0 HB3 LEU A 16 -1.357 -4.260 -15.279 1.00 25.14 H new ATOM 0 HG LEU A 16 -0.874 -3.493 -17.847 1.00 53.12 H new ATOM 0 HD11 LEU A 16 -0.070 -5.471 -19.075 1.00 74.10 H new ATOM 0 HD12 LEU A 16 1.183 -4.806 -18.000 1.00 74.10 H new ATOM 0 HD13 LEU A 16 0.296 -6.276 -17.531 1.00 74.10 H new ATOM 0 HD21 LEU A 16 -2.456 -5.272 -18.483 1.00 73.42 H new ATOM 0 HD22 LEU A 16 -2.185 -6.068 -16.915 1.00 73.42 H new ATOM 0 HD23 LEU A 16 -2.946 -4.461 -16.977 1.00 73.42 H new ATOM 247 N SER A 17 -0.864 -1.103 -14.421 1.00 62.45 N ATOM 248 CA SER A 17 -1.788 0.016 -14.281 1.00 70.34 C ATOM 249 C SER A 17 -1.747 0.580 -12.865 1.00 4.43 C ATOM 250 O SER A 17 -1.302 -0.073 -11.921 1.00 65.31 O ATOM 251 CB SER A 17 -3.212 -0.425 -14.625 1.00 60.25 C ATOM 252 OG SER A 17 -3.991 -0.592 -13.454 1.00 14.22 O ATOM 0 H SER A 17 -0.347 -1.331 -13.572 1.00 62.45 H new ATOM 0 HA SER A 17 -1.480 0.799 -14.974 1.00 70.34 H new ATOM 0 HB2 SER A 17 -3.679 0.316 -15.273 1.00 60.25 H new ATOM 0 HB3 SER A 17 -3.181 -1.362 -15.182 1.00 60.25 H new ATOM 0 HG SER A 17 -4.897 -0.872 -13.701 1.00 14.22 H new ATOM 258 N PRO A 18 -2.222 1.825 -12.711 1.00 2.23 N ATOM 259 CA PRO A 18 -2.251 2.507 -11.413 1.00 71.51 C ATOM 260 C PRO A 18 -3.271 1.894 -10.460 1.00 33.14 C ATOM 261 O PRO A 18 -4.273 1.321 -10.890 1.00 61.33 O ATOM 262 CB PRO A 18 -2.650 3.940 -11.774 1.00 24.32 C ATOM 263 CG PRO A 18 -3.398 3.814 -13.056 1.00 23.40 C ATOM 264 CD PRO A 18 -2.768 2.663 -13.792 1.00 3.35 C ATOM 0 HA PRO A 18 -1.296 2.435 -10.893 1.00 71.51 H new ATOM 0 HB2 PRO A 18 -3.270 4.386 -10.996 1.00 24.32 H new ATOM 0 HB3 PRO A 18 -1.774 4.578 -11.888 1.00 24.32 H new ATOM 0 HG2 PRO A 18 -4.456 3.628 -12.874 1.00 23.40 H new ATOM 0 HG3 PRO A 18 -3.332 4.733 -13.638 1.00 23.40 H new ATOM 0 HD2 PRO A 18 -3.499 2.120 -14.391 1.00 3.35 H new ATOM 0 HD3 PRO A 18 -1.986 3.001 -14.473 1.00 3.35 H new ATOM 272 N LEU A 19 -3.012 2.019 -9.163 1.00 25.21 N ATOM 273 CA LEU A 19 -3.908 1.478 -8.147 1.00 72.54 C ATOM 274 C LEU A 19 -5.117 2.386 -7.949 1.00 33.25 C ATOM 275 O LEU A 19 -5.135 3.524 -8.416 1.00 43.24 O ATOM 276 CB LEU A 19 -3.164 1.303 -6.822 1.00 62.24 C ATOM 277 CG LEU A 19 -1.749 0.732 -6.918 1.00 5.01 C ATOM 278 CD1 LEU A 19 -1.003 0.931 -5.607 1.00 50.54 C ATOM 279 CD2 LEU A 19 -1.792 -0.743 -7.290 1.00 13.04 C ATOM 0 H LEU A 19 -2.188 2.491 -8.790 1.00 25.21 H new ATOM 0 HA LEU A 19 -4.260 0.505 -8.489 1.00 72.54 H new ATOM 0 HB2 LEU A 19 -3.110 2.273 -6.328 1.00 62.24 H new ATOM 0 HB3 LEU A 19 -3.755 0.650 -6.180 1.00 62.24 H new ATOM 0 HG LEU A 19 -1.215 1.268 -7.702 1.00 5.01 H new ATOM 0 HD11 LEU A 19 0.002 0.518 -5.694 1.00 50.54 H new ATOM 0 HD12 LEU A 19 -0.940 1.996 -5.382 1.00 50.54 H new ATOM 0 HD13 LEU A 19 -1.536 0.422 -4.804 1.00 50.54 H new ATOM 0 HD21 LEU A 19 -0.776 -1.132 -7.354 1.00 13.04 H new ATOM 0 HD22 LEU A 19 -2.345 -1.294 -6.529 1.00 13.04 H new ATOM 0 HD23 LEU A 19 -2.287 -0.861 -8.254 1.00 13.04 H new ATOM 291 N SER A 20 -6.126 1.875 -7.250 1.00 11.13 N ATOM 292 CA SER A 20 -7.340 2.640 -6.990 1.00 34.41 C ATOM 293 C SER A 20 -7.962 2.236 -5.656 1.00 62.34 C ATOM 294 O SER A 20 -7.680 1.160 -5.127 1.00 62.31 O ATOM 295 CB SER A 20 -8.351 2.432 -8.120 1.00 24.00 C ATOM 296 OG SER A 20 -8.648 1.057 -8.292 1.00 44.22 O ATOM 0 H SER A 20 -6.127 0.935 -6.854 1.00 11.13 H new ATOM 0 HA SER A 20 -7.071 3.695 -6.941 1.00 34.41 H new ATOM 0 HB2 SER A 20 -9.267 2.980 -7.898 1.00 24.00 H new ATOM 0 HB3 SER A 20 -7.952 2.840 -9.049 1.00 24.00 H new ATOM 0 HG SER A 20 -9.297 0.951 -9.018 1.00 44.22 H new ATOM 302 N LEU A 21 -8.809 3.106 -5.118 1.00 61.11 N ATOM 303 CA LEU A 21 -9.472 2.842 -3.846 1.00 21.52 C ATOM 304 C LEU A 21 -10.269 1.543 -3.907 1.00 31.43 C ATOM 305 O LEU A 21 -10.745 1.143 -4.970 1.00 65.11 O ATOM 306 CB LEU A 21 -10.396 4.004 -3.479 1.00 31.24 C ATOM 307 CG LEU A 21 -11.405 3.732 -2.362 1.00 2.21 C ATOM 308 CD1 LEU A 21 -10.697 3.606 -1.022 1.00 64.31 C ATOM 309 CD2 LEU A 21 -12.453 4.834 -2.311 1.00 75.21 C ATOM 0 H LEU A 21 -9.053 4.001 -5.543 1.00 61.11 H new ATOM 0 HA LEU A 21 -8.705 2.740 -3.079 1.00 21.52 H new ATOM 0 HB2 LEU A 21 -9.779 4.854 -3.185 1.00 31.24 H new ATOM 0 HB3 LEU A 21 -10.945 4.302 -4.372 1.00 31.24 H new ATOM 0 HG LEU A 21 -11.908 2.788 -2.574 1.00 2.21 H new ATOM 0 HD11 LEU A 21 -11.431 3.413 -0.240 1.00 64.31 H new ATOM 0 HD12 LEU A 21 -9.985 2.782 -1.063 1.00 64.31 H new ATOM 0 HD13 LEU A 21 -10.167 4.533 -0.802 1.00 64.31 H new ATOM 0 HD21 LEU A 21 -13.163 4.624 -1.511 1.00 75.21 H new ATOM 0 HD22 LEU A 21 -11.966 5.791 -2.123 1.00 75.21 H new ATOM 0 HD23 LEU A 21 -12.982 4.877 -3.263 1.00 75.21 H new ATOM 321 N HIS A 22 -10.413 0.888 -2.759 1.00 14.34 N ATOM 322 CA HIS A 22 -11.156 -0.365 -2.681 1.00 0.32 C ATOM 323 C HIS A 22 -12.388 -0.212 -1.794 1.00 51.11 C ATOM 324 O HIS A 22 -12.327 0.407 -0.732 1.00 13.14 O ATOM 325 CB HIS A 22 -10.260 -1.480 -2.141 1.00 72.23 C ATOM 326 CG HIS A 22 -10.760 -2.856 -2.458 1.00 52.12 C ATOM 327 ND1 HIS A 22 -10.732 -3.895 -1.552 1.00 4.54 N ATOM 328 CD2 HIS A 22 -11.305 -3.361 -3.589 1.00 55.05 C ATOM 329 CE1 HIS A 22 -11.236 -4.979 -2.112 1.00 61.30 C ATOM 330 NE2 HIS A 22 -11.592 -4.682 -3.349 1.00 32.23 N ATOM 0 H HIS A 22 -10.025 1.204 -1.870 1.00 14.34 H new ATOM 0 HA HIS A 22 -11.485 -0.627 -3.687 1.00 0.32 H new ATOM 0 HB2 HIS A 22 -9.258 -1.362 -2.554 1.00 72.23 H new ATOM 0 HB3 HIS A 22 -10.173 -1.374 -1.060 1.00 72.23 H new ATOM 0 HD2 HIS A 22 -11.481 -2.824 -4.510 1.00 55.05 H new ATOM 0 HE1 HIS A 22 -11.340 -5.944 -1.639 1.00 61.30 H new ATOM 0 HE2 HIS A 22 -12.012 -5.329 -4.017 1.00 32.23 H new ATOM 338 N ASP A 23 -13.504 -0.779 -2.238 1.00 54.21 N ATOM 339 CA ASP A 23 -14.751 -0.706 -1.485 1.00 0.11 C ATOM 340 C ASP A 23 -14.609 -1.395 -0.131 1.00 72.55 C ATOM 341 O ASP A 23 -15.348 -1.100 0.807 1.00 13.24 O ATOM 342 CB ASP A 23 -15.890 -1.345 -2.280 1.00 74.21 C ATOM 343 CG ASP A 23 -16.369 -0.464 -3.417 1.00 3.41 C ATOM 344 OD1 ASP A 23 -17.240 0.397 -3.173 1.00 43.34 O ATOM 345 OD2 ASP A 23 -15.873 -0.635 -4.550 1.00 62.24 O ATOM 0 H ASP A 23 -13.571 -1.294 -3.116 1.00 54.21 H new ATOM 0 HA ASP A 23 -14.983 0.345 -1.315 1.00 0.11 H new ATOM 0 HB2 ASP A 23 -15.556 -2.302 -2.682 1.00 74.21 H new ATOM 0 HB3 ASP A 23 -16.724 -1.554 -1.610 1.00 74.21 H new ATOM 350 N SER A 24 -13.655 -2.317 -0.039 1.00 54.44 N ATOM 351 CA SER A 24 -13.420 -3.052 1.198 1.00 62.04 C ATOM 352 C SER A 24 -12.501 -2.268 2.129 1.00 11.54 C ATOM 353 O SER A 24 -12.711 -2.234 3.342 1.00 63.14 O ATOM 354 CB SER A 24 -12.808 -4.421 0.893 1.00 11.13 C ATOM 355 OG SER A 24 -13.433 -5.021 -0.228 1.00 11.01 O ATOM 0 H SER A 24 -13.033 -2.572 -0.806 1.00 54.44 H new ATOM 0 HA SER A 24 -14.379 -3.193 1.697 1.00 62.04 H new ATOM 0 HB2 SER A 24 -11.740 -4.311 0.702 1.00 11.13 H new ATOM 0 HB3 SER A 24 -12.912 -5.071 1.762 1.00 11.13 H new ATOM 0 HG SER A 24 -13.138 -5.952 -0.307 1.00 11.01 H new ATOM 361 N MET A 25 -11.482 -1.638 1.553 1.00 15.34 N ATOM 362 CA MET A 25 -10.532 -0.852 2.332 1.00 64.25 C ATOM 363 C MET A 25 -11.167 0.448 2.815 1.00 71.43 C ATOM 364 O MET A 25 -12.356 0.686 2.601 1.00 1.45 O ATOM 365 CB MET A 25 -9.287 -0.545 1.497 1.00 61.54 C ATOM 366 CG MET A 25 -9.460 0.640 0.561 1.00 43.00 C ATOM 367 SD MET A 25 -7.902 1.183 -0.168 1.00 31.35 S ATOM 368 CE MET A 25 -7.460 -0.259 -1.135 1.00 15.51 C ATOM 0 H MET A 25 -11.293 -1.656 0.551 1.00 15.34 H new ATOM 0 HA MET A 25 -10.242 -1.439 3.203 1.00 64.25 H new ATOM 0 HB2 MET A 25 -8.450 -0.349 2.167 1.00 61.54 H new ATOM 0 HB3 MET A 25 -9.027 -1.426 0.910 1.00 61.54 H new ATOM 0 HG2 MET A 25 -10.155 0.371 -0.235 1.00 43.00 H new ATOM 0 HG3 MET A 25 -9.908 1.469 1.109 1.00 43.00 H new ATOM 0 HE1 MET A 25 -6.378 -0.294 -1.263 1.00 15.51 H new ATOM 0 HE2 MET A 25 -7.794 -1.159 -0.619 1.00 15.51 H new ATOM 0 HE3 MET A 25 -7.939 -0.202 -2.113 1.00 15.51 H new ATOM 378 N LYS A 26 -10.368 1.285 3.467 1.00 42.01 N ATOM 379 CA LYS A 26 -10.851 2.561 3.980 1.00 50.51 C ATOM 380 C LYS A 26 -10.009 3.716 3.447 1.00 41.12 C ATOM 381 O LYS A 26 -10.535 4.778 3.113 1.00 43.13 O ATOM 382 CB LYS A 26 -10.826 2.562 5.510 1.00 21.11 C ATOM 383 CG LYS A 26 -12.196 2.739 6.141 1.00 72.41 C ATOM 384 CD LYS A 26 -12.928 1.413 6.265 1.00 72.22 C ATOM 385 CE LYS A 26 -14.365 1.522 5.778 1.00 60.31 C ATOM 386 NZ LYS A 26 -15.258 2.113 6.813 1.00 41.15 N ATOM 0 H LYS A 26 -9.382 1.102 3.653 1.00 42.01 H new ATOM 0 HA LYS A 26 -11.878 2.695 3.639 1.00 50.51 H new ATOM 0 HB2 LYS A 26 -10.393 1.624 5.858 1.00 21.11 H new ATOM 0 HB3 LYS A 26 -10.171 3.362 5.854 1.00 21.11 H new ATOM 0 HG2 LYS A 26 -12.088 3.190 7.128 1.00 72.41 H new ATOM 0 HG3 LYS A 26 -12.789 3.428 5.539 1.00 72.41 H new ATOM 0 HD2 LYS A 26 -12.404 0.651 5.688 1.00 72.22 H new ATOM 0 HD3 LYS A 26 -12.919 1.087 7.305 1.00 72.22 H new ATOM 0 HE2 LYS A 26 -14.398 2.135 4.877 1.00 60.31 H new ATOM 0 HE3 LYS A 26 -14.732 0.533 5.504 1.00 60.31 H new ATOM 0 HZ1 LYS A 26 -16.228 2.170 6.443 1.00 41.15 H new ATOM 0 HZ2 LYS A 26 -15.247 1.515 7.664 1.00 41.15 H new ATOM 0 HZ3 LYS A 26 -14.923 3.067 7.056 1.00 41.15 H new ATOM 400 N TYR A 27 -8.700 3.501 3.369 1.00 54.05 N ATOM 401 CA TYR A 27 -7.786 4.524 2.876 1.00 3.34 C ATOM 402 C TYR A 27 -6.754 3.922 1.928 1.00 25.12 C ATOM 403 O TYR A 27 -6.351 2.768 2.081 1.00 74.40 O ATOM 404 CB TYR A 27 -7.080 5.212 4.046 1.00 1.31 C ATOM 405 CG TYR A 27 -6.710 6.652 3.768 1.00 30.21 C ATOM 406 CD1 TYR A 27 -7.690 7.627 3.630 1.00 72.14 C ATOM 407 CD2 TYR A 27 -5.381 7.037 3.643 1.00 60.41 C ATOM 408 CE1 TYR A 27 -7.357 8.943 3.375 1.00 52.32 C ATOM 409 CE2 TYR A 27 -5.039 8.351 3.390 1.00 63.23 C ATOM 410 CZ TYR A 27 -6.030 9.300 3.256 1.00 12.33 C ATOM 411 OH TYR A 27 -5.693 10.610 3.003 1.00 54.14 O ATOM 0 H TYR A 27 -8.249 2.628 3.641 1.00 54.05 H new ATOM 0 HA TYR A 27 -8.370 5.263 2.326 1.00 3.34 H new ATOM 0 HB2 TYR A 27 -7.727 5.175 4.922 1.00 1.31 H new ATOM 0 HB3 TYR A 27 -6.176 4.655 4.293 1.00 1.31 H new ATOM 0 HD1 TYR A 27 -8.730 7.351 3.724 1.00 72.14 H new ATOM 0 HD2 TYR A 27 -4.602 6.296 3.745 1.00 60.41 H new ATOM 0 HE1 TYR A 27 -8.131 9.688 3.269 1.00 52.32 H new ATOM 0 HE2 TYR A 27 -4.001 8.634 3.298 1.00 63.23 H new ATOM 0 HH TYR A 27 -5.347 11.023 3.822 1.00 54.14 H new ATOM 421 N LEU A 28 -6.328 4.712 0.949 1.00 61.24 N ATOM 422 CA LEU A 28 -5.341 4.259 -0.026 1.00 35.41 C ATOM 423 C LEU A 28 -4.149 5.209 -0.076 1.00 74.13 C ATOM 424 O LEU A 28 -4.311 6.415 -0.261 1.00 10.21 O ATOM 425 CB LEU A 28 -5.979 4.147 -1.412 1.00 43.51 C ATOM 426 CG LEU A 28 -5.039 3.757 -2.553 1.00 70.33 C ATOM 427 CD1 LEU A 28 -4.257 2.503 -2.195 1.00 61.42 C ATOM 428 CD2 LEU A 28 -5.822 3.550 -3.842 1.00 31.44 C ATOM 0 H LEU A 28 -6.650 5.670 0.809 1.00 61.24 H new ATOM 0 HA LEU A 28 -4.985 3.276 0.283 1.00 35.41 H new ATOM 0 HB2 LEU A 28 -6.782 3.412 -1.362 1.00 43.51 H new ATOM 0 HB3 LEU A 28 -6.438 5.105 -1.657 1.00 43.51 H new ATOM 0 HG LEU A 28 -4.330 4.570 -2.709 1.00 70.33 H new ATOM 0 HD11 LEU A 28 -3.593 2.241 -3.019 1.00 61.42 H new ATOM 0 HD12 LEU A 28 -3.666 2.686 -1.297 1.00 61.42 H new ATOM 0 HD13 LEU A 28 -4.950 1.682 -2.012 1.00 61.42 H new ATOM 0 HD21 LEU A 28 -5.137 3.273 -4.643 1.00 31.44 H new ATOM 0 HD22 LEU A 28 -6.554 2.755 -3.699 1.00 31.44 H new ATOM 0 HD23 LEU A 28 -6.336 4.474 -4.108 1.00 31.44 H new ATOM 440 N VAL A 29 -2.951 4.656 0.087 1.00 54.40 N ATOM 441 CA VAL A 29 -1.731 5.454 0.057 1.00 72.03 C ATOM 442 C VAL A 29 -0.623 4.734 -0.703 1.00 24.34 C ATOM 443 O VAL A 29 -0.222 3.629 -0.337 1.00 22.45 O ATOM 444 CB VAL A 29 -1.237 5.778 1.479 1.00 12.30 C ATOM 445 CG1 VAL A 29 0.082 6.533 1.427 1.00 1.50 C ATOM 446 CG2 VAL A 29 -2.287 6.575 2.239 1.00 74.24 C ATOM 0 H VAL A 29 -2.799 3.659 0.241 1.00 54.40 H new ATOM 0 HA VAL A 29 -1.974 6.385 -0.455 1.00 72.03 H new ATOM 0 HB VAL A 29 -1.071 4.840 2.009 1.00 12.30 H new ATOM 0 HG11 VAL A 29 0.415 6.753 2.441 1.00 1.50 H new ATOM 0 HG12 VAL A 29 0.831 5.922 0.923 1.00 1.50 H new ATOM 0 HG13 VAL A 29 -0.054 7.466 0.879 1.00 1.50 H new ATOM 0 HG21 VAL A 29 -1.921 6.795 3.242 1.00 74.24 H new ATOM 0 HG22 VAL A 29 -2.487 7.508 1.713 1.00 74.24 H new ATOM 0 HG23 VAL A 29 -3.206 5.993 2.308 1.00 74.24 H new ATOM 456 N TYR A 30 -0.131 5.367 -1.762 1.00 3.15 N ATOM 457 CA TYR A 30 0.931 4.786 -2.574 1.00 42.05 C ATOM 458 C TYR A 30 1.732 5.874 -3.283 1.00 4.13 C ATOM 459 O TYR A 30 1.254 6.994 -3.462 1.00 64.10 O ATOM 460 CB TYR A 30 0.343 3.819 -3.603 1.00 62.32 C ATOM 461 CG TYR A 30 -0.150 4.498 -4.860 1.00 53.35 C ATOM 462 CD1 TYR A 30 0.700 4.709 -5.939 1.00 1.30 C ATOM 463 CD2 TYR A 30 -1.466 4.930 -4.970 1.00 13.22 C ATOM 464 CE1 TYR A 30 0.254 5.330 -7.090 1.00 11.45 C ATOM 465 CE2 TYR A 30 -1.921 5.551 -6.117 1.00 35.31 C ATOM 466 CZ TYR A 30 -1.058 5.749 -7.174 1.00 23.22 C ATOM 467 OH TYR A 30 -1.507 6.368 -8.318 1.00 21.13 O ATOM 0 H TYR A 30 -0.451 6.283 -2.078 1.00 3.15 H new ATOM 0 HA TYR A 30 1.602 4.239 -1.912 1.00 42.05 H new ATOM 0 HB2 TYR A 30 1.101 3.083 -3.871 1.00 62.32 H new ATOM 0 HB3 TYR A 30 -0.483 3.274 -3.146 1.00 62.32 H new ATOM 0 HD1 TYR A 30 1.727 4.382 -5.877 1.00 1.30 H new ATOM 0 HD2 TYR A 30 -2.145 4.778 -4.144 1.00 13.22 H new ATOM 0 HE1 TYR A 30 0.928 5.486 -7.919 1.00 11.45 H new ATOM 0 HE2 TYR A 30 -2.947 5.880 -6.185 1.00 35.31 H new ATOM 0 HH TYR A 30 -2.454 6.599 -8.215 1.00 21.13 H new ATOM 477 N GLN A 31 2.953 5.535 -3.683 1.00 65.22 N ATOM 478 CA GLN A 31 3.822 6.482 -4.372 1.00 12.20 C ATOM 479 C GLN A 31 4.618 5.790 -5.473 1.00 25.43 C ATOM 480 O GLN A 31 4.858 4.583 -5.416 1.00 73.20 O ATOM 481 CB GLN A 31 4.775 7.148 -3.378 1.00 41.22 C ATOM 482 CG GLN A 31 5.915 6.247 -2.932 1.00 4.52 C ATOM 483 CD GLN A 31 7.033 7.014 -2.252 1.00 71.02 C ATOM 484 OE1 GLN A 31 8.213 6.764 -2.500 1.00 32.21 O ATOM 485 NE2 GLN A 31 6.666 7.955 -1.389 1.00 65.54 N ATOM 0 H GLN A 31 3.363 4.612 -3.542 1.00 65.22 H new ATOM 0 HA GLN A 31 3.194 7.246 -4.830 1.00 12.20 H new ATOM 0 HB2 GLN A 31 5.190 8.048 -3.832 1.00 41.22 H new ATOM 0 HB3 GLN A 31 4.209 7.465 -2.502 1.00 41.22 H new ATOM 0 HG2 GLN A 31 5.529 5.491 -2.248 1.00 4.52 H new ATOM 0 HG3 GLN A 31 6.316 5.719 -3.797 1.00 4.52 H new ATOM 0 HE21 GLN A 31 5.676 8.128 -1.214 1.00 65.54 H new ATOM 0 HE22 GLN A 31 7.374 8.504 -0.901 1.00 65.54 H new ATOM 494 N THR A 32 5.027 6.561 -6.475 1.00 63.15 N ATOM 495 CA THR A 32 5.796 6.022 -7.590 1.00 74.33 C ATOM 496 C THR A 32 7.292 6.212 -7.370 1.00 31.21 C ATOM 497 O THR A 32 7.776 7.339 -7.280 1.00 45.35 O ATOM 498 CB THR A 32 5.396 6.686 -8.921 1.00 71.14 C ATOM 499 OG1 THR A 32 4.027 6.394 -9.223 1.00 12.02 O ATOM 500 CG2 THR A 32 6.285 6.201 -10.057 1.00 31.14 C ATOM 0 H THR A 32 4.839 7.561 -6.538 1.00 63.15 H new ATOM 0 HA THR A 32 5.572 4.956 -7.642 1.00 74.33 H new ATOM 0 HB THR A 32 5.523 7.763 -8.816 1.00 71.14 H new ATOM 0 HG1 THR A 32 3.838 5.456 -9.012 1.00 12.02 H new ATOM 0 HG21 THR A 32 5.983 6.684 -10.987 1.00 31.14 H new ATOM 0 HG22 THR A 32 7.323 6.451 -9.839 1.00 31.14 H new ATOM 0 HG23 THR A 32 6.186 5.120 -10.161 1.00 31.14 H new ATOM 508 N GLU A 33 8.019 5.102 -7.284 1.00 34.12 N ATOM 509 CA GLU A 33 9.461 5.148 -7.074 1.00 12.33 C ATOM 510 C GLU A 33 10.208 4.716 -8.332 1.00 41.52 C ATOM 511 O GLU A 33 9.632 4.098 -9.226 1.00 74.04 O ATOM 512 CB GLU A 33 9.857 4.251 -5.899 1.00 54.02 C ATOM 513 CG GLU A 33 9.816 4.956 -4.554 1.00 10.21 C ATOM 514 CD GLU A 33 10.680 4.274 -3.511 1.00 62.13 C ATOM 515 OE1 GLU A 33 10.998 3.080 -3.692 1.00 43.14 O ATOM 516 OE2 GLU A 33 11.039 4.935 -2.514 1.00 74.20 O ATOM 0 H GLU A 33 7.633 4.161 -7.357 1.00 34.12 H new ATOM 0 HA GLU A 33 9.736 6.177 -6.844 1.00 12.33 H new ATOM 0 HB2 GLU A 33 9.189 3.390 -5.869 1.00 54.02 H new ATOM 0 HB3 GLU A 33 10.863 3.868 -6.068 1.00 54.02 H new ATOM 0 HG2 GLU A 33 10.148 5.987 -4.678 1.00 10.21 H new ATOM 0 HG3 GLU A 33 8.786 4.994 -4.199 1.00 10.21 H new ATOM 523 N GLN A 34 11.494 5.048 -8.393 1.00 13.10 N ATOM 524 CA GLN A 34 12.319 4.696 -9.542 1.00 25.21 C ATOM 525 C GLN A 34 12.890 3.289 -9.392 1.00 14.23 C ATOM 526 O GLN A 34 13.501 2.962 -8.376 1.00 25.21 O ATOM 527 CB GLN A 34 13.457 5.705 -9.708 1.00 20.13 C ATOM 528 CG GLN A 34 13.540 6.305 -11.102 1.00 71.42 C ATOM 529 CD GLN A 34 14.938 6.238 -11.684 1.00 3.12 C ATOM 530 OE1 GLN A 34 15.928 6.220 -10.951 1.00 73.30 O ATOM 531 NE2 GLN A 34 15.028 6.201 -13.008 1.00 52.42 N ATOM 0 H GLN A 34 11.986 5.560 -7.661 1.00 13.10 H new ATOM 0 HA GLN A 34 11.688 4.720 -10.431 1.00 25.21 H new ATOM 0 HB2 GLN A 34 13.328 6.508 -8.983 1.00 20.13 H new ATOM 0 HB3 GLN A 34 14.403 5.215 -9.476 1.00 20.13 H new ATOM 0 HG2 GLN A 34 12.850 5.778 -11.762 1.00 71.42 H new ATOM 0 HG3 GLN A 34 13.215 7.345 -11.066 1.00 71.42 H new ATOM 0 HE21 GLN A 34 14.182 6.218 -13.577 1.00 52.42 H new ATOM 0 HE22 GLN A 34 15.943 6.156 -13.456 1.00 52.42 H new ATOM 540 N GLY A 35 12.684 2.460 -10.411 1.00 11.41 N ATOM 541 CA GLY A 35 13.183 1.098 -10.372 1.00 1.32 C ATOM 542 C GLY A 35 13.753 0.651 -11.704 1.00 15.05 C ATOM 543 O GLY A 35 14.569 1.350 -12.303 1.00 13.45 O ATOM 0 H GLY A 35 12.180 2.708 -11.263 1.00 11.41 H new ATOM 0 HA2 GLY A 35 13.954 1.019 -9.605 1.00 1.32 H new ATOM 0 HA3 GLY A 35 12.375 0.426 -10.082 1.00 1.32 H new ATOM 547 N GLU A 36 13.322 -0.518 -12.167 1.00 22.44 N ATOM 548 CA GLU A 36 13.797 -1.058 -13.435 1.00 63.41 C ATOM 549 C GLU A 36 13.825 0.024 -14.511 1.00 22.43 C ATOM 550 O GLU A 36 12.815 0.673 -14.780 1.00 31.35 O ATOM 551 CB GLU A 36 12.907 -2.219 -13.886 1.00 44.53 C ATOM 552 CG GLU A 36 11.426 -1.979 -13.646 1.00 43.52 C ATOM 553 CD GLU A 36 10.559 -3.101 -14.181 1.00 61.53 C ATOM 554 OE1 GLU A 36 10.774 -4.263 -13.775 1.00 52.44 O ATOM 555 OE2 GLU A 36 9.665 -2.818 -15.006 1.00 62.22 O ATOM 0 H GLU A 36 12.645 -1.109 -11.683 1.00 22.44 H new ATOM 0 HA GLU A 36 14.813 -1.425 -13.287 1.00 63.41 H new ATOM 0 HB2 GLU A 36 13.070 -2.399 -14.949 1.00 44.53 H new ATOM 0 HB3 GLU A 36 13.210 -3.124 -13.359 1.00 44.53 H new ATOM 0 HG2 GLU A 36 11.249 -1.866 -12.576 1.00 43.52 H new ATOM 0 HG3 GLU A 36 11.133 -1.041 -14.118 1.00 43.52 H new ATOM 562 N ALA A 37 14.990 0.212 -15.122 1.00 62.01 N ATOM 563 CA ALA A 37 15.150 1.213 -16.169 1.00 43.41 C ATOM 564 C ALA A 37 14.026 1.119 -17.195 1.00 44.24 C ATOM 565 O ALA A 37 13.739 0.044 -17.719 1.00 23.40 O ATOM 566 CB ALA A 37 16.503 1.055 -16.848 1.00 54.23 C ATOM 0 H ALA A 37 15.837 -0.316 -14.910 1.00 62.01 H new ATOM 0 HA ALA A 37 15.101 2.199 -15.706 1.00 43.41 H new ATOM 0 HB1 ALA A 37 16.609 1.809 -17.628 1.00 54.23 H new ATOM 0 HB2 ALA A 37 17.297 1.181 -16.111 1.00 54.23 H new ATOM 0 HB3 ALA A 37 16.574 0.062 -17.292 1.00 54.23 H new ATOM 572 N GLY A 38 13.393 2.253 -17.478 1.00 55.31 N ATOM 573 CA GLY A 38 12.306 2.276 -18.440 1.00 43.13 C ATOM 574 C GLY A 38 10.944 2.214 -17.778 1.00 41.13 C ATOM 575 O GLY A 38 9.975 2.780 -18.283 1.00 23.11 O ATOM 0 H GLY A 38 13.613 3.156 -17.059 1.00 55.31 H new ATOM 0 HA2 GLY A 38 12.374 3.184 -19.039 1.00 43.13 H new ATOM 0 HA3 GLY A 38 12.413 1.434 -19.124 1.00 43.13 H new ATOM 579 N ASN A 39 10.869 1.523 -16.645 1.00 43.15 N ATOM 580 CA ASN A 39 9.615 1.387 -15.915 1.00 15.14 C ATOM 581 C ASN A 39 9.771 1.859 -14.472 1.00 42.24 C ATOM 582 O ASN A 39 10.869 2.213 -14.040 1.00 73.22 O ATOM 583 CB ASN A 39 9.142 -0.068 -15.938 1.00 54.13 C ATOM 584 CG ASN A 39 9.740 -0.852 -17.091 1.00 13.44 C ATOM 585 OD1 ASN A 39 9.106 -1.027 -18.131 1.00 62.15 O ATOM 586 ND2 ASN A 39 10.966 -1.327 -16.909 1.00 21.31 N ATOM 0 H ASN A 39 11.662 1.049 -16.213 1.00 43.15 H new ATOM 0 HA ASN A 39 8.869 2.013 -16.405 1.00 15.14 H new ATOM 0 HB2 ASN A 39 9.410 -0.549 -14.997 1.00 54.13 H new ATOM 0 HB3 ASN A 39 8.055 -0.093 -16.011 1.00 54.13 H new ATOM 0 HD21 ASN A 39 11.421 -1.862 -17.649 1.00 21.31 H new ATOM 0 HD22 ASN A 39 11.453 -1.157 -16.029 1.00 21.31 H new ATOM 593 N ILE A 40 8.667 1.862 -13.733 1.00 60.52 N ATOM 594 CA ILE A 40 8.682 2.288 -12.340 1.00 2.44 C ATOM 595 C ILE A 40 7.884 1.330 -11.462 1.00 61.13 C ATOM 596 O ILE A 40 7.134 0.492 -11.963 1.00 72.50 O ATOM 597 CB ILE A 40 8.110 3.710 -12.180 1.00 24.51 C ATOM 598 CG1 ILE A 40 7.165 4.035 -13.338 1.00 13.43 C ATOM 599 CG2 ILE A 40 9.238 4.729 -12.106 1.00 74.35 C ATOM 600 CD1 ILE A 40 6.460 5.365 -13.186 1.00 52.21 C ATOM 0 H ILE A 40 7.751 1.574 -14.076 1.00 60.52 H new ATOM 0 HA ILE A 40 9.724 2.286 -12.021 1.00 2.44 H new ATOM 0 HB ILE A 40 7.544 3.757 -11.250 1.00 24.51 H new ATOM 0 HG12 ILE A 40 7.731 4.037 -14.269 1.00 13.43 H new ATOM 0 HG13 ILE A 40 6.419 3.245 -13.421 1.00 13.43 H new ATOM 0 HG21 ILE A 40 8.818 5.729 -11.993 1.00 74.35 H new ATOM 0 HG22 ILE A 40 9.876 4.504 -11.251 1.00 74.35 H new ATOM 0 HG23 ILE A 40 9.829 4.685 -13.021 1.00 74.35 H new ATOM 0 HD11 ILE A 40 5.806 5.530 -14.042 1.00 52.21 H new ATOM 0 HD12 ILE A 40 5.866 5.360 -12.272 1.00 52.21 H new ATOM 0 HD13 ILE A 40 7.199 6.165 -13.134 1.00 52.21 H new ATOM 612 N HIS A 41 8.049 1.460 -10.150 1.00 5.51 N ATOM 613 CA HIS A 41 7.342 0.607 -9.202 1.00 3.25 C ATOM 614 C HIS A 41 6.559 1.445 -8.196 1.00 12.50 C ATOM 615 O HIS A 41 6.877 2.612 -7.963 1.00 21.32 O ATOM 616 CB HIS A 41 8.329 -0.301 -8.467 1.00 35.40 C ATOM 617 CG HIS A 41 9.590 0.393 -8.055 1.00 30.11 C ATOM 618 ND1 HIS A 41 10.811 -0.244 -7.984 1.00 51.10 N ATOM 619 CD2 HIS A 41 9.816 1.677 -7.692 1.00 54.32 C ATOM 620 CE1 HIS A 41 11.733 0.618 -7.594 1.00 13.21 C ATOM 621 NE2 HIS A 41 11.155 1.792 -7.411 1.00 32.44 N ATOM 0 H HIS A 41 8.666 2.148 -9.719 1.00 5.51 H new ATOM 0 HA HIS A 41 6.638 -0.010 -9.761 1.00 3.25 H new ATOM 0 HB2 HIS A 41 7.843 -0.710 -7.581 1.00 35.40 H new ATOM 0 HB3 HIS A 41 8.582 -1.144 -9.110 1.00 35.40 H new ATOM 0 HD1 HIS A 41 10.976 -1.227 -8.199 1.00 51.10 H new ATOM 0 HD2 HIS A 41 9.080 2.465 -7.634 1.00 54.32 H new ATOM 0 HE1 HIS A 41 12.781 0.400 -7.449 1.00 13.21 H new ATOM 629 N PHE A 42 5.532 0.844 -7.604 1.00 24.12 N ATOM 630 CA PHE A 42 4.702 1.536 -6.625 1.00 21.54 C ATOM 631 C PHE A 42 5.008 1.049 -5.211 1.00 62.32 C ATOM 632 O PHE A 42 5.263 -0.136 -4.994 1.00 12.52 O ATOM 633 CB PHE A 42 3.220 1.322 -6.940 1.00 1.42 C ATOM 634 CG PHE A 42 2.803 1.884 -8.269 1.00 21.00 C ATOM 635 CD1 PHE A 42 3.381 3.045 -8.758 1.00 32.34 C ATOM 636 CD2 PHE A 42 1.833 1.251 -9.030 1.00 1.34 C ATOM 637 CE1 PHE A 42 3.000 3.564 -9.981 1.00 33.04 C ATOM 638 CE2 PHE A 42 1.448 1.766 -10.253 1.00 63.44 C ATOM 639 CZ PHE A 42 2.031 2.924 -10.729 1.00 23.11 C ATOM 0 H PHE A 42 5.255 -0.121 -7.785 1.00 24.12 H new ATOM 0 HA PHE A 42 4.929 2.601 -6.681 1.00 21.54 H new ATOM 0 HB2 PHE A 42 3.003 0.254 -6.922 1.00 1.42 H new ATOM 0 HB3 PHE A 42 2.620 1.782 -6.155 1.00 1.42 H new ATOM 0 HD1 PHE A 42 4.138 3.550 -8.176 1.00 32.34 H new ATOM 0 HD2 PHE A 42 1.373 0.345 -8.663 1.00 1.34 H new ATOM 0 HE1 PHE A 42 3.459 4.469 -10.351 1.00 33.04 H new ATOM 0 HE2 PHE A 42 0.691 1.263 -10.837 1.00 63.44 H new ATOM 0 HZ PHE A 42 1.730 3.328 -11.684 1.00 23.11 H new ATOM 649 N GLN A 43 4.982 1.972 -4.255 1.00 73.42 N ATOM 650 CA GLN A 43 5.257 1.637 -2.863 1.00 63.21 C ATOM 651 C GLN A 43 4.406 2.482 -1.921 1.00 43.11 C ATOM 652 O GLN A 43 4.216 3.677 -2.144 1.00 23.03 O ATOM 653 CB GLN A 43 6.741 1.842 -2.551 1.00 72.44 C ATOM 654 CG GLN A 43 7.567 0.571 -2.663 1.00 62.45 C ATOM 655 CD GLN A 43 8.321 0.478 -3.975 1.00 41.45 C ATOM 656 OE1 GLN A 43 7.784 0.796 -5.037 1.00 70.10 O ATOM 657 NE2 GLN A 43 9.574 0.042 -3.909 1.00 54.34 N ATOM 0 H GLN A 43 4.773 2.957 -4.419 1.00 73.42 H new ATOM 0 HA GLN A 43 5.002 0.588 -2.711 1.00 63.21 H new ATOM 0 HB2 GLN A 43 7.147 2.590 -3.232 1.00 72.44 H new ATOM 0 HB3 GLN A 43 6.840 2.242 -1.542 1.00 72.44 H new ATOM 0 HG2 GLN A 43 8.277 0.530 -1.837 1.00 62.45 H new ATOM 0 HG3 GLN A 43 6.911 -0.294 -2.563 1.00 62.45 H new ATOM 0 HE21 GLN A 43 9.979 -0.211 -3.008 1.00 54.34 H new ATOM 0 HE22 GLN A 43 10.131 -0.040 -4.760 1.00 54.34 H new ATOM 666 N GLY A 44 3.895 1.853 -0.867 1.00 64.52 N ATOM 667 CA GLY A 44 3.070 2.562 0.092 1.00 11.24 C ATOM 668 C GLY A 44 2.368 1.627 1.057 1.00 72.01 C ATOM 669 O GLY A 44 2.676 0.436 1.114 1.00 45.43 O ATOM 0 H GLY A 44 4.038 0.864 -0.661 1.00 64.52 H new ATOM 0 HA2 GLY A 44 3.690 3.260 0.654 1.00 11.24 H new ATOM 0 HA3 GLY A 44 2.326 3.154 -0.441 1.00 11.24 H new ATOM 673 N TYR A 45 1.422 2.166 1.818 1.00 23.04 N ATOM 674 CA TYR A 45 0.677 1.372 2.788 1.00 3.24 C ATOM 675 C TYR A 45 -0.823 1.460 2.527 1.00 71.12 C ATOM 676 O TYR A 45 -1.349 2.530 2.217 1.00 21.43 O ATOM 677 CB TYR A 45 0.987 1.844 4.210 1.00 12.11 C ATOM 678 CG TYR A 45 0.996 3.349 4.360 1.00 20.43 C ATOM 679 CD1 TYR A 45 -0.172 4.045 4.648 1.00 24.44 C ATOM 680 CD2 TYR A 45 2.172 4.074 4.213 1.00 14.21 C ATOM 681 CE1 TYR A 45 -0.168 5.419 4.786 1.00 54.32 C ATOM 682 CE2 TYR A 45 2.185 5.449 4.350 1.00 34.32 C ATOM 683 CZ TYR A 45 1.012 6.117 4.636 1.00 22.33 C ATOM 684 OH TYR A 45 1.021 7.486 4.772 1.00 13.02 O ATOM 0 H TYR A 45 1.153 3.149 1.782 1.00 23.04 H new ATOM 0 HA TYR A 45 0.985 0.332 2.682 1.00 3.24 H new ATOM 0 HB2 TYR A 45 0.248 1.424 4.893 1.00 12.11 H new ATOM 0 HB3 TYR A 45 1.958 1.451 4.510 1.00 12.11 H new ATOM 0 HD1 TYR A 45 -1.098 3.502 4.766 1.00 24.44 H new ATOM 0 HD2 TYR A 45 3.092 3.554 3.988 1.00 14.21 H new ATOM 0 HE1 TYR A 45 -1.084 5.944 5.010 1.00 54.32 H new ATOM 0 HE2 TYR A 45 3.108 5.998 4.234 1.00 34.32 H new ATOM 0 HH TYR A 45 1.932 7.822 4.637 1.00 13.02 H new ATOM 694 N ILE A 46 -1.506 0.327 2.654 1.00 13.40 N ATOM 695 CA ILE A 46 -2.946 0.276 2.433 1.00 32.45 C ATOM 696 C ILE A 46 -3.665 -0.332 3.634 1.00 43.34 C ATOM 697 O ILE A 46 -3.318 -1.420 4.090 1.00 33.45 O ATOM 698 CB ILE A 46 -3.294 -0.540 1.174 1.00 22.44 C ATOM 699 CG1 ILE A 46 -2.553 0.018 -0.042 1.00 72.04 C ATOM 700 CG2 ILE A 46 -4.796 -0.533 0.936 1.00 14.53 C ATOM 701 CD1 ILE A 46 -2.625 -0.879 -1.258 1.00 33.51 C ATOM 0 H ILE A 46 -1.086 -0.567 2.908 1.00 13.40 H new ATOM 0 HA ILE A 46 -3.281 1.304 2.294 1.00 32.45 H new ATOM 0 HB ILE A 46 -2.976 -1.571 1.328 1.00 22.44 H new ATOM 0 HG12 ILE A 46 -2.969 0.993 -0.295 1.00 72.04 H new ATOM 0 HG13 ILE A 46 -1.507 0.176 0.221 1.00 72.04 H new ATOM 0 HG21 ILE A 46 -5.026 -1.114 0.043 1.00 14.53 H new ATOM 0 HG22 ILE A 46 -5.303 -0.973 1.795 1.00 14.53 H new ATOM 0 HG23 ILE A 46 -5.138 0.493 0.799 1.00 14.53 H new ATOM 0 HD11 ILE A 46 -2.078 -0.420 -2.082 1.00 33.51 H new ATOM 0 HD12 ILE A 46 -2.182 -1.847 -1.023 1.00 33.51 H new ATOM 0 HD13 ILE A 46 -3.667 -1.017 -1.547 1.00 33.51 H new ATOM 713 N GLU A 47 -4.668 0.380 4.138 1.00 30.30 N ATOM 714 CA GLU A 47 -5.436 -0.091 5.285 1.00 52.52 C ATOM 715 C GLU A 47 -6.785 -0.650 4.843 1.00 35.13 C ATOM 716 O GLU A 47 -7.601 0.059 4.255 1.00 0.42 O ATOM 717 CB GLU A 47 -5.646 1.046 6.287 1.00 55.51 C ATOM 718 CG GLU A 47 -4.353 1.694 6.752 1.00 14.45 C ATOM 719 CD GLU A 47 -4.533 3.153 7.126 1.00 32.01 C ATOM 720 OE1 GLU A 47 -5.155 3.425 8.174 1.00 55.32 O ATOM 721 OE2 GLU A 47 -4.051 4.022 6.370 1.00 41.21 O ATOM 0 H GLU A 47 -4.967 1.283 3.771 1.00 30.30 H new ATOM 0 HA GLU A 47 -4.871 -0.890 5.766 1.00 52.52 H new ATOM 0 HB2 GLU A 47 -6.281 1.807 5.833 1.00 55.51 H new ATOM 0 HB3 GLU A 47 -6.182 0.660 7.154 1.00 55.51 H new ATOM 0 HG2 GLU A 47 -3.966 1.147 7.612 1.00 14.45 H new ATOM 0 HG3 GLU A 47 -3.607 1.615 5.962 1.00 14.45 H new ATOM 728 N MET A 48 -7.012 -1.928 5.131 1.00 14.42 N ATOM 729 CA MET A 48 -8.263 -2.583 4.765 1.00 44.35 C ATOM 730 C MET A 48 -9.365 -2.248 5.764 1.00 54.43 C ATOM 731 O MET A 48 -9.146 -1.503 6.720 1.00 72.24 O ATOM 732 CB MET A 48 -8.067 -4.098 4.692 1.00 20.44 C ATOM 733 CG MET A 48 -7.213 -4.546 3.517 1.00 3.43 C ATOM 734 SD MET A 48 -8.175 -5.366 2.232 1.00 43.45 S ATOM 735 CE MET A 48 -8.738 -3.957 1.280 1.00 51.31 C ATOM 0 H MET A 48 -6.347 -2.530 5.616 1.00 14.42 H new ATOM 0 HA MET A 48 -8.564 -2.215 3.784 1.00 44.35 H new ATOM 0 HB2 MET A 48 -7.605 -4.441 5.618 1.00 20.44 H new ATOM 0 HB3 MET A 48 -9.043 -4.579 4.625 1.00 20.44 H new ATOM 0 HG2 MET A 48 -6.707 -3.680 3.090 1.00 3.43 H new ATOM 0 HG3 MET A 48 -6.438 -5.224 3.874 1.00 3.43 H new ATOM 0 HE1 MET A 48 -8.610 -4.161 0.217 1.00 51.31 H new ATOM 0 HE2 MET A 48 -9.792 -3.774 1.490 1.00 51.31 H new ATOM 0 HE3 MET A 48 -8.156 -3.077 1.553 1.00 51.31 H new ATOM 745 N LYS A 49 -10.552 -2.801 5.537 1.00 64.44 N ATOM 746 CA LYS A 49 -11.689 -2.563 6.417 1.00 52.41 C ATOM 747 C LYS A 49 -11.333 -2.882 7.865 1.00 22.12 C ATOM 748 O LYS A 49 -11.403 -2.017 8.738 1.00 2.23 O ATOM 749 CB LYS A 49 -12.887 -3.407 5.977 1.00 60.40 C ATOM 750 CG LYS A 49 -14.187 -2.626 5.900 1.00 11.04 C ATOM 751 CD LYS A 49 -15.171 -3.274 4.941 1.00 53.31 C ATOM 752 CE LYS A 49 -15.655 -4.618 5.462 1.00 64.52 C ATOM 753 NZ LYS A 49 -16.694 -4.464 6.517 1.00 50.41 N ATOM 0 H LYS A 49 -10.751 -3.418 4.750 1.00 64.44 H new ATOM 0 HA LYS A 49 -11.953 -1.507 6.351 1.00 52.41 H new ATOM 0 HB2 LYS A 49 -12.675 -3.841 5.000 1.00 60.40 H new ATOM 0 HB3 LYS A 49 -13.012 -4.236 6.674 1.00 60.40 H new ATOM 0 HG2 LYS A 49 -14.633 -2.562 6.892 1.00 11.04 H new ATOM 0 HG3 LYS A 49 -13.981 -1.606 5.577 1.00 11.04 H new ATOM 0 HD2 LYS A 49 -16.024 -2.612 4.791 1.00 53.31 H new ATOM 0 HD3 LYS A 49 -14.698 -3.409 3.968 1.00 53.31 H new ATOM 0 HE2 LYS A 49 -16.060 -5.203 4.636 1.00 64.52 H new ATOM 0 HE3 LYS A 49 -14.810 -5.177 5.864 1.00 64.52 H new ATOM 0 HZ1 LYS A 49 -16.997 -5.403 6.845 1.00 50.41 H new ATOM 0 HZ2 LYS A 49 -16.300 -3.928 7.317 1.00 50.41 H new ATOM 0 HZ3 LYS A 49 -17.512 -3.953 6.127 1.00 50.41 H new ATOM 767 N LYS A 50 -10.949 -4.130 8.114 1.00 50.31 N ATOM 768 CA LYS A 50 -10.579 -4.564 9.456 1.00 45.33 C ATOM 769 C LYS A 50 -10.185 -6.037 9.462 1.00 73.44 C ATOM 770 O LYS A 50 -9.005 -6.374 9.556 1.00 61.12 O ATOM 771 CB LYS A 50 -11.737 -4.330 10.428 1.00 73.13 C ATOM 772 CG LYS A 50 -11.452 -3.262 11.469 1.00 42.20 C ATOM 773 CD LYS A 50 -12.705 -2.890 12.244 1.00 4.13 C ATOM 774 CE LYS A 50 -12.615 -1.479 12.805 1.00 42.22 C ATOM 775 NZ LYS A 50 -13.779 -0.645 12.397 1.00 12.10 N ATOM 0 H LYS A 50 -10.886 -4.859 7.403 1.00 50.31 H new ATOM 0 HA LYS A 50 -9.720 -3.975 9.777 1.00 45.33 H new ATOM 0 HB2 LYS A 50 -12.624 -4.046 9.861 1.00 73.13 H new ATOM 0 HB3 LYS A 50 -11.969 -5.267 10.935 1.00 73.13 H new ATOM 0 HG2 LYS A 50 -10.689 -3.620 12.160 1.00 42.20 H new ATOM 0 HG3 LYS A 50 -11.048 -2.375 10.981 1.00 42.20 H new ATOM 0 HD2 LYS A 50 -13.574 -2.968 11.591 1.00 4.13 H new ATOM 0 HD3 LYS A 50 -12.854 -3.598 13.059 1.00 4.13 H new ATOM 0 HE2 LYS A 50 -12.563 -1.523 13.893 1.00 42.22 H new ATOM 0 HE3 LYS A 50 -11.693 -1.009 12.461 1.00 42.22 H new ATOM 0 HZ1 LYS A 50 -13.680 0.309 12.799 1.00 12.10 H new ATOM 0 HZ2 LYS A 50 -13.814 -0.581 11.360 1.00 12.10 H new ATOM 0 HZ3 LYS A 50 -14.657 -1.079 12.747 1.00 12.10 H new ATOM 789 N ARG A 51 -11.181 -6.911 9.359 1.00 33.41 N ATOM 790 CA ARG A 51 -10.939 -8.349 9.352 1.00 4.14 C ATOM 791 C ARG A 51 -10.702 -8.854 7.932 1.00 15.10 C ATOM 792 O ARG A 51 -11.311 -9.833 7.500 1.00 72.23 O ATOM 793 CB ARG A 51 -12.121 -9.090 9.979 1.00 73.24 C ATOM 794 CG ARG A 51 -11.747 -10.434 10.583 1.00 0.52 C ATOM 795 CD ARG A 51 -12.495 -10.687 11.883 1.00 60.43 C ATOM 796 NE ARG A 51 -11.642 -10.494 13.052 1.00 3.01 N ATOM 797 CZ ARG A 51 -11.954 -10.926 14.269 1.00 41.40 C ATOM 798 NH1 ARG A 51 -13.093 -11.572 14.475 1.00 70.02 N ATOM 799 NH2 ARG A 51 -11.125 -10.711 15.283 1.00 34.21 N ATOM 0 H ARG A 51 -12.163 -6.648 9.279 1.00 33.41 H new ATOM 0 HA ARG A 51 -10.043 -8.544 9.942 1.00 4.14 H new ATOM 0 HB2 ARG A 51 -12.562 -8.463 10.754 1.00 73.24 H new ATOM 0 HB3 ARG A 51 -12.887 -9.243 9.219 1.00 73.24 H new ATOM 0 HG2 ARG A 51 -11.972 -11.229 9.872 1.00 0.52 H new ATOM 0 HG3 ARG A 51 -10.673 -10.465 10.768 1.00 0.52 H new ATOM 0 HD2 ARG A 51 -13.352 -10.016 11.945 1.00 60.43 H new ATOM 0 HD3 ARG A 51 -12.886 -11.704 11.884 1.00 60.43 H new ATOM 0 HE ARG A 51 -10.758 -10.000 12.928 1.00 3.01 H new ATOM 0 HH11 ARG A 51 -13.733 -11.739 13.698 1.00 70.02 H new ATOM 0 HH12 ARG A 51 -13.330 -11.903 15.410 1.00 70.02 H new ATOM 0 HH21 ARG A 51 -10.248 -10.214 15.128 1.00 34.21 H new ATOM 0 HH22 ARG A 51 -11.365 -11.043 16.217 1.00 34.21 H new ATOM 813 N THR A 52 -9.814 -8.178 7.209 1.00 34.32 N ATOM 814 CA THR A 52 -9.499 -8.557 5.838 1.00 41.45 C ATOM 815 C THR A 52 -8.076 -9.092 5.728 1.00 22.14 C ATOM 816 O THR A 52 -7.110 -8.366 5.962 1.00 24.22 O ATOM 817 CB THR A 52 -9.662 -7.365 4.875 1.00 73.54 C ATOM 818 OG1 THR A 52 -10.582 -6.415 5.423 1.00 2.30 O ATOM 819 CG2 THR A 52 -10.159 -7.833 3.515 1.00 71.11 C ATOM 0 H THR A 52 -9.301 -7.365 7.551 1.00 34.32 H new ATOM 0 HA THR A 52 -10.202 -9.342 5.558 1.00 41.45 H new ATOM 0 HB THR A 52 -8.688 -6.894 4.746 1.00 73.54 H new ATOM 0 HG1 THR A 52 -10.925 -5.841 4.707 1.00 2.30 H new ATOM 0 HG21 THR A 52 -10.267 -6.975 2.852 1.00 71.11 H new ATOM 0 HG22 THR A 52 -9.442 -8.534 3.087 1.00 71.11 H new ATOM 0 HG23 THR A 52 -11.124 -8.326 3.630 1.00 71.11 H new ATOM 827 N SER A 53 -7.954 -10.367 5.371 1.00 2.41 N ATOM 828 CA SER A 53 -6.648 -11.000 5.234 1.00 62.31 C ATOM 829 C SER A 53 -5.974 -10.579 3.932 1.00 62.34 C ATOM 830 O SER A 53 -6.531 -9.804 3.153 1.00 63.43 O ATOM 831 CB SER A 53 -6.789 -12.523 5.279 1.00 21.02 C ATOM 832 OG SER A 53 -7.993 -12.942 4.660 1.00 64.31 O ATOM 0 H SER A 53 -8.744 -10.981 5.172 1.00 2.41 H new ATOM 0 HA SER A 53 -6.025 -10.675 6.067 1.00 62.31 H new ATOM 0 HB2 SER A 53 -5.939 -12.985 4.778 1.00 21.02 H new ATOM 0 HB3 SER A 53 -6.771 -12.863 6.315 1.00 21.02 H new ATOM 0 HG SER A 53 -8.059 -13.919 4.700 1.00 64.31 H new ATOM 838 N LEU A 54 -4.771 -11.095 3.702 1.00 74.14 N ATOM 839 CA LEU A 54 -4.019 -10.774 2.494 1.00 52.34 C ATOM 840 C LEU A 54 -4.865 -11.011 1.246 1.00 3.04 C ATOM 841 O LEU A 54 -4.692 -10.339 0.230 1.00 1.33 O ATOM 842 CB LEU A 54 -2.743 -11.613 2.426 1.00 65.55 C ATOM 843 CG LEU A 54 -1.812 -11.326 1.247 1.00 71.04 C ATOM 844 CD1 LEU A 54 -1.400 -9.862 1.237 1.00 62.24 C ATOM 845 CD2 LEU A 54 -0.587 -12.227 1.302 1.00 1.22 C ATOM 0 H LEU A 54 -4.296 -11.737 4.336 1.00 74.14 H new ATOM 0 HA LEU A 54 -3.750 -9.718 2.533 1.00 52.34 H new ATOM 0 HB2 LEU A 54 -2.184 -11.463 3.349 1.00 65.55 H new ATOM 0 HB3 LEU A 54 -3.025 -12.665 2.392 1.00 65.55 H new ATOM 0 HG LEU A 54 -2.351 -11.537 0.323 1.00 71.04 H new ATOM 0 HD11 LEU A 54 -0.738 -9.676 0.391 1.00 62.24 H new ATOM 0 HD12 LEU A 54 -2.287 -9.235 1.148 1.00 62.24 H new ATOM 0 HD13 LEU A 54 -0.879 -9.624 2.165 1.00 62.24 H new ATOM 0 HD21 LEU A 54 0.064 -12.008 0.455 1.00 1.22 H new ATOM 0 HD22 LEU A 54 -0.046 -12.049 2.231 1.00 1.22 H new ATOM 0 HD23 LEU A 54 -0.900 -13.270 1.259 1.00 1.22 H new ATOM 857 N ALA A 55 -5.781 -11.970 1.332 1.00 24.14 N ATOM 858 CA ALA A 55 -6.656 -12.293 0.213 1.00 60.14 C ATOM 859 C ALA A 55 -7.390 -11.053 -0.286 1.00 33.04 C ATOM 860 O ALA A 55 -7.674 -10.924 -1.476 1.00 35.14 O ATOM 861 CB ALA A 55 -7.651 -13.372 0.614 1.00 23.13 C ATOM 0 H ALA A 55 -5.936 -12.537 2.166 1.00 24.14 H new ATOM 0 HA ALA A 55 -6.038 -12.670 -0.602 1.00 60.14 H new ATOM 0 HB1 ALA A 55 -8.298 -13.603 -0.232 1.00 23.13 H new ATOM 0 HB2 ALA A 55 -7.112 -14.271 0.914 1.00 23.13 H new ATOM 0 HB3 ALA A 55 -8.257 -13.017 1.448 1.00 23.13 H new ATOM 867 N GLY A 56 -7.696 -10.142 0.634 1.00 62.23 N ATOM 868 CA GLY A 56 -8.395 -8.925 0.268 1.00 54.41 C ATOM 869 C GLY A 56 -7.530 -7.980 -0.542 1.00 1.53 C ATOM 870 O GLY A 56 -7.971 -7.437 -1.555 1.00 20.53 O ATOM 0 H GLY A 56 -7.472 -10.226 1.626 1.00 62.23 H new ATOM 0 HA2 GLY A 56 -9.285 -9.180 -0.307 1.00 54.41 H new ATOM 0 HA3 GLY A 56 -8.733 -8.418 1.172 1.00 54.41 H new ATOM 874 N MET A 57 -6.295 -7.780 -0.094 1.00 22.15 N ATOM 875 CA MET A 57 -5.366 -6.893 -0.784 1.00 24.11 C ATOM 876 C MET A 57 -4.886 -7.518 -2.090 1.00 20.30 C ATOM 877 O MET A 57 -4.897 -6.874 -3.139 1.00 63.33 O ATOM 878 CB MET A 57 -4.168 -6.576 0.113 1.00 22.05 C ATOM 879 CG MET A 57 -4.548 -5.886 1.413 1.00 11.14 C ATOM 880 SD MET A 57 -4.392 -4.092 1.319 1.00 72.12 S ATOM 881 CE MET A 57 -5.738 -3.693 0.206 1.00 32.43 C ATOM 0 H MET A 57 -5.914 -8.220 0.744 1.00 22.15 H new ATOM 0 HA MET A 57 -5.892 -5.967 -1.016 1.00 24.11 H new ATOM 0 HB2 MET A 57 -3.642 -7.502 0.343 1.00 22.05 H new ATOM 0 HB3 MET A 57 -3.472 -5.942 -0.435 1.00 22.05 H new ATOM 0 HG2 MET A 57 -5.575 -6.144 1.670 1.00 11.14 H new ATOM 0 HG3 MET A 57 -3.914 -6.260 2.217 1.00 11.14 H new ATOM 0 HE1 MET A 57 -6.258 -2.806 0.568 1.00 32.43 H new ATOM 0 HE2 MET A 57 -5.341 -3.500 -0.791 1.00 32.43 H new ATOM 0 HE3 MET A 57 -6.435 -4.530 0.163 1.00 32.43 H new ATOM 891 N LYS A 58 -4.465 -8.777 -2.019 1.00 11.41 N ATOM 892 CA LYS A 58 -3.982 -9.490 -3.195 1.00 51.13 C ATOM 893 C LYS A 58 -5.039 -9.505 -4.295 1.00 13.32 C ATOM 894 O LYS A 58 -4.715 -9.541 -5.482 1.00 31.41 O ATOM 895 CB LYS A 58 -3.596 -10.924 -2.825 1.00 11.31 C ATOM 896 CG LYS A 58 -2.356 -11.425 -3.545 1.00 0.15 C ATOM 897 CD LYS A 58 -2.002 -12.842 -3.125 1.00 54.03 C ATOM 898 CE LYS A 58 -1.472 -12.886 -1.700 1.00 41.34 C ATOM 899 NZ LYS A 58 -0.517 -14.010 -1.498 1.00 70.44 N ATOM 0 H LYS A 58 -4.449 -9.324 -1.158 1.00 11.41 H new ATOM 0 HA LYS A 58 -3.101 -8.968 -3.569 1.00 51.13 H new ATOM 0 HB2 LYS A 58 -3.429 -10.980 -1.749 1.00 11.31 H new ATOM 0 HB3 LYS A 58 -4.431 -11.586 -3.053 1.00 11.31 H new ATOM 0 HG2 LYS A 58 -2.522 -11.394 -4.622 1.00 0.15 H new ATOM 0 HG3 LYS A 58 -1.518 -10.761 -3.333 1.00 0.15 H new ATOM 0 HD2 LYS A 58 -2.884 -13.477 -3.206 1.00 54.03 H new ATOM 0 HD3 LYS A 58 -1.253 -13.248 -3.805 1.00 54.03 H new ATOM 0 HE2 LYS A 58 -0.977 -11.943 -1.467 1.00 41.34 H new ATOM 0 HE3 LYS A 58 -2.306 -12.989 -1.005 1.00 41.34 H new ATOM 0 HZ1 LYS A 58 -0.661 -14.422 -0.554 1.00 70.44 H new ATOM 0 HZ2 LYS A 58 -0.680 -14.738 -2.222 1.00 70.44 H new ATOM 0 HZ3 LYS A 58 0.458 -13.656 -1.576 1.00 70.44 H new ATOM 913 N LYS A 59 -6.305 -9.475 -3.892 1.00 53.44 N ATOM 914 CA LYS A 59 -7.411 -9.482 -4.843 1.00 11.43 C ATOM 915 C LYS A 59 -7.338 -8.274 -5.772 1.00 24.21 C ATOM 916 O LYS A 59 -7.737 -8.348 -6.935 1.00 1.32 O ATOM 917 CB LYS A 59 -8.749 -9.486 -4.100 1.00 30.22 C ATOM 918 CG LYS A 59 -9.953 -9.610 -5.017 1.00 15.01 C ATOM 919 CD LYS A 59 -10.788 -8.340 -5.015 1.00 74.42 C ATOM 920 CE LYS A 59 -12.205 -8.604 -5.504 1.00 5.04 C ATOM 921 NZ LYS A 59 -12.740 -7.461 -6.294 1.00 72.54 N ATOM 0 H LYS A 59 -6.591 -9.446 -2.913 1.00 53.44 H new ATOM 0 HA LYS A 59 -7.333 -10.387 -5.445 1.00 11.43 H new ATOM 0 HB2 LYS A 59 -8.758 -10.312 -3.389 1.00 30.22 H new ATOM 0 HB3 LYS A 59 -8.837 -8.566 -3.521 1.00 30.22 H new ATOM 0 HG2 LYS A 59 -9.618 -9.825 -6.032 1.00 15.01 H new ATOM 0 HG3 LYS A 59 -10.568 -10.452 -4.699 1.00 15.01 H new ATOM 0 HD2 LYS A 59 -10.821 -7.926 -4.007 1.00 74.42 H new ATOM 0 HD3 LYS A 59 -10.316 -7.592 -5.651 1.00 74.42 H new ATOM 0 HE2 LYS A 59 -12.216 -9.506 -6.116 1.00 5.04 H new ATOM 0 HE3 LYS A 59 -12.855 -8.791 -4.649 1.00 5.04 H new ATOM 0 HZ1 LYS A 59 -13.707 -7.679 -6.609 1.00 72.54 H new ATOM 0 HZ2 LYS A 59 -12.753 -6.606 -5.702 1.00 72.54 H new ATOM 0 HZ3 LYS A 59 -12.134 -7.298 -7.123 1.00 72.54 H new ATOM 935 N LEU A 60 -6.824 -7.164 -5.253 1.00 31.52 N ATOM 936 CA LEU A 60 -6.697 -5.941 -6.037 1.00 3.23 C ATOM 937 C LEU A 60 -5.473 -6.001 -6.946 1.00 35.51 C ATOM 938 O LEU A 60 -5.513 -5.541 -8.087 1.00 40.13 O ATOM 939 CB LEU A 60 -6.599 -4.727 -5.111 1.00 42.33 C ATOM 940 CG LEU A 60 -7.911 -4.250 -4.489 1.00 55.51 C ATOM 941 CD1 LEU A 60 -8.262 -5.091 -3.271 1.00 42.44 C ATOM 942 CD2 LEU A 60 -7.820 -2.777 -4.114 1.00 60.53 C ATOM 0 H LEU A 60 -6.489 -7.086 -4.293 1.00 31.52 H new ATOM 0 HA LEU A 60 -7.586 -5.845 -6.661 1.00 3.23 H new ATOM 0 HB2 LEU A 60 -5.904 -4.965 -4.306 1.00 42.33 H new ATOM 0 HB3 LEU A 60 -6.165 -3.900 -5.673 1.00 42.33 H new ATOM 0 HG LEU A 60 -8.704 -4.368 -5.227 1.00 55.51 H new ATOM 0 HD11 LEU A 60 -9.199 -4.736 -2.842 1.00 42.44 H new ATOM 0 HD12 LEU A 60 -8.371 -6.134 -3.568 1.00 42.44 H new ATOM 0 HD13 LEU A 60 -7.468 -5.006 -2.529 1.00 42.44 H new ATOM 0 HD21 LEU A 60 -8.763 -2.455 -3.673 1.00 60.53 H new ATOM 0 HD22 LEU A 60 -7.015 -2.634 -3.393 1.00 60.53 H new ATOM 0 HD23 LEU A 60 -7.617 -2.186 -5.007 1.00 60.53 H new ATOM 954 N ILE A 61 -4.390 -6.574 -6.433 1.00 64.03 N ATOM 955 CA ILE A 61 -3.156 -6.698 -7.200 1.00 53.34 C ATOM 956 C ILE A 61 -2.510 -8.062 -6.985 1.00 43.14 C ATOM 957 O ILE A 61 -1.524 -8.202 -6.261 1.00 62.14 O ATOM 958 CB ILE A 61 -2.146 -5.598 -6.823 1.00 71.13 C ATOM 959 CG1 ILE A 61 -2.775 -4.215 -7.001 1.00 50.41 C ATOM 960 CG2 ILE A 61 -0.886 -5.725 -7.666 1.00 22.20 C ATOM 961 CD1 ILE A 61 -3.441 -3.688 -5.749 1.00 72.41 C ATOM 0 H ILE A 61 -4.341 -6.960 -5.490 1.00 64.03 H new ATOM 0 HA ILE A 61 -3.425 -6.588 -8.251 1.00 53.34 H new ATOM 0 HB ILE A 61 -1.873 -5.720 -5.775 1.00 71.13 H new ATOM 0 HG12 ILE A 61 -2.004 -3.512 -7.316 1.00 50.41 H new ATOM 0 HG13 ILE A 61 -3.512 -4.260 -7.803 1.00 50.41 H new ATOM 0 HG21 ILE A 61 -0.182 -4.941 -7.388 1.00 22.20 H new ATOM 0 HG22 ILE A 61 -0.430 -6.700 -7.494 1.00 22.20 H new ATOM 0 HG23 ILE A 61 -1.142 -5.625 -8.721 1.00 22.20 H new ATOM 0 HD11 ILE A 61 -3.865 -2.704 -5.949 1.00 72.41 H new ATOM 0 HD12 ILE A 61 -4.235 -4.370 -5.445 1.00 72.41 H new ATOM 0 HD13 ILE A 61 -2.704 -3.610 -4.950 1.00 72.41 H new ATOM 973 N PRO A 62 -3.075 -9.093 -7.630 1.00 74.02 N ATOM 974 CA PRO A 62 -2.569 -10.465 -7.527 1.00 51.13 C ATOM 975 C PRO A 62 -1.224 -10.640 -8.224 1.00 30.21 C ATOM 976 O PRO A 62 -1.152 -10.700 -9.451 1.00 35.34 O ATOM 977 CB PRO A 62 -3.647 -11.294 -8.229 1.00 70.53 C ATOM 978 CG PRO A 62 -4.298 -10.346 -9.176 1.00 61.33 C ATOM 979 CD PRO A 62 -4.253 -8.999 -8.510 1.00 25.01 C ATOM 0 HA PRO A 62 -2.393 -10.758 -6.492 1.00 51.13 H new ATOM 0 HB2 PRO A 62 -3.212 -12.144 -8.756 1.00 70.53 H new ATOM 0 HB3 PRO A 62 -4.365 -11.695 -7.514 1.00 70.53 H new ATOM 0 HG2 PRO A 62 -3.773 -10.327 -10.131 1.00 61.33 H new ATOM 0 HG3 PRO A 62 -5.326 -10.645 -9.383 1.00 61.33 H new ATOM 0 HD2 PRO A 62 -4.148 -8.194 -9.238 1.00 25.01 H new ATOM 0 HD3 PRO A 62 -5.163 -8.800 -7.944 1.00 25.01 H new ATOM 987 N GLY A 63 -0.159 -10.722 -7.432 1.00 62.14 N ATOM 988 CA GLY A 63 1.170 -10.890 -7.992 1.00 32.14 C ATOM 989 C GLY A 63 2.151 -9.857 -7.474 1.00 64.34 C ATOM 990 O GLY A 63 3.056 -9.435 -8.195 1.00 34.35 O ATOM 0 H GLY A 63 -0.192 -10.675 -6.414 1.00 62.14 H new ATOM 0 HA2 GLY A 63 1.538 -11.888 -7.754 1.00 32.14 H new ATOM 0 HA3 GLY A 63 1.115 -10.822 -9.078 1.00 32.14 H new ATOM 994 N ALA A 64 1.972 -9.448 -6.223 1.00 4.13 N ATOM 995 CA ALA A 64 2.850 -8.459 -5.610 1.00 10.52 C ATOM 996 C ALA A 64 3.353 -8.937 -4.252 1.00 63.23 C ATOM 997 O ALA A 64 2.869 -9.934 -3.716 1.00 23.42 O ATOM 998 CB ALA A 64 2.127 -7.128 -5.467 1.00 55.42 C ATOM 0 H ALA A 64 1.227 -9.786 -5.614 1.00 4.13 H new ATOM 0 HA ALA A 64 3.714 -8.324 -6.261 1.00 10.52 H new ATOM 0 HB1 ALA A 64 2.795 -6.399 -5.008 1.00 55.42 H new ATOM 0 HB2 ALA A 64 1.822 -6.772 -6.451 1.00 55.42 H new ATOM 0 HB3 ALA A 64 1.245 -7.258 -4.839 1.00 55.42 H new ATOM 1004 N HIS A 65 4.328 -8.221 -3.702 1.00 3.14 N ATOM 1005 CA HIS A 65 4.898 -8.573 -2.406 1.00 35.24 C ATOM 1006 C HIS A 65 4.219 -7.793 -1.284 1.00 35.21 C ATOM 1007 O HIS A 65 4.378 -6.577 -1.175 1.00 32.21 O ATOM 1008 CB HIS A 65 6.402 -8.300 -2.394 1.00 72.24 C ATOM 1009 CG HIS A 65 7.139 -9.053 -1.330 1.00 63.23 C ATOM 1010 ND1 HIS A 65 7.879 -8.434 -0.345 1.00 43.44 N ATOM 1011 CD2 HIS A 65 7.247 -10.383 -1.099 1.00 55.43 C ATOM 1012 CE1 HIS A 65 8.411 -9.349 0.444 1.00 21.43 C ATOM 1013 NE2 HIS A 65 8.042 -10.540 0.009 1.00 61.52 N ATOM 0 H HIS A 65 4.740 -7.394 -4.133 1.00 3.14 H new ATOM 0 HA HIS A 65 4.729 -9.637 -2.240 1.00 35.24 H new ATOM 0 HB2 HIS A 65 6.818 -8.561 -3.367 1.00 72.24 H new ATOM 0 HB3 HIS A 65 6.568 -7.232 -2.253 1.00 72.24 H new ATOM 0 HD2 HIS A 65 6.792 -11.173 -1.678 1.00 55.43 H new ATOM 0 HE1 HIS A 65 9.041 -9.156 1.300 1.00 21.43 H new ATOM 0 HE2 HIS A 65 8.305 -11.432 0.428 1.00 61.52 H new ATOM 1021 N PHE A 66 3.460 -8.500 -0.453 1.00 24.53 N ATOM 1022 CA PHE A 66 2.756 -7.874 0.660 1.00 74.13 C ATOM 1023 C PHE A 66 3.340 -8.324 1.996 1.00 54.41 C ATOM 1024 O PHE A 66 3.984 -9.368 2.083 1.00 60.23 O ATOM 1025 CB PHE A 66 1.265 -8.213 0.602 1.00 14.01 C ATOM 1026 CG PHE A 66 0.439 -7.169 -0.094 1.00 1.12 C ATOM 1027 CD1 PHE A 66 0.410 -7.098 -1.477 1.00 71.52 C ATOM 1028 CD2 PHE A 66 -0.307 -6.258 0.636 1.00 54.54 C ATOM 1029 CE1 PHE A 66 -0.349 -6.139 -2.121 1.00 30.11 C ATOM 1030 CE2 PHE A 66 -1.069 -5.296 -0.002 1.00 65.45 C ATOM 1031 CZ PHE A 66 -1.088 -5.236 -1.382 1.00 74.33 C ATOM 0 H PHE A 66 3.317 -9.507 -0.529 1.00 24.53 H new ATOM 0 HA PHE A 66 2.880 -6.794 0.575 1.00 74.13 H new ATOM 0 HB2 PHE A 66 1.137 -9.167 0.090 1.00 14.01 H new ATOM 0 HB3 PHE A 66 0.891 -8.344 1.617 1.00 14.01 H new ATOM 0 HD1 PHE A 66 0.988 -7.801 -2.059 1.00 71.52 H new ATOM 0 HD2 PHE A 66 -0.293 -6.299 1.715 1.00 54.54 H new ATOM 0 HE1 PHE A 66 -0.364 -6.096 -3.200 1.00 30.11 H new ATOM 0 HE2 PHE A 66 -1.648 -4.593 0.578 1.00 65.45 H new ATOM 0 HZ PHE A 66 -1.680 -4.484 -1.882 1.00 74.33 H new ATOM 1041 N GLU A 67 3.109 -7.526 3.034 1.00 20.01 N ATOM 1042 CA GLU A 67 3.614 -7.841 4.365 1.00 35.14 C ATOM 1043 C GLU A 67 2.714 -7.244 5.444 1.00 51.24 C ATOM 1044 O GLU A 67 2.635 -6.025 5.597 1.00 14.24 O ATOM 1045 CB GLU A 67 5.042 -7.318 4.531 1.00 61.54 C ATOM 1046 CG GLU A 67 6.094 -8.415 4.540 1.00 0.23 C ATOM 1047 CD GLU A 67 7.508 -7.867 4.550 1.00 12.23 C ATOM 1048 OE1 GLU A 67 7.680 -6.673 4.875 1.00 71.34 O ATOM 1049 OE2 GLU A 67 8.442 -8.632 4.234 1.00 65.43 O ATOM 0 H GLU A 67 2.576 -6.658 2.979 1.00 20.01 H new ATOM 0 HA GLU A 67 3.617 -8.925 4.477 1.00 35.14 H new ATOM 0 HB2 GLU A 67 5.262 -6.622 3.721 1.00 61.54 H new ATOM 0 HB3 GLU A 67 5.108 -6.755 5.462 1.00 61.54 H new ATOM 0 HG2 GLU A 67 5.947 -9.047 5.416 1.00 0.23 H new ATOM 0 HG3 GLU A 67 5.960 -9.049 3.663 1.00 0.23 H new ATOM 1056 N LYS A 68 2.037 -8.111 6.188 1.00 34.30 N ATOM 1057 CA LYS A 68 1.142 -7.672 7.253 1.00 65.22 C ATOM 1058 C LYS A 68 1.768 -7.914 8.623 1.00 72.32 C ATOM 1059 O LYS A 68 1.072 -7.934 9.638 1.00 20.43 O ATOM 1060 CB LYS A 68 -0.198 -8.404 7.156 1.00 61.34 C ATOM 1061 CG LYS A 68 -1.288 -7.794 8.019 1.00 55.33 C ATOM 1062 CD LYS A 68 -2.060 -8.859 8.779 1.00 24.25 C ATOM 1063 CE LYS A 68 -2.915 -8.249 9.880 1.00 63.53 C ATOM 1064 NZ LYS A 68 -2.206 -8.235 11.189 1.00 3.42 N ATOM 0 H LYS A 68 2.091 -9.123 6.073 1.00 34.30 H new ATOM 0 HA LYS A 68 0.973 -6.602 7.134 1.00 65.22 H new ATOM 0 HB2 LYS A 68 -0.527 -8.406 6.117 1.00 61.34 H new ATOM 0 HB3 LYS A 68 -0.056 -9.445 7.447 1.00 61.34 H new ATOM 0 HG2 LYS A 68 -0.844 -7.092 8.725 1.00 55.33 H new ATOM 0 HG3 LYS A 68 -1.974 -7.224 7.392 1.00 55.33 H new ATOM 0 HD2 LYS A 68 -2.696 -9.412 8.088 1.00 24.25 H new ATOM 0 HD3 LYS A 68 -1.362 -9.575 9.213 1.00 24.25 H new ATOM 0 HE2 LYS A 68 -3.189 -7.231 9.605 1.00 63.53 H new ATOM 0 HE3 LYS A 68 -3.842 -8.814 9.975 1.00 63.53 H new ATOM 0 HZ1 LYS A 68 -2.822 -7.812 11.913 1.00 3.42 H new ATOM 0 HZ2 LYS A 68 -1.966 -9.209 11.464 1.00 3.42 H new ATOM 0 HZ3 LYS A 68 -1.334 -7.674 11.106 1.00 3.42 H new ATOM 1078 N ARG A 69 3.084 -8.096 8.644 1.00 61.24 N ATOM 1079 CA ARG A 69 3.803 -8.336 9.889 1.00 34.43 C ATOM 1080 C ARG A 69 3.974 -7.041 10.677 1.00 54.32 C ATOM 1081 O ARG A 69 4.534 -7.038 11.773 1.00 63.32 O ATOM 1082 CB ARG A 69 5.172 -8.956 9.602 1.00 53.41 C ATOM 1083 CG ARG A 69 5.308 -10.387 10.095 1.00 45.21 C ATOM 1084 CD ARG A 69 6.767 -10.805 10.193 1.00 22.22 C ATOM 1085 NE ARG A 69 6.946 -12.231 9.934 1.00 62.21 N ATOM 1086 CZ ARG A 69 8.120 -12.850 10.006 1.00 14.34 C ATOM 1087 NH1 ARG A 69 9.212 -12.171 10.329 1.00 12.31 N ATOM 1088 NH2 ARG A 69 8.202 -14.150 9.756 1.00 20.23 N ATOM 0 H ARG A 69 3.674 -8.082 7.812 1.00 61.24 H new ATOM 0 HA ARG A 69 3.216 -9.031 10.489 1.00 34.43 H new ATOM 0 HB2 ARG A 69 5.354 -8.932 8.528 1.00 53.41 H new ATOM 0 HB3 ARG A 69 5.944 -8.345 10.070 1.00 53.41 H new ATOM 0 HG2 ARG A 69 4.834 -10.483 11.072 1.00 45.21 H new ATOM 0 HG3 ARG A 69 4.781 -11.058 9.417 1.00 45.21 H new ATOM 0 HD2 ARG A 69 7.358 -10.230 9.480 1.00 22.22 H new ATOM 0 HD3 ARG A 69 7.147 -10.567 11.187 1.00 22.22 H new ATOM 0 HE ARG A 69 6.125 -12.782 9.684 1.00 62.21 H new ATOM 0 HH11 ARG A 69 9.152 -11.171 10.523 1.00 12.31 H new ATOM 0 HH12 ARG A 69 10.112 -12.648 10.384 1.00 12.31 H new ATOM 0 HH21 ARG A 69 7.364 -14.676 9.508 1.00 20.23 H new ATOM 0 HH22 ARG A 69 9.103 -14.624 9.811 1.00 20.23 H new ATOM 1102 N ARG A 70 3.487 -5.941 10.110 1.00 20.43 N ATOM 1103 CA ARG A 70 3.588 -4.639 10.758 1.00 33.33 C ATOM 1104 C ARG A 70 5.040 -4.175 10.824 1.00 72.34 C ATOM 1105 O ARG A 70 5.546 -3.835 11.892 1.00 21.10 O ATOM 1106 CB ARG A 70 2.997 -4.700 12.168 1.00 73.40 C ATOM 1107 CG ARG A 70 1.688 -5.470 12.247 1.00 2.21 C ATOM 1108 CD ARG A 70 1.872 -6.811 12.940 1.00 54.00 C ATOM 1109 NE ARG A 70 0.707 -7.177 13.741 1.00 14.11 N ATOM 1110 CZ ARG A 70 0.728 -8.112 14.684 1.00 34.30 C ATOM 1111 NH1 ARG A 70 1.848 -8.772 14.943 1.00 70.42 N ATOM 1112 NH2 ARG A 70 -0.374 -8.389 15.371 1.00 44.33 N ATOM 0 H ARG A 70 3.019 -5.926 9.204 1.00 20.43 H new ATOM 0 HA ARG A 70 3.022 -3.921 10.164 1.00 33.33 H new ATOM 0 HB2 ARG A 70 3.722 -5.163 12.837 1.00 73.40 H new ATOM 0 HB3 ARG A 70 2.834 -3.684 12.529 1.00 73.40 H new ATOM 0 HG2 ARG A 70 0.949 -4.879 12.787 1.00 2.21 H new ATOM 0 HG3 ARG A 70 1.297 -5.629 11.242 1.00 2.21 H new ATOM 0 HD2 ARG A 70 2.055 -7.583 12.193 1.00 54.00 H new ATOM 0 HD3 ARG A 70 2.754 -6.771 13.580 1.00 54.00 H new ATOM 0 HE ARG A 70 -0.171 -6.688 13.567 1.00 14.11 H new ATOM 0 HH11 ARG A 70 2.697 -8.562 14.418 1.00 70.42 H new ATOM 0 HH12 ARG A 70 1.861 -9.490 15.668 1.00 70.42 H new ATOM 0 HH21 ARG A 70 -1.238 -7.884 15.175 1.00 44.33 H new ATOM 0 HH22 ARG A 70 -0.357 -9.107 16.095 1.00 44.33 H new ATOM 1126 N GLY A 71 5.705 -4.165 9.672 1.00 10.13 N ATOM 1127 CA GLY A 71 7.092 -3.742 9.621 1.00 42.02 C ATOM 1128 C GLY A 71 7.244 -2.238 9.730 1.00 42.35 C ATOM 1129 O GLY A 71 8.361 -1.719 9.766 1.00 33.22 O ATOM 0 H GLY A 71 5.308 -4.442 8.774 1.00 10.13 H new ATOM 0 HA2 GLY A 71 7.644 -4.219 10.430 1.00 42.02 H new ATOM 0 HA3 GLY A 71 7.538 -4.082 8.687 1.00 42.02 H new ATOM 1133 N THR A 72 6.118 -1.533 9.780 1.00 41.33 N ATOM 1134 CA THR A 72 6.131 -0.079 9.882 1.00 55.13 C ATOM 1135 C THR A 72 4.789 0.449 10.377 1.00 71.01 C ATOM 1136 O THR A 72 4.380 1.555 10.026 1.00 0.41 O ATOM 1137 CB THR A 72 6.459 0.577 8.527 1.00 71.50 C ATOM 1138 OG1 THR A 72 6.945 -0.410 7.610 1.00 23.24 O ATOM 1139 CG2 THR A 72 7.497 1.676 8.695 1.00 22.51 C ATOM 0 H THR A 72 5.186 -1.946 9.752 1.00 41.33 H new ATOM 0 HA THR A 72 6.909 0.180 10.600 1.00 55.13 H new ATOM 0 HB THR A 72 5.545 1.020 8.132 1.00 71.50 H new ATOM 0 HG1 THR A 72 7.150 0.014 6.751 1.00 23.24 H new ATOM 0 HG21 THR A 72 7.712 2.124 7.725 1.00 22.51 H new ATOM 0 HG22 THR A 72 7.112 2.440 9.370 1.00 22.51 H new ATOM 0 HG23 THR A 72 8.412 1.252 9.110 1.00 22.51 H new ATOM 1147 N GLN A 73 4.109 -0.349 11.194 1.00 63.20 N ATOM 1148 CA GLN A 73 2.813 0.039 11.737 1.00 1.30 C ATOM 1149 C GLN A 73 2.909 1.371 12.474 1.00 55.33 C ATOM 1150 O GLN A 73 3.354 1.428 13.619 1.00 43.21 O ATOM 1151 CB GLN A 73 2.287 -1.043 12.682 1.00 42.14 C ATOM 1152 CG GLN A 73 1.058 -0.618 13.469 1.00 21.30 C ATOM 1153 CD GLN A 73 1.387 -0.218 14.894 1.00 44.34 C ATOM 1154 OE1 GLN A 73 2.164 -0.888 15.575 1.00 13.54 O ATOM 1155 NE2 GLN A 73 0.798 0.880 15.351 1.00 15.44 N ATOM 0 H GLN A 73 4.434 -1.268 11.494 1.00 63.20 H new ATOM 0 HA GLN A 73 2.118 0.153 10.905 1.00 1.30 H new ATOM 0 HB2 GLN A 73 2.047 -1.934 12.102 1.00 42.14 H new ATOM 0 HB3 GLN A 73 3.077 -1.320 13.380 1.00 42.14 H new ATOM 0 HG2 GLN A 73 0.578 0.219 12.962 1.00 21.30 H new ATOM 0 HG3 GLN A 73 0.339 -1.437 13.482 1.00 21.30 H new ATOM 0 HE21 GLN A 73 0.161 1.404 14.751 1.00 15.44 H new ATOM 0 HE22 GLN A 73 0.982 1.200 16.302 1.00 15.44 H new ATOM 1164 N GLY A 74 2.487 2.442 11.808 1.00 54.13 N ATOM 1165 CA GLY A 74 2.533 3.759 12.415 1.00 45.31 C ATOM 1166 C GLY A 74 3.753 4.552 11.988 1.00 62.52 C ATOM 1167 O GLY A 74 3.737 5.782 11.999 1.00 32.24 O ATOM 0 H GLY A 74 2.114 2.421 10.859 1.00 54.13 H new ATOM 0 HA2 GLY A 74 1.632 4.311 12.146 1.00 45.31 H new ATOM 0 HA3 GLY A 74 2.532 3.656 13.500 1.00 45.31 H new ATOM 1171 N GLU A 75 4.814 3.845 11.611 1.00 22.53 N ATOM 1172 CA GLU A 75 6.049 4.491 11.181 1.00 34.13 C ATOM 1173 C GLU A 75 5.927 4.995 9.746 1.00 64.41 C ATOM 1174 O GLU A 75 6.585 5.960 9.358 1.00 22.40 O ATOM 1175 CB GLU A 75 7.225 3.520 11.295 1.00 64.41 C ATOM 1176 CG GLU A 75 8.019 3.673 12.582 1.00 71.34 C ATOM 1177 CD GLU A 75 8.228 2.353 13.298 1.00 22.14 C ATOM 1178 OE1 GLU A 75 8.840 1.443 12.701 1.00 72.01 O ATOM 1179 OE2 GLU A 75 7.780 2.231 14.458 1.00 62.32 O ATOM 0 H GLU A 75 4.843 2.826 11.595 1.00 22.53 H new ATOM 0 HA GLU A 75 6.229 5.345 11.834 1.00 34.13 H new ATOM 0 HB2 GLU A 75 6.850 2.499 11.229 1.00 64.41 H new ATOM 0 HB3 GLU A 75 7.892 3.670 10.446 1.00 64.41 H new ATOM 0 HG2 GLU A 75 8.988 4.117 12.356 1.00 71.34 H new ATOM 0 HG3 GLU A 75 7.499 4.364 13.246 1.00 71.34 H new ATOM 1186 N ALA A 76 5.082 4.333 8.962 1.00 10.23 N ATOM 1187 CA ALA A 76 4.873 4.714 7.571 1.00 60.21 C ATOM 1188 C ALA A 76 4.162 6.059 7.471 1.00 40.14 C ATOM 1189 O ALA A 76 4.080 6.650 6.393 1.00 31.44 O ATOM 1190 CB ALA A 76 4.079 3.639 6.843 1.00 14.24 C ATOM 0 H ALA A 76 4.531 3.530 9.267 1.00 10.23 H new ATOM 0 HA ALA A 76 5.849 4.813 7.096 1.00 60.21 H new ATOM 0 HB1 ALA A 76 3.930 3.937 5.805 1.00 14.24 H new ATOM 0 HB2 ALA A 76 4.627 2.697 6.875 1.00 14.24 H new ATOM 0 HB3 ALA A 76 3.110 3.512 7.326 1.00 14.24 H new ATOM 1196 N ARG A 77 3.649 6.538 8.599 1.00 21.33 N ATOM 1197 CA ARG A 77 2.943 7.813 8.637 1.00 22.35 C ATOM 1198 C ARG A 77 3.917 8.978 8.486 1.00 33.12 C ATOM 1199 O ARG A 77 3.516 10.096 8.165 1.00 44.30 O ATOM 1200 CB ARG A 77 2.166 7.951 9.948 1.00 72.42 C ATOM 1201 CG ARG A 77 0.764 8.511 9.768 1.00 22.45 C ATOM 1202 CD ARG A 77 -0.288 7.415 9.850 1.00 42.55 C ATOM 1203 NE ARG A 77 -1.607 7.947 10.183 1.00 64.01 N ATOM 1204 CZ ARG A 77 -2.709 7.207 10.223 1.00 23.51 C ATOM 1205 NH1 ARG A 77 -2.650 5.910 9.953 1.00 73.23 N ATOM 1206 NH2 ARG A 77 -3.872 7.763 10.535 1.00 72.11 N ATOM 0 H ARG A 77 3.709 6.062 9.499 1.00 21.33 H new ATOM 0 HA ARG A 77 2.242 7.837 7.803 1.00 22.35 H new ATOM 0 HB2 ARG A 77 2.099 6.974 10.426 1.00 72.42 H new ATOM 0 HB3 ARG A 77 2.723 8.599 10.624 1.00 72.42 H new ATOM 0 HG2 ARG A 77 0.570 9.262 10.534 1.00 22.45 H new ATOM 0 HG3 ARG A 77 0.693 9.014 8.804 1.00 22.45 H new ATOM 0 HD2 ARG A 77 -0.339 6.889 8.896 1.00 42.55 H new ATOM 0 HD3 ARG A 77 0.008 6.683 10.602 1.00 42.55 H new ATOM 0 HE ARG A 77 -1.686 8.941 10.396 1.00 64.01 H new ATOM 0 HH11 ARG A 77 -1.757 5.479 9.714 1.00 73.23 H new ATOM 0 HH12 ARG A 77 -3.498 5.343 9.984 1.00 73.23 H new ATOM 0 HH21 ARG A 77 -3.921 8.760 10.745 1.00 72.11 H new ATOM 0 HH22 ARG A 77 -4.718 7.194 10.565 1.00 72.11 H new ATOM 1220 N ALA A 78 5.197 8.707 8.720 1.00 14.14 N ATOM 1221 CA ALA A 78 6.227 9.732 8.609 1.00 61.12 C ATOM 1222 C ALA A 78 7.244 9.373 7.530 1.00 14.12 C ATOM 1223 O ALA A 78 7.394 10.092 6.542 1.00 64.31 O ATOM 1224 CB ALA A 78 6.923 9.929 9.948 1.00 54.14 C ATOM 0 H ALA A 78 5.545 7.786 8.988 1.00 14.14 H new ATOM 0 HA ALA A 78 5.745 10.667 8.322 1.00 61.12 H new ATOM 0 HB1 ALA A 78 7.690 10.697 9.850 1.00 54.14 H new ATOM 0 HB2 ALA A 78 6.193 10.238 10.696 1.00 54.14 H new ATOM 0 HB3 ALA A 78 7.386 8.992 10.259 1.00 54.14 H new ATOM 1230 N TYR A 79 7.939 8.258 7.727 1.00 52.44 N ATOM 1231 CA TYR A 79 8.944 7.806 6.772 1.00 52.21 C ATOM 1232 C TYR A 79 8.301 7.432 5.440 1.00 34.31 C ATOM 1233 O TYR A 79 8.734 7.883 4.380 1.00 15.40 O ATOM 1234 CB TYR A 79 9.710 6.608 7.335 1.00 4.54 C ATOM 1235 CG TYR A 79 10.705 6.014 6.364 1.00 53.45 C ATOM 1236 CD1 TYR A 79 11.425 6.825 5.494 1.00 30.42 C ATOM 1237 CD2 TYR A 79 10.923 4.643 6.314 1.00 44.33 C ATOM 1238 CE1 TYR A 79 12.334 6.286 4.604 1.00 41.40 C ATOM 1239 CE2 TYR A 79 11.831 4.097 5.428 1.00 64.51 C ATOM 1240 CZ TYR A 79 12.534 4.922 4.575 1.00 21.00 C ATOM 1241 OH TYR A 79 13.439 4.381 3.690 1.00 35.02 O ATOM 0 H TYR A 79 7.825 7.651 8.539 1.00 52.44 H new ATOM 0 HA TYR A 79 9.641 8.627 6.601 1.00 52.21 H new ATOM 0 HB2 TYR A 79 10.236 6.916 8.238 1.00 4.54 H new ATOM 0 HB3 TYR A 79 8.997 5.837 7.629 1.00 4.54 H new ATOM 0 HD1 TYR A 79 11.271 7.894 5.514 1.00 30.42 H new ATOM 0 HD2 TYR A 79 10.373 3.993 6.979 1.00 44.33 H new ATOM 0 HE1 TYR A 79 12.885 6.930 3.934 1.00 41.40 H new ATOM 0 HE2 TYR A 79 11.990 3.029 5.403 1.00 64.51 H new ATOM 0 HH TYR A 79 14.042 3.775 4.169 1.00 35.02 H new ATOM 1251 N SER A 80 7.263 6.603 5.504 1.00 42.12 N ATOM 1252 CA SER A 80 6.561 6.164 4.304 1.00 53.23 C ATOM 1253 C SER A 80 7.498 5.399 3.375 1.00 61.23 C ATOM 1254 O SER A 80 7.621 4.178 3.468 1.00 62.01 O ATOM 1255 CB SER A 80 5.964 7.366 3.568 1.00 24.11 C ATOM 1256 OG SER A 80 4.875 7.915 4.288 1.00 14.23 O ATOM 0 H SER A 80 6.890 6.222 6.374 1.00 42.12 H new ATOM 0 HA SER A 80 5.755 5.496 4.609 1.00 53.23 H new ATOM 0 HB2 SER A 80 6.731 8.127 3.426 1.00 24.11 H new ATOM 0 HB3 SER A 80 5.631 7.060 2.576 1.00 24.11 H new ATOM 0 HG SER A 80 4.518 7.242 4.904 1.00 14.23 H new ATOM 1262 N MET A 81 8.157 6.126 2.479 1.00 51.43 N ATOM 1263 CA MET A 81 9.085 5.517 1.533 1.00 74.21 C ATOM 1264 C MET A 81 10.434 6.227 1.561 1.00 63.03 C ATOM 1265 O MET A 81 10.645 7.152 2.345 1.00 13.23 O ATOM 1266 CB MET A 81 8.503 5.556 0.118 1.00 4.42 C ATOM 1267 CG MET A 81 7.853 4.250 -0.308 1.00 51.43 C ATOM 1268 SD MET A 81 6.406 3.838 0.686 1.00 24.21 S ATOM 1269 CE MET A 81 5.334 5.223 0.315 1.00 52.24 C ATOM 0 H MET A 81 8.066 7.138 2.388 1.00 51.43 H new ATOM 0 HA MET A 81 9.236 4.478 1.827 1.00 74.21 H new ATOM 0 HB2 MET A 81 7.765 6.356 0.060 1.00 4.42 H new ATOM 0 HB3 MET A 81 9.297 5.804 -0.586 1.00 4.42 H new ATOM 0 HG2 MET A 81 7.561 4.319 -1.356 1.00 51.43 H new ATOM 0 HG3 MET A 81 8.583 3.444 -0.232 1.00 51.43 H new ATOM 0 HE1 MET A 81 4.484 5.218 0.998 1.00 52.24 H new ATOM 0 HE2 MET A 81 5.889 6.154 0.432 1.00 52.24 H new ATOM 0 HE3 MET A 81 4.976 5.141 -0.711 1.00 52.24 H new ATOM 1279 N LYS A 82 11.346 5.788 0.700 1.00 45.31 N ATOM 1280 CA LYS A 82 12.676 6.382 0.625 1.00 61.04 C ATOM 1281 C LYS A 82 12.671 7.615 -0.274 1.00 24.32 C ATOM 1282 O LYS A 82 12.445 7.514 -1.479 1.00 62.11 O ATOM 1283 CB LYS A 82 13.685 5.358 0.099 1.00 40.52 C ATOM 1284 CG LYS A 82 13.489 3.964 0.668 1.00 64.22 C ATOM 1285 CD LYS A 82 14.807 3.356 1.119 1.00 72.32 C ATOM 1286 CE LYS A 82 14.990 1.950 0.567 1.00 14.12 C ATOM 1287 NZ LYS A 82 15.637 1.046 1.557 1.00 20.43 N ATOM 0 H LYS A 82 11.188 5.023 0.044 1.00 45.31 H new ATOM 0 HA LYS A 82 12.968 6.688 1.630 1.00 61.04 H new ATOM 0 HB2 LYS A 82 13.610 5.312 -0.987 1.00 40.52 H new ATOM 0 HB3 LYS A 82 14.693 5.699 0.335 1.00 40.52 H new ATOM 0 HG2 LYS A 82 12.800 4.008 1.511 1.00 64.22 H new ATOM 0 HG3 LYS A 82 13.031 3.323 -0.085 1.00 64.22 H new ATOM 0 HD2 LYS A 82 15.632 3.988 0.790 1.00 72.32 H new ATOM 0 HD3 LYS A 82 14.842 3.328 2.208 1.00 72.32 H new ATOM 0 HE2 LYS A 82 14.020 1.542 0.283 1.00 14.12 H new ATOM 0 HE3 LYS A 82 15.596 1.991 -0.338 1.00 14.12 H new ATOM 0 HZ1 LYS A 82 15.744 0.098 1.143 1.00 20.43 H new ATOM 0 HZ2 LYS A 82 16.573 1.421 1.810 1.00 20.43 H new ATOM 0 HZ3 LYS A 82 15.046 0.986 2.411 1.00 20.43 H new ATOM 1301 N GLU A 83 12.924 8.776 0.321 1.00 11.35 N ATOM 1302 CA GLU A 83 12.949 10.028 -0.427 1.00 21.43 C ATOM 1303 C GLU A 83 14.074 10.022 -1.458 1.00 54.13 C ATOM 1304 O GLU A 83 13.936 10.583 -2.545 1.00 52.44 O ATOM 1305 CB GLU A 83 13.121 11.213 0.525 1.00 2.31 C ATOM 1306 CG GLU A 83 11.853 11.579 1.278 1.00 73.34 C ATOM 1307 CD GLU A 83 11.863 11.086 2.712 1.00 52.23 C ATOM 1308 OE1 GLU A 83 12.855 11.349 3.423 1.00 61.42 O ATOM 1309 OE2 GLU A 83 10.877 10.438 3.123 1.00 43.33 O ATOM 0 H GLU A 83 13.114 8.876 1.318 1.00 11.35 H new ATOM 0 HA GLU A 83 11.999 10.128 -0.951 1.00 21.43 H new ATOM 0 HB2 GLU A 83 13.906 10.979 1.244 1.00 2.31 H new ATOM 0 HB3 GLU A 83 13.458 12.079 -0.044 1.00 2.31 H new ATOM 0 HG2 GLU A 83 11.731 12.662 1.271 1.00 73.34 H new ATOM 0 HG3 GLU A 83 10.992 11.158 0.759 1.00 73.34 H new ATOM 1316 N ASP A 84 15.186 9.385 -1.109 1.00 75.31 N ATOM 1317 CA ASP A 84 16.334 9.305 -2.004 1.00 3.12 C ATOM 1318 C ASP A 84 15.948 8.654 -3.328 1.00 54.22 C ATOM 1319 O ASP A 84 16.444 9.035 -4.389 1.00 2.43 O ATOM 1320 CB ASP A 84 17.467 8.516 -1.345 1.00 40.21 C ATOM 1321 CG ASP A 84 18.564 9.416 -0.809 1.00 75.42 C ATOM 1322 OD1 ASP A 84 18.241 10.521 -0.326 1.00 74.23 O ATOM 1323 OD2 ASP A 84 19.745 9.015 -0.873 1.00 73.44 O ATOM 0 H ASP A 84 15.317 8.916 -0.212 1.00 75.31 H new ATOM 0 HA ASP A 84 16.677 10.320 -2.206 1.00 3.12 H new ATOM 0 HB2 ASP A 84 17.062 7.917 -0.530 1.00 40.21 H new ATOM 0 HB3 ASP A 84 17.892 7.822 -2.070 1.00 40.21 H new ATOM 1328 N THR A 85 15.058 7.668 -3.260 1.00 1.41 N ATOM 1329 CA THR A 85 14.606 6.963 -4.452 1.00 63.23 C ATOM 1330 C THR A 85 13.166 7.326 -4.794 1.00 11.53 C ATOM 1331 O THR A 85 12.557 6.725 -5.678 1.00 72.25 O ATOM 1332 CB THR A 85 14.710 5.436 -4.275 1.00 1.21 C ATOM 1333 OG1 THR A 85 15.846 5.113 -3.465 1.00 50.20 O ATOM 1334 CG2 THR A 85 14.828 4.741 -5.623 1.00 41.51 C ATOM 0 H THR A 85 14.636 7.340 -2.391 1.00 1.41 H new ATOM 0 HA THR A 85 15.259 7.273 -5.268 1.00 63.23 H new ATOM 0 HB THR A 85 13.802 5.087 -3.783 1.00 1.21 H new ATOM 0 HG1 THR A 85 15.904 4.141 -3.356 1.00 50.20 H new ATOM 0 HG21 THR A 85 14.900 3.664 -5.472 1.00 41.51 H new ATOM 0 HG22 THR A 85 13.948 4.965 -6.226 1.00 41.51 H new ATOM 0 HG23 THR A 85 15.721 5.096 -6.138 1.00 41.51 H new ATOM 1342 N ARG A 86 12.627 8.315 -4.087 1.00 73.34 N ATOM 1343 CA ARG A 86 11.257 8.758 -4.316 1.00 13.10 C ATOM 1344 C ARG A 86 11.137 9.489 -5.650 1.00 63.11 C ATOM 1345 O ARG A 86 11.801 10.502 -5.877 1.00 71.42 O ATOM 1346 CB ARG A 86 10.798 9.672 -3.179 1.00 15.34 C ATOM 1347 CG ARG A 86 9.368 10.165 -3.332 1.00 72.44 C ATOM 1348 CD ARG A 86 8.860 10.811 -2.053 1.00 23.33 C ATOM 1349 NE ARG A 86 8.078 12.014 -2.320 1.00 53.33 N ATOM 1350 CZ ARG A 86 8.618 13.202 -2.568 1.00 41.22 C ATOM 1351 NH1 ARG A 86 9.936 13.345 -2.583 1.00 62.51 N ATOM 1352 NH2 ARG A 86 7.839 14.251 -2.803 1.00 24.24 N ATOM 0 H ARG A 86 13.118 8.824 -3.352 1.00 73.34 H new ATOM 0 HA ARG A 86 10.617 7.876 -4.346 1.00 13.10 H new ATOM 0 HB2 ARG A 86 10.889 9.136 -2.234 1.00 15.34 H new ATOM 0 HB3 ARG A 86 11.466 10.532 -3.124 1.00 15.34 H new ATOM 0 HG2 ARG A 86 9.316 10.884 -4.149 1.00 72.44 H new ATOM 0 HG3 ARG A 86 8.721 9.330 -3.600 1.00 72.44 H new ATOM 0 HD2 ARG A 86 8.248 10.095 -1.504 1.00 23.33 H new ATOM 0 HD3 ARG A 86 9.706 11.063 -1.414 1.00 23.33 H new ATOM 0 HE ARG A 86 7.061 11.938 -2.316 1.00 53.33 H new ATOM 0 HH11 ARG A 86 10.538 12.542 -2.404 1.00 62.51 H new ATOM 0 HH12 ARG A 86 10.348 14.259 -2.774 1.00 62.51 H new ATOM 0 HH21 ARG A 86 6.825 14.145 -2.793 1.00 24.24 H new ATOM 0 HH22 ARG A 86 8.255 15.163 -2.993 1.00 24.24 H new ATOM 1366 N LEU A 87 10.288 8.969 -6.529 1.00 41.15 N ATOM 1367 CA LEU A 87 10.082 9.571 -7.842 1.00 53.40 C ATOM 1368 C LEU A 87 8.862 10.487 -7.835 1.00 73.12 C ATOM 1369 O LEU A 87 8.918 11.615 -8.324 1.00 21.30 O ATOM 1370 CB LEU A 87 9.911 8.483 -8.903 1.00 52.02 C ATOM 1371 CG LEU A 87 10.937 8.484 -10.037 1.00 54.32 C ATOM 1372 CD1 LEU A 87 10.561 7.462 -11.098 1.00 72.42 C ATOM 1373 CD2 LEU A 87 11.053 9.873 -10.649 1.00 60.45 C ATOM 0 H LEU A 87 9.731 8.132 -6.357 1.00 41.15 H new ATOM 0 HA LEU A 87 10.961 10.169 -8.082 1.00 53.40 H new ATOM 0 HB2 LEU A 87 9.947 7.512 -8.408 1.00 52.02 H new ATOM 0 HB3 LEU A 87 8.917 8.582 -9.339 1.00 52.02 H new ATOM 0 HG LEU A 87 11.907 8.208 -9.624 1.00 54.32 H new ATOM 0 HD11 LEU A 87 11.303 7.477 -11.897 1.00 72.42 H new ATOM 0 HD12 LEU A 87 10.529 6.468 -10.651 1.00 72.42 H new ATOM 0 HD13 LEU A 87 9.581 7.707 -11.508 1.00 72.42 H new ATOM 0 HD21 LEU A 87 11.787 9.856 -11.454 1.00 60.45 H new ATOM 0 HD22 LEU A 87 10.085 10.177 -11.047 1.00 60.45 H new ATOM 0 HD23 LEU A 87 11.370 10.582 -9.884 1.00 60.45 H new ATOM 1385 N GLU A 88 7.761 9.994 -7.276 1.00 61.30 N ATOM 1386 CA GLU A 88 6.528 10.769 -7.204 1.00 42.05 C ATOM 1387 C GLU A 88 5.807 10.523 -5.883 1.00 33.15 C ATOM 1388 O GLU A 88 6.220 9.684 -5.084 1.00 24.41 O ATOM 1389 CB GLU A 88 5.608 10.414 -8.374 1.00 52.22 C ATOM 1390 CG GLU A 88 4.994 11.626 -9.055 1.00 63.03 C ATOM 1391 CD GLU A 88 6.023 12.467 -9.786 1.00 53.13 C ATOM 1392 OE1 GLU A 88 6.385 12.105 -10.925 1.00 24.12 O ATOM 1393 OE2 GLU A 88 6.464 13.488 -9.219 1.00 44.40 O ATOM 0 H GLU A 88 7.698 9.062 -6.867 1.00 61.30 H new ATOM 0 HA GLU A 88 6.789 11.826 -7.264 1.00 42.05 H new ATOM 0 HB2 GLU A 88 6.174 9.842 -9.110 1.00 52.22 H new ATOM 0 HB3 GLU A 88 4.809 9.767 -8.013 1.00 52.22 H new ATOM 0 HG2 GLU A 88 4.233 11.295 -9.761 1.00 63.03 H new ATOM 0 HG3 GLU A 88 4.491 12.241 -8.309 1.00 63.03 H new ATOM 1400 N GLY A 89 4.725 11.263 -5.659 1.00 34.32 N ATOM 1401 CA GLY A 89 3.963 11.111 -4.433 1.00 11.11 C ATOM 1402 C GLY A 89 4.441 12.040 -3.334 1.00 63.44 C ATOM 1403 O GLY A 89 5.241 12.947 -3.564 1.00 12.31 O ATOM 0 H GLY A 89 4.363 11.965 -6.305 1.00 34.32 H new ATOM 0 HA2 GLY A 89 2.910 11.306 -4.637 1.00 11.11 H new ATOM 0 HA3 GLY A 89 4.036 10.079 -4.089 1.00 11.11 H new ATOM 1407 N PRO A 90 3.945 11.817 -2.108 1.00 41.13 N ATOM 1408 CA PRO A 90 2.992 10.740 -1.823 1.00 41.34 C ATOM 1409 C PRO A 90 1.621 11.002 -2.438 1.00 21.15 C ATOM 1410 O PRO A 90 1.364 12.083 -2.966 1.00 51.44 O ATOM 1411 CB PRO A 90 2.903 10.741 -0.295 1.00 75.03 C ATOM 1412 CG PRO A 90 3.267 12.129 0.105 1.00 72.02 C ATOM 1413 CD PRO A 90 4.276 12.600 -0.906 1.00 13.02 C ATOM 0 HA PRO A 90 3.314 9.788 -2.244 1.00 41.34 H new ATOM 0 HB2 PRO A 90 1.900 10.482 0.043 1.00 75.03 H new ATOM 0 HB3 PRO A 90 3.585 10.011 0.142 1.00 75.03 H new ATOM 0 HG2 PRO A 90 2.390 12.776 0.112 1.00 72.02 H new ATOM 0 HG3 PRO A 90 3.685 12.148 1.112 1.00 72.02 H new ATOM 0 HD2 PRO A 90 4.192 13.671 -1.089 1.00 13.02 H new ATOM 0 HD3 PRO A 90 5.297 12.412 -0.573 1.00 13.02 H new ATOM 1421 N TRP A 91 0.745 10.006 -2.363 1.00 44.44 N ATOM 1422 CA TRP A 91 -0.600 10.130 -2.912 1.00 73.03 C ATOM 1423 C TRP A 91 -1.623 9.455 -2.004 1.00 44.33 C ATOM 1424 O TRP A 91 -1.449 8.303 -1.609 1.00 40.10 O ATOM 1425 CB TRP A 91 -0.660 9.517 -4.312 1.00 54.34 C ATOM 1426 CG TRP A 91 -0.018 10.372 -5.363 1.00 25.42 C ATOM 1427 CD1 TRP A 91 -0.061 11.734 -5.451 1.00 74.32 C ATOM 1428 CD2 TRP A 91 0.764 9.920 -6.475 1.00 14.35 C ATOM 1429 NE1 TRP A 91 0.645 12.156 -6.551 1.00 44.42 N ATOM 1430 CE2 TRP A 91 1.162 11.063 -7.195 1.00 50.31 C ATOM 1431 CE3 TRP A 91 1.167 8.662 -6.930 1.00 40.44 C ATOM 1432 CZ2 TRP A 91 1.942 10.983 -8.346 1.00 1.15 C ATOM 1433 CZ3 TRP A 91 1.941 8.585 -8.072 1.00 70.45 C ATOM 1434 CH2 TRP A 91 2.323 9.739 -8.769 1.00 73.22 C ATOM 0 H TRP A 91 0.942 9.105 -1.928 1.00 44.44 H new ATOM 0 HA TRP A 91 -0.843 11.191 -2.977 1.00 73.03 H new ATOM 0 HB2 TRP A 91 -0.169 8.544 -4.296 1.00 54.34 H new ATOM 0 HB3 TRP A 91 -1.702 9.344 -4.581 1.00 54.34 H new ATOM 0 HD1 TRP A 91 -0.575 12.384 -4.758 1.00 74.32 H new ATOM 0 HE1 TRP A 91 0.765 13.126 -6.841 1.00 44.42 H new ATOM 0 HE3 TRP A 91 0.879 7.767 -6.399 1.00 40.44 H new ATOM 0 HZ2 TRP A 91 2.236 11.871 -8.885 1.00 1.15 H new ATOM 0 HZ3 TRP A 91 2.257 7.618 -8.434 1.00 70.45 H new ATOM 0 HH2 TRP A 91 2.930 9.645 -9.657 1.00 73.22 H new ATOM 1445 N GLU A 92 -2.688 10.181 -1.678 1.00 61.51 N ATOM 1446 CA GLU A 92 -3.737 9.650 -0.816 1.00 13.13 C ATOM 1447 C GLU A 92 -5.069 9.585 -1.557 1.00 75.51 C ATOM 1448 O GLU A 92 -5.437 10.512 -2.279 1.00 63.22 O ATOM 1449 CB GLU A 92 -3.882 10.513 0.439 1.00 4.25 C ATOM 1450 CG GLU A 92 -2.799 10.266 1.476 1.00 24.11 C ATOM 1451 CD GLU A 92 -2.959 11.138 2.706 1.00 23.55 C ATOM 1452 OE1 GLU A 92 -3.244 12.343 2.548 1.00 75.45 O ATOM 1453 OE2 GLU A 92 -2.798 10.614 3.829 1.00 72.42 O ATOM 0 H GLU A 92 -2.847 11.137 -1.997 1.00 61.51 H new ATOM 0 HA GLU A 92 -3.454 8.639 -0.523 1.00 13.13 H new ATOM 0 HB2 GLU A 92 -3.864 11.564 0.151 1.00 4.25 H new ATOM 0 HB3 GLU A 92 -4.856 10.322 0.890 1.00 4.25 H new ATOM 0 HG2 GLU A 92 -2.819 9.218 1.774 1.00 24.11 H new ATOM 0 HG3 GLU A 92 -1.823 10.452 1.028 1.00 24.11 H new ATOM 1460 N TYR A 93 -5.788 8.483 -1.374 1.00 31.43 N ATOM 1461 CA TYR A 93 -7.078 8.294 -2.027 1.00 21.41 C ATOM 1462 C TYR A 93 -8.064 7.596 -1.094 1.00 42.54 C ATOM 1463 O TYR A 93 -7.668 6.929 -0.140 1.00 64.01 O ATOM 1464 CB TYR A 93 -6.909 7.478 -3.310 1.00 43.51 C ATOM 1465 CG TYR A 93 -6.034 8.151 -4.344 1.00 24.24 C ATOM 1466 CD1 TYR A 93 -6.522 9.191 -5.125 1.00 60.44 C ATOM 1467 CD2 TYR A 93 -4.719 7.746 -4.539 1.00 70.12 C ATOM 1468 CE1 TYR A 93 -5.726 9.808 -6.071 1.00 74.55 C ATOM 1469 CE2 TYR A 93 -3.916 8.358 -5.482 1.00 2.02 C ATOM 1470 CZ TYR A 93 -4.424 9.388 -6.246 1.00 10.04 C ATOM 1471 OH TYR A 93 -3.628 9.999 -7.187 1.00 4.44 O ATOM 0 H TYR A 93 -5.499 7.707 -0.779 1.00 31.43 H new ATOM 0 HA TYR A 93 -7.477 9.277 -2.279 1.00 21.41 H new ATOM 0 HB2 TYR A 93 -6.481 6.507 -3.060 1.00 43.51 H new ATOM 0 HB3 TYR A 93 -7.891 7.291 -3.744 1.00 43.51 H new ATOM 0 HD1 TYR A 93 -7.541 9.523 -4.990 1.00 60.44 H new ATOM 0 HD2 TYR A 93 -4.318 6.939 -3.943 1.00 70.12 H new ATOM 0 HE1 TYR A 93 -6.121 10.615 -6.670 1.00 74.55 H new ATOM 0 HE2 TYR A 93 -2.896 8.032 -5.620 1.00 2.02 H new ATOM 0 HH TYR A 93 -2.740 9.585 -7.182 1.00 4.44 H new ATOM 1481 N GLY A 94 -9.353 7.757 -1.380 1.00 23.25 N ATOM 1482 CA GLY A 94 -10.377 7.137 -0.559 1.00 4.22 C ATOM 1483 C GLY A 94 -10.952 8.092 0.469 1.00 72.43 C ATOM 1484 O GLY A 94 -10.999 9.300 0.244 1.00 54.33 O ATOM 0 H GLY A 94 -9.706 8.305 -2.165 1.00 23.25 H new ATOM 0 HA2 GLY A 94 -11.180 6.771 -1.199 1.00 4.22 H new ATOM 0 HA3 GLY A 94 -9.955 6.271 -0.050 1.00 4.22 H new ATOM 1488 N GLU A 95 -11.392 7.547 1.599 1.00 53.12 N ATOM 1489 CA GLU A 95 -11.970 8.359 2.663 1.00 50.50 C ATOM 1490 C GLU A 95 -11.042 9.513 3.032 1.00 42.24 C ATOM 1491 O GLU A 95 -11.482 10.652 3.187 1.00 34.51 O ATOM 1492 CB GLU A 95 -12.248 7.500 3.898 1.00 61.53 C ATOM 1493 CG GLU A 95 -12.641 8.305 5.125 1.00 50.24 C ATOM 1494 CD GLU A 95 -13.633 7.575 6.009 1.00 62.30 C ATOM 1495 OE1 GLU A 95 -13.203 6.691 6.779 1.00 11.03 O ATOM 1496 OE2 GLU A 95 -14.839 7.888 5.930 1.00 34.43 O ATOM 0 H GLU A 95 -11.359 6.548 1.801 1.00 53.12 H new ATOM 0 HA GLU A 95 -12.910 8.773 2.298 1.00 50.50 H new ATOM 0 HB2 GLU A 95 -13.046 6.794 3.667 1.00 61.53 H new ATOM 0 HB3 GLU A 95 -11.359 6.913 4.129 1.00 61.53 H new ATOM 0 HG2 GLU A 95 -11.747 8.538 5.704 1.00 50.24 H new ATOM 0 HG3 GLU A 95 -13.072 9.255 4.809 1.00 50.24 H new TER 1503 GLU A 95