USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 721 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 1 MET N :NH3+ -177:sc= 1.21 (180deg=1.17) USER MOD Set 1.2: A 3 THR OG1 : rot 180:sc= 0.101 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= 1.17 K(o=1.2,f=-1.6!) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -2.79! C(o=-2.8!,f=-13!) USER MOD Single : A 17 MET CE :methyl 133:sc= -0.115 (180deg=-0.926) USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot 65:sc= 0.99 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl 141:sc= -1.18 (180deg=-4!) USER MOD Single : A 31 THR OG1 : rot -73:sc= 1.11 USER MOD Single : A 34 SER OG : rot 180:sc= 0.00376 USER MOD Single : A 36 LYS NZ :NH3+ -154:sc= 0.799 (180deg=0.687) USER MOD Single : A 38 MET CE :methyl -150:sc= -4.69! (180deg=-9.11!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -2.85 X(o=-2.9,f=-2.9!) USER MOD Single : A 51 GLN :FLIP amide:sc= -0.768 F(o=-2.7!,f=-0.77) USER MOD Single : A 56 GLN : amide:sc= -0.554 K(o=-0.55,f=-3.4!) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.91!) USER MOD Single : A 64 THR OG1 : rot 92:sc= 0.137 USER MOD Single : A 66 HIS : no HE2:sc= -1.08 K(o=-1.1,f=-2.8) USER MOD Single : A 67 SER OG : rot -139:sc= 0.883 USER MOD Single : A 68 HIS : no HD1:sc= -12.5! C(o=-13!,f=-22!) USER MOD Single : A 72 GLN : amide:sc= -0.417 X(o=-0.42,f=-0.17) USER MOD Single : A 73 ASN : amide:sc= 0.509! C(o=0.51!,f=-12!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot -6:sc= 1.09 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= -0.466 USER MOD Single : A 86 ASN : amide:sc= -1.1 K(o=-1.1,f=-7.3!) USER MOD Single : A 87 THR OG1 : rot -29:sc= 0.668 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= 0.0248! C(o=0.025!,f=-9.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.706 -2.423 -0.890 1.00 3.24 N ATOM 2 CA MET A 1 1.606 -3.281 -1.406 1.00 12.54 C ATOM 3 C MET A 1 2.042 -3.870 -2.744 1.00 41.00 C ATOM 4 O MET A 1 2.485 -5.013 -2.787 1.00 41.40 O ATOM 5 CB MET A 1 0.296 -2.479 -1.526 1.00 64.21 C ATOM 6 CG MET A 1 -0.533 -2.647 -0.248 1.00 31.12 C ATOM 7 SD MET A 1 0.561 -2.585 1.197 1.00 74.30 S ATOM 8 CE MET A 1 -0.245 -1.202 2.043 1.00 21.22 C ATOM 0 H1 MET A 1 2.447 -2.053 0.047 1.00 3.24 H new ATOM 0 H2 MET A 1 3.577 -2.985 -0.811 1.00 3.24 H new ATOM 0 H3 MET A 1 2.864 -1.630 -1.544 1.00 3.24 H new ATOM 0 HA MET A 1 1.406 -4.095 -0.710 1.00 12.54 H new ATOM 0 HB2 MET A 1 0.518 -1.425 -1.691 1.00 64.21 H new ATOM 0 HB3 MET A 1 -0.274 -2.823 -2.389 1.00 64.21 H new ATOM 0 HG2 MET A 1 -1.284 -1.859 -0.183 1.00 31.12 H new ATOM 0 HG3 MET A 1 -1.068 -3.596 -0.271 1.00 31.12 H new ATOM 0 HE1 MET A 1 0.278 -0.991 2.976 1.00 21.22 H new ATOM 0 HE2 MET A 1 -0.218 -0.319 1.404 1.00 21.22 H new ATOM 0 HE3 MET A 1 -1.281 -1.462 2.259 1.00 21.22 H new ATOM 20 N PRO A 2 2.096 -3.081 -3.808 1.00 54.43 N ATOM 21 CA PRO A 2 2.738 -3.543 -5.075 1.00 61.14 C ATOM 22 C PRO A 2 4.218 -3.725 -4.804 1.00 54.42 C ATOM 23 O PRO A 2 4.861 -4.659 -5.282 1.00 70.24 O ATOM 24 CB PRO A 2 2.504 -2.380 -6.044 1.00 31.13 C ATOM 25 CG PRO A 2 2.301 -1.187 -5.170 1.00 35.04 C ATOM 26 CD PRO A 2 1.575 -1.703 -3.928 1.00 21.25 C ATOM 0 HA PRO A 2 2.348 -4.483 -5.466 1.00 61.14 H new ATOM 0 HB2 PRO A 2 3.357 -2.242 -6.709 1.00 31.13 H new ATOM 0 HB3 PRO A 2 1.634 -2.560 -6.675 1.00 31.13 H new ATOM 0 HG2 PRO A 2 3.254 -0.729 -4.905 1.00 35.04 H new ATOM 0 HG3 PRO A 2 1.712 -0.424 -5.679 1.00 35.04 H new ATOM 0 HD2 PRO A 2 1.802 -1.104 -3.046 1.00 21.25 H new ATOM 0 HD3 PRO A 2 0.492 -1.687 -4.054 1.00 21.25 H new ATOM 34 N THR A 3 4.685 -2.898 -3.893 1.00 60.23 N ATOM 35 CA THR A 3 6.013 -2.957 -3.360 1.00 34.02 C ATOM 36 C THR A 3 5.942 -3.712 -2.041 1.00 24.54 C ATOM 37 O THR A 3 4.974 -3.521 -1.269 1.00 23.13 O ATOM 38 CB THR A 3 6.480 -1.525 -3.136 1.00 41.34 C ATOM 39 OG1 THR A 3 5.381 -0.772 -2.606 1.00 64.32 O ATOM 40 CG2 THR A 3 6.893 -0.921 -4.484 1.00 33.11 C ATOM 0 H THR A 3 4.125 -2.144 -3.495 1.00 60.23 H new ATOM 0 HA THR A 3 6.709 -3.463 -4.029 1.00 34.02 H new ATOM 0 HB THR A 3 7.324 -1.503 -2.447 1.00 41.34 H new ATOM 0 HG1 THR A 3 5.663 0.154 -2.453 1.00 64.32 H new ATOM 0 HG21 THR A 3 7.229 0.105 -4.335 1.00 33.11 H new ATOM 0 HG22 THR A 3 7.703 -1.510 -4.914 1.00 33.11 H new ATOM 0 HG23 THR A 3 6.040 -0.928 -5.163 1.00 33.11 H new ATOM 48 N GLN A 4 6.821 -4.692 -1.864 1.00 24.52 N ATOM 49 CA GLN A 4 6.700 -5.605 -0.733 1.00 33.21 C ATOM 50 C GLN A 4 8.047 -6.024 -0.190 1.00 75.12 C ATOM 51 O GLN A 4 9.041 -6.050 -0.917 1.00 45.13 O ATOM 52 CB GLN A 4 5.957 -6.869 -1.174 1.00 50.20 C ATOM 53 CG GLN A 4 4.534 -6.514 -1.597 1.00 63.15 C ATOM 54 CD GLN A 4 3.818 -7.743 -2.134 1.00 61.42 C ATOM 55 OE1 GLN A 4 4.336 -8.865 -2.039 1.00 73.13 O ATOM 56 NE2 GLN A 4 2.674 -7.607 -2.715 1.00 13.31 N ATOM 0 H GLN A 4 7.614 -4.874 -2.479 1.00 24.52 H new ATOM 0 HA GLN A 4 6.157 -5.075 0.050 1.00 33.21 H new ATOM 0 HB2 GLN A 4 6.485 -7.341 -2.002 1.00 50.20 H new ATOM 0 HB3 GLN A 4 5.934 -7.591 -0.358 1.00 50.20 H new ATOM 0 HG2 GLN A 4 3.986 -6.108 -0.747 1.00 63.15 H new ATOM 0 HG3 GLN A 4 4.558 -5.737 -2.361 1.00 63.15 H new ATOM 0 HE21 GLN A 4 2.248 -6.683 -2.793 1.00 13.31 H new ATOM 0 HE22 GLN A 4 2.195 -8.423 -3.096 1.00 13.31 H new ATOM 65 N ASP A 5 8.001 -6.568 1.010 1.00 70.34 N ATOM 66 CA ASP A 5 9.111 -7.292 1.603 1.00 52.01 C ATOM 67 C ASP A 5 8.663 -8.721 1.789 1.00 14.04 C ATOM 68 O ASP A 5 7.460 -8.988 1.817 1.00 34.30 O ATOM 69 CB ASP A 5 9.515 -6.708 2.965 1.00 72.04 C ATOM 70 CG ASP A 5 10.513 -5.569 2.815 1.00 32.43 C ATOM 71 OD1 ASP A 5 10.674 -5.070 1.719 1.00 63.22 O ATOM 72 OD2 ASP A 5 11.101 -5.202 3.805 1.00 71.24 O ATOM 0 H ASP A 5 7.178 -6.519 1.611 1.00 70.34 H new ATOM 0 HA ASP A 5 9.980 -7.218 0.949 1.00 52.01 H new ATOM 0 HB2 ASP A 5 8.627 -6.348 3.484 1.00 72.04 H new ATOM 0 HB3 ASP A 5 9.949 -7.493 3.583 1.00 72.04 H new ATOM 77 N ILE A 6 9.596 -9.628 1.927 1.00 61.21 N ATOM 78 CA ILE A 6 9.268 -11.029 2.090 1.00 73.32 C ATOM 79 C ILE A 6 9.894 -11.577 3.360 1.00 11.45 C ATOM 80 O ILE A 6 10.795 -10.959 3.939 1.00 13.11 O ATOM 81 CB ILE A 6 9.741 -11.830 0.870 1.00 22.15 C ATOM 82 CG1 ILE A 6 11.266 -11.745 0.737 1.00 42.14 C ATOM 83 CG2 ILE A 6 9.106 -11.246 -0.394 1.00 61.31 C ATOM 84 CD1 ILE A 6 11.728 -12.707 -0.354 1.00 10.12 C ATOM 0 H ILE A 6 10.595 -9.424 1.930 1.00 61.21 H new ATOM 0 HA ILE A 6 8.185 -11.126 2.171 1.00 73.32 H new ATOM 0 HB ILE A 6 9.446 -12.872 0.998 1.00 22.15 H new ATOM 0 HG12 ILE A 6 11.566 -10.726 0.491 1.00 42.14 H new ATOM 0 HG13 ILE A 6 11.741 -11.997 1.685 1.00 42.14 H new ATOM 0 HG21 ILE A 6 9.439 -11.812 -1.264 1.00 61.31 H new ATOM 0 HG22 ILE A 6 8.020 -11.306 -0.317 1.00 61.31 H new ATOM 0 HG23 ILE A 6 9.405 -10.204 -0.503 1.00 61.31 H new ATOM 0 HD11 ILE A 6 12.812 -12.651 -0.453 1.00 10.12 H new ATOM 0 HD12 ILE A 6 11.440 -13.724 -0.088 1.00 10.12 H new ATOM 0 HD13 ILE A 6 11.262 -12.434 -1.301 1.00 10.12 H new ATOM 96 N ARG A 7 9.368 -12.692 3.832 1.00 43.32 N ATOM 97 CA ARG A 7 9.838 -13.271 5.078 1.00 44.44 C ATOM 98 C ARG A 7 10.969 -14.247 4.822 1.00 14.40 C ATOM 99 O ARG A 7 10.792 -15.238 4.106 1.00 73.14 O ATOM 100 CB ARG A 7 8.710 -14.014 5.795 1.00 13.53 C ATOM 101 CG ARG A 7 7.534 -13.070 6.055 1.00 74.33 C ATOM 102 CD ARG A 7 6.440 -13.830 6.798 1.00 62.21 C ATOM 103 NE ARG A 7 5.895 -14.899 5.965 1.00 62.41 N ATOM 104 CZ ARG A 7 4.991 -15.752 6.432 1.00 20.20 C ATOM 105 NH1 ARG A 7 4.579 -15.660 7.669 1.00 41.23 N ATOM 106 NH2 ARG A 7 4.523 -16.674 5.651 1.00 33.44 N ATOM 0 H ARG A 7 8.619 -13.213 3.375 1.00 43.32 H new ATOM 0 HA ARG A 7 10.191 -12.451 5.704 1.00 44.44 H new ATOM 0 HB2 ARG A 7 8.380 -14.859 5.191 1.00 13.53 H new ATOM 0 HB3 ARG A 7 9.075 -14.420 6.738 1.00 13.53 H new ATOM 0 HG2 ARG A 7 7.862 -12.213 6.643 1.00 74.33 H new ATOM 0 HG3 ARG A 7 7.148 -12.681 5.113 1.00 74.33 H new ATOM 0 HD2 ARG A 7 6.844 -14.250 7.719 1.00 62.21 H new ATOM 0 HD3 ARG A 7 5.643 -13.143 7.084 1.00 62.21 H new ATOM 0 HE ARG A 7 6.217 -14.992 5.002 1.00 62.41 H new ATOM 0 HH11 ARG A 7 4.952 -14.932 8.278 1.00 41.23 H new ATOM 0 HH12 ARG A 7 3.884 -16.316 8.025 1.00 41.23 H new ATOM 0 HH21 ARG A 7 4.849 -16.740 4.687 1.00 33.44 H new ATOM 0 HH22 ARG A 7 3.828 -17.334 6.000 1.00 33.44 H new ATOM 120 N LEU A 8 12.057 -14.050 5.530 1.00 14.31 N ATOM 121 CA LEU A 8 13.181 -14.964 5.523 1.00 32.33 C ATOM 122 C LEU A 8 13.297 -15.587 6.902 1.00 71.45 C ATOM 123 O LEU A 8 13.389 -14.865 7.906 1.00 32.14 O ATOM 124 CB LEU A 8 14.473 -14.196 5.174 1.00 51.41 C ATOM 125 CG LEU A 8 15.671 -15.154 4.975 1.00 41.23 C ATOM 126 CD1 LEU A 8 16.267 -15.542 6.329 1.00 43.15 C ATOM 127 CD2 LEU A 8 15.249 -16.417 4.216 1.00 70.54 C ATOM 0 H LEU A 8 12.190 -13.240 6.136 1.00 14.31 H new ATOM 0 HA LEU A 8 13.031 -15.744 4.776 1.00 32.33 H new ATOM 0 HB2 LEU A 8 14.317 -13.615 4.265 1.00 51.41 H new ATOM 0 HB3 LEU A 8 14.702 -13.488 5.970 1.00 51.41 H new ATOM 0 HG LEU A 8 16.423 -14.632 4.384 1.00 41.23 H new ATOM 0 HD11 LEU A 8 17.109 -16.217 6.176 1.00 43.15 H new ATOM 0 HD12 LEU A 8 16.609 -14.646 6.846 1.00 43.15 H new ATOM 0 HD13 LEU A 8 15.508 -16.041 6.931 1.00 43.15 H new ATOM 0 HD21 LEU A 8 16.112 -17.072 4.091 1.00 70.54 H new ATOM 0 HD22 LEU A 8 14.476 -16.939 4.780 1.00 70.54 H new ATOM 0 HD23 LEU A 8 14.859 -16.140 3.237 1.00 70.54 H new ATOM 139 N TRP A 9 13.229 -16.904 6.971 1.00 31.14 N ATOM 140 CA TRP A 9 13.296 -17.582 8.255 1.00 63.14 C ATOM 141 C TRP A 9 14.701 -18.065 8.523 1.00 61.44 C ATOM 142 O TRP A 9 15.328 -18.670 7.652 1.00 73.50 O ATOM 143 CB TRP A 9 12.349 -18.780 8.290 1.00 41.11 C ATOM 144 CG TRP A 9 10.964 -18.397 7.869 1.00 41.10 C ATOM 145 CD1 TRP A 9 10.383 -17.180 8.023 1.00 3.20 C ATOM 146 CD2 TRP A 9 9.983 -19.233 7.232 1.00 21.14 C ATOM 147 NE1 TRP A 9 9.092 -17.242 7.532 1.00 72.32 N ATOM 148 CE2 TRP A 9 8.802 -18.486 7.026 1.00 32.42 C ATOM 149 CE3 TRP A 9 10.006 -20.564 6.818 1.00 61.33 C ATOM 150 CZ2 TRP A 9 7.681 -19.048 6.430 1.00 2.34 C ATOM 151 CZ3 TRP A 9 8.893 -21.137 6.216 1.00 53.55 C ATOM 152 CH2 TRP A 9 7.725 -20.381 6.020 1.00 21.20 C ATOM 0 H TRP A 9 13.129 -17.520 6.164 1.00 31.14 H new ATOM 0 HA TRP A 9 12.999 -16.866 9.021 1.00 63.14 H new ATOM 0 HB2 TRP A 9 12.727 -19.563 7.633 1.00 41.11 H new ATOM 0 HB3 TRP A 9 12.323 -19.195 9.298 1.00 41.11 H new ATOM 0 HD1 TRP A 9 10.851 -16.309 8.457 1.00 3.20 H new ATOM 0 HE1 TRP A 9 8.436 -16.461 7.544 1.00 72.32 H new ATOM 0 HE3 TRP A 9 10.898 -21.155 6.967 1.00 61.33 H new ATOM 0 HZ2 TRP A 9 6.786 -18.461 6.286 1.00 2.34 H new ATOM 0 HZ3 TRP A 9 8.926 -22.168 5.897 1.00 53.55 H new ATOM 0 HH2 TRP A 9 6.862 -20.831 5.552 1.00 21.20 H new ATOM 163 N VAL A 10 15.173 -17.862 9.737 1.00 73.13 N ATOM 164 CA VAL A 10 16.495 -18.325 10.108 1.00 21.41 C ATOM 165 C VAL A 10 16.420 -19.241 11.323 1.00 54.12 C ATOM 166 O VAL A 10 15.889 -18.855 12.375 1.00 12.11 O ATOM 167 CB VAL A 10 17.424 -17.133 10.399 1.00 41.13 C ATOM 168 CG1 VAL A 10 18.885 -17.564 10.254 1.00 72.42 C ATOM 169 CG2 VAL A 10 17.133 -15.985 9.422 1.00 2.31 C ATOM 0 H VAL A 10 14.664 -17.382 10.480 1.00 73.13 H new ATOM 0 HA VAL A 10 16.905 -18.890 9.271 1.00 21.41 H new ATOM 0 HB VAL A 10 17.245 -16.791 11.418 1.00 41.13 H new ATOM 0 HG11 VAL A 10 19.537 -16.715 10.461 1.00 72.42 H new ATOM 0 HG12 VAL A 10 19.099 -18.367 10.959 1.00 72.42 H new ATOM 0 HG13 VAL A 10 19.061 -17.917 9.238 1.00 72.42 H new ATOM 0 HG21 VAL A 10 17.796 -15.147 9.637 1.00 2.31 H new ATOM 0 HG22 VAL A 10 17.299 -16.326 8.400 1.00 2.31 H new ATOM 0 HG23 VAL A 10 16.097 -15.666 9.534 1.00 2.31 H new ATOM 179 N SER A 11 17.010 -20.416 11.201 1.00 71.44 N ATOM 180 CA SER A 11 17.093 -21.348 12.312 1.00 32.15 C ATOM 181 C SER A 11 18.411 -21.133 13.033 1.00 55.14 C ATOM 182 O SER A 11 19.475 -21.144 12.400 1.00 33.30 O ATOM 183 CB SER A 11 17.001 -22.783 11.796 1.00 73.42 C ATOM 184 OG SER A 11 15.951 -22.866 10.832 1.00 53.13 O ATOM 0 H SER A 11 17.441 -20.749 10.339 1.00 71.44 H new ATOM 0 HA SER A 11 16.267 -21.176 13.002 1.00 32.15 H new ATOM 0 HB2 SER A 11 17.948 -23.083 11.347 1.00 73.42 H new ATOM 0 HB3 SER A 11 16.809 -23.468 12.622 1.00 73.42 H new ATOM 0 HG SER A 11 15.888 -23.784 10.495 1.00 53.13 H new ATOM 190 N VAL A 12 18.340 -20.826 14.316 1.00 44.50 N ATOM 191 CA VAL A 12 19.520 -20.480 15.078 1.00 65.33 C ATOM 192 C VAL A 12 19.827 -21.563 16.104 1.00 31.54 C ATOM 193 O VAL A 12 18.978 -21.887 16.944 1.00 45.10 O ATOM 194 CB VAL A 12 19.262 -19.152 15.799 1.00 22.42 C ATOM 195 CG1 VAL A 12 20.541 -18.635 16.450 1.00 53.10 C ATOM 196 CG2 VAL A 12 18.709 -18.110 14.813 1.00 44.14 C ATOM 0 H VAL A 12 17.472 -20.810 14.851 1.00 44.50 H new ATOM 0 HA VAL A 12 20.373 -20.389 14.405 1.00 65.33 H new ATOM 0 HB VAL A 12 18.523 -19.324 16.581 1.00 22.42 H new ATOM 0 HG11 VAL A 12 20.336 -17.692 16.956 1.00 53.10 H new ATOM 0 HG12 VAL A 12 20.901 -19.365 17.175 1.00 53.10 H new ATOM 0 HG13 VAL A 12 21.301 -18.478 15.685 1.00 53.10 H new ATOM 0 HG21 VAL A 12 18.530 -17.172 15.338 1.00 44.14 H new ATOM 0 HG22 VAL A 12 19.431 -17.947 14.013 1.00 44.14 H new ATOM 0 HG23 VAL A 12 17.773 -18.472 14.388 1.00 44.14 H new ATOM 206 N GLU A 13 21.061 -22.060 16.076 1.00 65.32 N ATOM 207 CA GLU A 13 21.530 -23.055 17.039 1.00 15.40 C ATOM 208 C GLU A 13 22.855 -22.612 17.654 1.00 23.23 C ATOM 209 O GLU A 13 23.831 -22.367 16.923 1.00 42.34 O ATOM 210 CB GLU A 13 21.732 -24.397 16.336 1.00 20.03 C ATOM 211 CG GLU A 13 20.378 -24.972 15.892 1.00 1.01 C ATOM 212 CD GLU A 13 20.578 -26.247 15.091 1.00 64.42 C ATOM 213 OE1 GLU A 13 21.710 -26.656 14.924 1.00 14.21 O ATOM 214 OE2 GLU A 13 19.603 -26.796 14.650 1.00 34.31 O ATOM 0 H GLU A 13 21.762 -21.786 15.388 1.00 65.32 H new ATOM 0 HA GLU A 13 20.783 -23.157 17.826 1.00 15.40 H new ATOM 0 HB2 GLU A 13 22.382 -24.268 15.471 1.00 20.03 H new ATOM 0 HB3 GLU A 13 22.230 -25.096 17.008 1.00 20.03 H new ATOM 0 HG2 GLU A 13 19.760 -25.178 16.766 1.00 1.01 H new ATOM 0 HG3 GLU A 13 19.844 -24.237 15.290 1.00 1.01 H new ATOM 221 N ASP A 14 22.912 -22.558 18.984 1.00 22.33 N ATOM 222 CA ASP A 14 24.147 -22.183 19.682 1.00 31.53 C ATOM 223 C ASP A 14 24.950 -23.416 20.085 1.00 2.03 C ATOM 224 O ASP A 14 24.477 -24.548 19.957 1.00 12.43 O ATOM 225 CB ASP A 14 23.848 -21.292 20.910 1.00 1.42 C ATOM 226 CG ASP A 14 24.397 -21.917 22.176 1.00 22.13 C ATOM 227 OD1 ASP A 14 23.715 -22.736 22.750 1.00 24.52 O ATOM 228 OD2 ASP A 14 25.513 -21.587 22.544 1.00 34.20 O ATOM 0 H ASP A 14 22.125 -22.767 19.599 1.00 22.33 H new ATOM 0 HA ASP A 14 24.753 -21.602 18.987 1.00 31.53 H new ATOM 0 HB2 ASP A 14 24.289 -20.306 20.765 1.00 1.42 H new ATOM 0 HB3 ASP A 14 22.772 -21.149 21.007 1.00 1.42 H new ATOM 233 N ALA A 15 26.140 -23.183 20.615 1.00 64.23 N ATOM 234 CA ALA A 15 27.022 -24.254 21.058 1.00 62.10 C ATOM 235 C ALA A 15 26.403 -25.062 22.187 1.00 0.30 C ATOM 236 O ALA A 15 26.489 -26.297 22.192 1.00 4.10 O ATOM 237 CB ALA A 15 28.356 -23.681 21.521 1.00 72.21 C ATOM 0 H ALA A 15 26.523 -22.247 20.751 1.00 64.23 H new ATOM 0 HA ALA A 15 27.179 -24.918 20.208 1.00 62.10 H new ATOM 0 HB1 ALA A 15 29.006 -24.492 21.850 1.00 72.21 H new ATOM 0 HB2 ALA A 15 28.829 -23.148 20.696 1.00 72.21 H new ATOM 0 HB3 ALA A 15 28.188 -22.992 22.349 1.00 72.21 H new ATOM 243 N GLN A 16 25.746 -24.382 23.126 1.00 3.31 N ATOM 244 CA GLN A 16 25.100 -25.082 24.237 1.00 70.51 C ATOM 245 C GLN A 16 23.754 -25.644 23.808 1.00 44.44 C ATOM 246 O GLN A 16 22.951 -26.064 24.649 1.00 43.52 O ATOM 247 CB GLN A 16 24.922 -24.196 25.496 1.00 25.04 C ATOM 248 CG GLN A 16 25.726 -22.893 25.410 1.00 60.51 C ATOM 249 CD GLN A 16 27.205 -23.142 25.117 1.00 52.33 C ATOM 250 OE1 GLN A 16 27.914 -22.212 24.719 1.00 42.31 O ATOM 251 NE2 GLN A 16 27.719 -24.321 25.291 1.00 32.13 N ATOM 0 H GLN A 16 25.647 -23.367 23.142 1.00 3.31 H new ATOM 0 HA GLN A 16 25.769 -25.897 24.511 1.00 70.51 H new ATOM 0 HB2 GLN A 16 23.866 -23.960 25.625 1.00 25.04 H new ATOM 0 HB3 GLN A 16 25.234 -24.755 26.378 1.00 25.04 H new ATOM 0 HG2 GLN A 16 25.305 -22.260 24.629 1.00 60.51 H new ATOM 0 HG3 GLN A 16 25.631 -22.347 26.349 1.00 60.51 H new ATOM 0 HE21 GLN A 16 27.134 -25.089 25.620 1.00 32.13 H new ATOM 0 HE22 GLN A 16 28.708 -24.479 25.099 1.00 32.13 H new ATOM 260 N MET A 17 23.482 -25.577 22.512 1.00 5.31 N ATOM 261 CA MET A 17 22.224 -26.045 21.935 1.00 12.12 C ATOM 262 C MET A 17 21.080 -25.081 22.189 1.00 54.32 C ATOM 263 O MET A 17 19.900 -25.449 22.036 1.00 30.13 O ATOM 264 CB MET A 17 21.858 -27.464 22.404 1.00 21.12 C ATOM 265 CG MET A 17 22.865 -28.466 21.835 1.00 2.23 C ATOM 266 SD MET A 17 22.466 -30.124 22.434 1.00 25.23 S ATOM 267 CE MET A 17 20.934 -30.353 21.496 1.00 74.04 C ATOM 0 H MET A 17 24.131 -25.194 21.825 1.00 5.31 H new ATOM 0 HA MET A 17 22.386 -26.086 20.858 1.00 12.12 H new ATOM 0 HB2 MET A 17 21.859 -27.510 23.493 1.00 21.12 H new ATOM 0 HB3 MET A 17 20.850 -27.718 22.075 1.00 21.12 H new ATOM 0 HG2 MET A 17 22.840 -28.445 20.745 1.00 2.23 H new ATOM 0 HG3 MET A 17 23.876 -28.192 22.136 1.00 2.23 H new ATOM 0 HE1 MET A 17 20.940 -31.335 21.023 1.00 74.04 H new ATOM 0 HE2 MET A 17 20.080 -30.281 22.170 1.00 74.04 H new ATOM 0 HE3 MET A 17 20.858 -29.581 20.730 1.00 74.04 H new ATOM 277 N HIS A 18 21.397 -23.817 22.434 1.00 43.51 N ATOM 278 CA HIS A 18 20.344 -22.828 22.522 1.00 22.43 C ATOM 279 C HIS A 18 19.786 -22.676 21.126 1.00 34.12 C ATOM 280 O HIS A 18 20.537 -22.380 20.193 1.00 31.44 O ATOM 281 CB HIS A 18 20.899 -21.483 23.009 1.00 70.50 C ATOM 282 CG HIS A 18 19.910 -20.830 23.929 1.00 40.41 C ATOM 283 ND1 HIS A 18 18.676 -20.360 23.496 1.00 0.13 N ATOM 284 CD2 HIS A 18 19.966 -20.559 25.271 1.00 21.11 C ATOM 285 CE1 HIS A 18 18.050 -19.835 24.570 1.00 21.41 C ATOM 286 NE2 HIS A 18 18.796 -19.931 25.675 1.00 74.45 N ATOM 0 H HIS A 18 22.344 -23.464 22.571 1.00 43.51 H new ATOM 0 HA HIS A 18 19.578 -23.141 23.232 1.00 22.43 H new ATOM 0 HB2 HIS A 18 21.846 -21.636 23.527 1.00 70.50 H new ATOM 0 HB3 HIS A 18 21.102 -20.833 22.158 1.00 70.50 H new ATOM 0 HD2 HIS A 18 20.797 -20.798 25.918 1.00 21.11 H new ATOM 0 HE1 HIS A 18 17.066 -19.391 24.540 1.00 21.41 H new ATOM 0 HE2 HIS A 18 18.557 -19.611 26.614 1.00 74.45 H new ATOM 295 N THR A 19 18.537 -23.061 20.945 1.00 71.41 N ATOM 296 CA THR A 19 17.975 -23.139 19.613 1.00 41.11 C ATOM 297 C THR A 19 16.779 -22.214 19.465 1.00 2.13 C ATOM 298 O THR A 19 15.812 -22.286 20.246 1.00 64.45 O ATOM 299 CB THR A 19 17.579 -24.589 19.320 1.00 2.14 C ATOM 300 OG1 THR A 19 18.686 -25.441 19.616 1.00 11.24 O ATOM 301 CG2 THR A 19 17.214 -24.743 17.841 1.00 20.53 C ATOM 0 H THR A 19 17.899 -23.322 21.696 1.00 71.41 H new ATOM 0 HA THR A 19 18.726 -22.815 18.892 1.00 41.11 H new ATOM 0 HB THR A 19 16.719 -24.859 19.933 1.00 2.14 H new ATOM 0 HG1 THR A 19 18.876 -25.409 20.577 1.00 11.24 H new ATOM 0 HG21 THR A 19 16.934 -25.777 17.641 1.00 20.53 H new ATOM 0 HG22 THR A 19 16.376 -24.087 17.603 1.00 20.53 H new ATOM 0 HG23 THR A 19 18.072 -24.474 17.225 1.00 20.53 H new ATOM 309 N VAL A 20 16.826 -21.364 18.457 1.00 62.44 N ATOM 310 CA VAL A 20 15.724 -20.469 18.171 1.00 2.05 C ATOM 311 C VAL A 20 15.487 -20.336 16.674 1.00 1.51 C ATOM 312 O VAL A 20 16.419 -20.436 15.867 1.00 15.42 O ATOM 313 CB VAL A 20 15.941 -19.083 18.824 1.00 22.23 C ATOM 314 CG1 VAL A 20 15.834 -19.205 20.340 1.00 41.33 C ATOM 315 CG2 VAL A 20 17.332 -18.537 18.477 1.00 52.53 C ATOM 0 H VAL A 20 17.619 -21.275 17.821 1.00 62.44 H new ATOM 0 HA VAL A 20 14.828 -20.908 18.609 1.00 2.05 H new ATOM 0 HB VAL A 20 15.178 -18.404 18.445 1.00 22.23 H new ATOM 0 HG11 VAL A 20 15.987 -18.227 20.795 1.00 41.33 H new ATOM 0 HG12 VAL A 20 14.845 -19.578 20.606 1.00 41.33 H new ATOM 0 HG13 VAL A 20 16.593 -19.898 20.704 1.00 41.33 H new ATOM 0 HG21 VAL A 20 17.467 -17.562 18.945 1.00 52.53 H new ATOM 0 HG22 VAL A 20 18.094 -19.224 18.844 1.00 52.53 H new ATOM 0 HG23 VAL A 20 17.424 -18.437 17.396 1.00 52.53 H new ATOM 325 N THR A 21 14.275 -19.982 16.329 1.00 63.53 N ATOM 326 CA THR A 21 13.919 -19.669 14.970 1.00 44.25 C ATOM 327 C THR A 21 13.553 -18.210 14.897 1.00 12.41 C ATOM 328 O THR A 21 12.690 -17.741 15.653 1.00 11.33 O ATOM 329 CB THR A 21 12.741 -20.545 14.509 1.00 65.22 C ATOM 330 OG1 THR A 21 13.231 -21.824 14.110 1.00 25.54 O ATOM 331 CG2 THR A 21 11.993 -19.882 13.337 1.00 10.42 C ATOM 0 H THR A 21 13.502 -19.903 16.990 1.00 63.53 H new ATOM 0 HA THR A 21 14.762 -19.871 14.310 1.00 44.25 H new ATOM 0 HB THR A 21 12.043 -20.660 15.338 1.00 65.22 H new ATOM 0 HG1 THR A 21 12.482 -22.385 13.818 1.00 25.54 H new ATOM 0 HG21 THR A 21 11.164 -20.519 13.027 1.00 10.42 H new ATOM 0 HG22 THR A 21 11.607 -18.913 13.653 1.00 10.42 H new ATOM 0 HG23 THR A 21 12.677 -19.745 12.500 1.00 10.42 H new ATOM 339 N ILE A 22 14.160 -17.496 13.983 1.00 41.12 N ATOM 340 CA ILE A 22 13.831 -16.107 13.818 1.00 63.41 C ATOM 341 C ILE A 22 13.388 -15.865 12.400 1.00 15.43 C ATOM 342 O ILE A 22 13.814 -16.567 11.468 1.00 50.41 O ATOM 343 CB ILE A 22 15.023 -15.209 14.189 1.00 35.34 C ATOM 344 CG1 ILE A 22 16.199 -15.488 13.257 1.00 65.05 C ATOM 345 CG2 ILE A 22 15.450 -15.492 15.636 1.00 31.40 C ATOM 346 CD1 ILE A 22 17.320 -14.482 13.535 1.00 75.44 C ATOM 0 H ILE A 22 14.876 -17.850 13.349 1.00 41.12 H new ATOM 0 HA ILE A 22 13.014 -15.852 14.493 1.00 63.41 H new ATOM 0 HB ILE A 22 14.723 -14.166 14.089 1.00 35.34 H new ATOM 0 HG12 ILE A 22 16.563 -16.505 13.407 1.00 65.05 H new ATOM 0 HG13 ILE A 22 15.879 -15.414 12.218 1.00 65.05 H new ATOM 0 HG21 ILE A 22 16.295 -14.855 15.897 1.00 31.40 H new ATOM 0 HG22 ILE A 22 14.617 -15.285 16.308 1.00 31.40 H new ATOM 0 HG23 ILE A 22 15.741 -16.538 15.731 1.00 31.40 H new ATOM 0 HD11 ILE A 22 18.160 -14.681 12.870 1.00 75.44 H new ATOM 0 HD12 ILE A 22 16.952 -13.471 13.363 1.00 75.44 H new ATOM 0 HD13 ILE A 22 17.646 -14.578 14.571 1.00 75.44 H new ATOM 358 N TRP A 23 12.491 -14.933 12.248 1.00 51.20 N ATOM 359 CA TRP A 23 11.921 -14.627 10.968 1.00 45.54 C ATOM 360 C TRP A 23 12.235 -13.194 10.617 1.00 3.15 C ATOM 361 O TRP A 23 11.980 -12.285 11.412 1.00 71.12 O ATOM 362 CB TRP A 23 10.410 -14.848 11.026 1.00 14.21 C ATOM 363 CG TRP A 23 10.121 -16.260 11.456 1.00 32.22 C ATOM 364 CD1 TRP A 23 10.687 -17.367 10.934 1.00 44.21 C ATOM 365 CD2 TRP A 23 9.230 -16.721 12.499 1.00 53.12 C ATOM 366 NE1 TRP A 23 10.171 -18.476 11.568 1.00 24.00 N ATOM 367 CE2 TRP A 23 9.275 -18.130 12.546 1.00 64.15 C ATOM 368 CE3 TRP A 23 8.390 -16.060 13.394 1.00 72.44 C ATOM 369 CZ2 TRP A 23 8.512 -18.855 13.449 1.00 24.32 C ATOM 370 CZ3 TRP A 23 7.619 -16.782 14.311 1.00 74.51 C ATOM 371 CH2 TRP A 23 7.678 -18.180 14.338 1.00 12.23 C ATOM 0 H TRP A 23 12.133 -14.361 13.013 1.00 51.20 H new ATOM 0 HA TRP A 23 12.342 -15.277 10.201 1.00 45.54 H new ATOM 0 HB2 TRP A 23 9.956 -14.145 11.724 1.00 14.21 H new ATOM 0 HB3 TRP A 23 9.967 -14.657 10.049 1.00 14.21 H new ATOM 0 HD1 TRP A 23 11.426 -17.382 10.146 1.00 44.21 H new ATOM 0 HE1 TRP A 23 10.425 -19.437 11.338 1.00 24.00 H new ATOM 0 HE3 TRP A 23 8.334 -14.982 13.379 1.00 72.44 H new ATOM 0 HZ2 TRP A 23 8.564 -19.934 13.463 1.00 24.32 H new ATOM 0 HZ3 TRP A 23 6.975 -16.258 15.002 1.00 74.51 H new ATOM 0 HH2 TRP A 23 7.079 -18.734 15.046 1.00 12.23 H new ATOM 382 N LEU A 24 12.817 -12.992 9.464 1.00 44.10 N ATOM 383 CA LEU A 24 13.201 -11.666 9.030 1.00 40.20 C ATOM 384 C LEU A 24 12.361 -11.261 7.844 1.00 52.40 C ATOM 385 O LEU A 24 12.071 -12.091 6.983 1.00 21.24 O ATOM 386 CB LEU A 24 14.682 -11.657 8.650 1.00 70.54 C ATOM 387 CG LEU A 24 15.528 -12.112 9.854 1.00 40.03 C ATOM 388 CD1 LEU A 24 16.998 -12.184 9.455 1.00 42.21 C ATOM 389 CD2 LEU A 24 15.369 -11.119 11.010 1.00 21.54 C ATOM 0 H LEU A 24 13.039 -13.734 8.800 1.00 44.10 H new ATOM 0 HA LEU A 24 13.039 -10.957 9.842 1.00 40.20 H new ATOM 0 HB2 LEU A 24 14.854 -12.319 7.801 1.00 70.54 H new ATOM 0 HB3 LEU A 24 14.982 -10.656 8.340 1.00 70.54 H new ATOM 0 HG LEU A 24 15.186 -13.097 10.172 1.00 40.03 H new ATOM 0 HD11 LEU A 24 17.592 -12.506 10.310 1.00 42.21 H new ATOM 0 HD12 LEU A 24 17.119 -12.897 8.640 1.00 42.21 H new ATOM 0 HD13 LEU A 24 17.335 -11.200 9.129 1.00 42.21 H new ATOM 0 HD21 LEU A 24 15.970 -11.448 11.858 1.00 21.54 H new ATOM 0 HD22 LEU A 24 15.702 -10.132 10.690 1.00 21.54 H new ATOM 0 HD23 LEU A 24 14.321 -11.070 11.306 1.00 21.54 H new ATOM 401 N THR A 25 11.939 -10.013 7.807 1.00 32.11 N ATOM 402 CA THR A 25 11.127 -9.539 6.701 1.00 20.03 C ATOM 403 C THR A 25 11.908 -8.500 5.901 1.00 15.11 C ATOM 404 O THR A 25 12.284 -7.440 6.434 1.00 30.42 O ATOM 405 CB THR A 25 9.811 -8.957 7.232 1.00 11.33 C ATOM 406 OG1 THR A 25 9.328 -9.799 8.277 1.00 74.12 O ATOM 407 CG2 THR A 25 8.775 -8.925 6.103 1.00 51.01 C ATOM 0 H THR A 25 12.141 -9.314 8.522 1.00 32.11 H new ATOM 0 HA THR A 25 10.885 -10.371 6.039 1.00 20.03 H new ATOM 0 HB THR A 25 9.978 -7.946 7.605 1.00 11.33 H new ATOM 0 HG1 THR A 25 8.487 -9.437 8.627 1.00 74.12 H new ATOM 0 HG21 THR A 25 7.839 -8.512 6.479 1.00 51.01 H new ATOM 0 HG22 THR A 25 9.145 -8.303 5.288 1.00 51.01 H new ATOM 0 HG23 THR A 25 8.603 -9.938 5.738 1.00 51.01 H new ATOM 415 N VAL A 26 12.210 -8.839 4.656 1.00 24.42 N ATOM 416 CA VAL A 26 13.025 -7.999 3.782 1.00 0.53 C ATOM 417 C VAL A 26 12.663 -8.269 2.331 1.00 14.44 C ATOM 418 O VAL A 26 11.913 -9.189 2.050 1.00 61.52 O ATOM 419 CB VAL A 26 14.513 -8.304 4.004 1.00 60.45 C ATOM 420 CG1 VAL A 26 14.967 -7.743 5.350 1.00 14.20 C ATOM 421 CG2 VAL A 26 14.730 -9.821 3.990 1.00 64.00 C ATOM 0 H VAL A 26 11.897 -9.706 4.220 1.00 24.42 H new ATOM 0 HA VAL A 26 12.834 -6.951 4.015 1.00 0.53 H new ATOM 0 HB VAL A 26 15.094 -7.840 3.207 1.00 60.45 H new ATOM 0 HG11 VAL A 26 16.024 -7.964 5.499 1.00 14.20 H new ATOM 0 HG12 VAL A 26 14.817 -6.663 5.364 1.00 14.20 H new ATOM 0 HG13 VAL A 26 14.385 -8.200 6.150 1.00 14.20 H new ATOM 0 HG21 VAL A 26 15.786 -10.039 4.148 1.00 64.00 H new ATOM 0 HG22 VAL A 26 14.142 -10.280 4.785 1.00 64.00 H new ATOM 0 HG23 VAL A 26 14.416 -10.225 3.027 1.00 64.00 H new ATOM 431 N ARG A 27 13.291 -7.561 1.412 1.00 33.21 N ATOM 432 CA ARG A 27 13.094 -7.847 -0.010 1.00 4.21 C ATOM 433 C ARG A 27 14.210 -8.744 -0.536 1.00 3.32 C ATOM 434 O ARG A 27 15.338 -8.690 -0.043 1.00 72.11 O ATOM 435 CB ARG A 27 13.014 -6.555 -0.846 1.00 30.33 C ATOM 436 CG ARG A 27 14.103 -5.561 -0.415 1.00 13.41 C ATOM 437 CD ARG A 27 13.454 -4.247 0.025 1.00 0.42 C ATOM 438 NE ARG A 27 12.859 -3.553 -1.122 1.00 5.44 N ATOM 439 CZ ARG A 27 11.542 -3.584 -1.385 1.00 52.45 C ATOM 440 NH1 ARG A 27 10.727 -4.229 -0.603 1.00 55.30 N ATOM 441 NH2 ARG A 27 11.075 -2.948 -2.422 1.00 23.52 N ATOM 0 H ARG A 27 13.933 -6.794 1.612 1.00 33.21 H new ATOM 0 HA ARG A 27 12.142 -8.368 -0.108 1.00 4.21 H new ATOM 0 HB2 ARG A 27 13.129 -6.793 -1.904 1.00 30.33 H new ATOM 0 HB3 ARG A 27 12.031 -6.099 -0.727 1.00 30.33 H new ATOM 0 HG2 ARG A 27 14.689 -5.980 0.403 1.00 13.41 H new ATOM 0 HG3 ARG A 27 14.791 -5.380 -1.240 1.00 13.41 H new ATOM 0 HD2 ARG A 27 12.687 -4.447 0.773 1.00 0.42 H new ATOM 0 HD3 ARG A 27 14.200 -3.607 0.497 1.00 0.42 H new ATOM 0 HE ARG A 27 13.470 -3.025 -1.745 1.00 5.44 H new ATOM 0 HH11 ARG A 27 11.086 -4.717 0.218 1.00 55.30 H new ATOM 0 HH12 ARG A 27 9.728 -4.247 -0.810 1.00 55.30 H new ATOM 0 HH21 ARG A 27 11.709 -2.429 -3.030 1.00 23.52 H new ATOM 0 HH22 ARG A 27 10.076 -2.969 -2.626 1.00 23.52 H new ATOM 455 N PRO A 28 13.951 -9.488 -1.585 1.00 70.42 N ATOM 456 CA PRO A 28 14.980 -10.369 -2.222 1.00 2.44 C ATOM 457 C PRO A 28 16.176 -9.546 -2.668 1.00 10.52 C ATOM 458 O PRO A 28 17.247 -10.088 -2.973 1.00 73.22 O ATOM 459 CB PRO A 28 14.257 -10.949 -3.447 1.00 63.31 C ATOM 460 CG PRO A 28 12.803 -10.832 -3.135 1.00 53.01 C ATOM 461 CD PRO A 28 12.649 -9.577 -2.283 1.00 50.41 C ATOM 0 HA PRO A 28 15.357 -11.135 -1.545 1.00 2.44 H new ATOM 0 HB2 PRO A 28 14.511 -10.397 -4.352 1.00 63.31 H new ATOM 0 HB3 PRO A 28 14.541 -11.988 -3.617 1.00 63.31 H new ATOM 0 HG2 PRO A 28 12.214 -10.756 -4.049 1.00 53.01 H new ATOM 0 HG3 PRO A 28 12.448 -11.712 -2.599 1.00 53.01 H new ATOM 0 HD2 PRO A 28 12.457 -8.695 -2.894 1.00 50.41 H new ATOM 0 HD3 PRO A 28 11.820 -9.665 -1.581 1.00 50.41 H new ATOM 469 N ASP A 29 15.935 -8.254 -2.827 1.00 21.24 N ATOM 470 CA ASP A 29 16.922 -7.313 -3.328 1.00 42.34 C ATOM 471 C ASP A 29 17.918 -6.929 -2.253 1.00 22.22 C ATOM 472 O ASP A 29 18.912 -6.254 -2.530 1.00 73.13 O ATOM 473 CB ASP A 29 16.235 -6.062 -3.878 1.00 0.01 C ATOM 474 CG ASP A 29 15.431 -6.396 -5.123 1.00 62.22 C ATOM 475 OD1 ASP A 29 15.641 -7.448 -5.688 1.00 21.43 O ATOM 476 OD2 ASP A 29 14.606 -5.596 -5.495 1.00 43.24 O ATOM 0 H ASP A 29 15.036 -7.825 -2.608 1.00 21.24 H new ATOM 0 HA ASP A 29 17.468 -7.804 -4.133 1.00 42.34 H new ATOM 0 HB2 ASP A 29 15.579 -5.637 -3.118 1.00 0.01 H new ATOM 0 HB3 ASP A 29 16.982 -5.304 -4.114 1.00 0.01 H new ATOM 481 N MET A 30 17.669 -7.366 -1.035 1.00 31.25 N ATOM 482 CA MET A 30 18.592 -7.103 0.054 1.00 25.12 C ATOM 483 C MET A 30 19.763 -8.036 0.012 1.00 64.13 C ATOM 484 O MET A 30 19.706 -9.095 -0.600 1.00 62.13 O ATOM 485 CB MET A 30 17.912 -7.185 1.418 1.00 2.42 C ATOM 486 CG MET A 30 17.292 -5.835 1.764 1.00 11.34 C ATOM 487 SD MET A 30 16.431 -5.961 3.346 1.00 52.43 S ATOM 488 CE MET A 30 17.873 -6.380 4.364 1.00 61.23 C ATOM 0 H MET A 30 16.841 -7.902 -0.774 1.00 31.25 H new ATOM 0 HA MET A 30 18.949 -6.082 -0.083 1.00 25.12 H new ATOM 0 HB2 MET A 30 17.143 -7.957 1.406 1.00 2.42 H new ATOM 0 HB3 MET A 30 18.637 -7.469 2.180 1.00 2.42 H new ATOM 0 HG2 MET A 30 18.066 -5.070 1.818 1.00 11.34 H new ATOM 0 HG3 MET A 30 16.597 -5.530 0.982 1.00 11.34 H new ATOM 0 HE1 MET A 30 17.802 -5.868 5.324 1.00 61.23 H new ATOM 0 HE2 MET A 30 17.901 -7.457 4.529 1.00 61.23 H new ATOM 0 HE3 MET A 30 18.783 -6.067 3.852 1.00 61.23 H new ATOM 498 N THR A 31 20.808 -7.631 0.681 1.00 12.23 N ATOM 499 CA THR A 31 22.020 -8.390 0.804 1.00 31.41 C ATOM 500 C THR A 31 22.014 -9.135 2.143 1.00 44.04 C ATOM 501 O THR A 31 21.437 -8.652 3.132 1.00 12.01 O ATOM 502 CB THR A 31 23.227 -7.428 0.676 1.00 25.42 C ATOM 503 OG1 THR A 31 23.660 -7.356 -0.686 1.00 20.13 O ATOM 504 CG2 THR A 31 24.375 -7.876 1.557 1.00 40.23 C ATOM 0 H THR A 31 20.839 -6.736 1.170 1.00 12.23 H new ATOM 0 HA THR A 31 22.097 -9.135 0.012 1.00 31.41 H new ATOM 0 HB THR A 31 22.906 -6.439 1.004 1.00 25.42 H new ATOM 0 HG1 THR A 31 24.113 -8.190 -0.930 1.00 20.13 H new ATOM 0 HG21 THR A 31 25.209 -7.183 1.448 1.00 40.23 H new ATOM 0 HG22 THR A 31 24.050 -7.892 2.597 1.00 40.23 H new ATOM 0 HG23 THR A 31 24.693 -8.876 1.260 1.00 40.23 H new ATOM 512 N VAL A 32 22.623 -10.312 2.171 1.00 60.15 N ATOM 513 CA VAL A 32 22.625 -11.128 3.374 1.00 10.31 C ATOM 514 C VAL A 32 23.272 -10.362 4.529 1.00 54.12 C ATOM 515 O VAL A 32 22.717 -10.294 5.615 1.00 54.33 O ATOM 516 CB VAL A 32 23.357 -12.461 3.119 1.00 44.23 C ATOM 517 CG1 VAL A 32 23.466 -13.267 4.419 1.00 71.12 C ATOM 518 CG2 VAL A 32 22.588 -13.283 2.078 1.00 24.05 C ATOM 0 H VAL A 32 23.119 -10.720 1.379 1.00 60.15 H new ATOM 0 HA VAL A 32 21.595 -11.355 3.647 1.00 10.31 H new ATOM 0 HB VAL A 32 24.359 -12.243 2.749 1.00 44.23 H new ATOM 0 HG11 VAL A 32 23.985 -14.205 4.223 1.00 71.12 H new ATOM 0 HG12 VAL A 32 24.023 -12.692 5.158 1.00 71.12 H new ATOM 0 HG13 VAL A 32 22.467 -13.478 4.801 1.00 71.12 H new ATOM 0 HG21 VAL A 32 23.109 -14.224 1.901 1.00 24.05 H new ATOM 0 HG22 VAL A 32 21.583 -13.488 2.447 1.00 24.05 H new ATOM 0 HG23 VAL A 32 22.525 -12.722 1.146 1.00 24.05 H new ATOM 528 N ALA A 33 24.396 -9.722 4.270 1.00 53.45 N ATOM 529 CA ALA A 33 25.067 -8.929 5.295 1.00 55.04 C ATOM 530 C ALA A 33 24.095 -7.922 5.896 1.00 52.23 C ATOM 531 O ALA A 33 23.970 -7.810 7.123 1.00 54.14 O ATOM 532 CB ALA A 33 26.274 -8.195 4.704 1.00 50.32 C ATOM 0 H ALA A 33 24.866 -9.732 3.365 1.00 53.45 H new ATOM 0 HA ALA A 33 25.416 -9.603 6.078 1.00 55.04 H new ATOM 0 HB1 ALA A 33 26.761 -7.609 5.484 1.00 50.32 H new ATOM 0 HB2 ALA A 33 26.980 -8.921 4.301 1.00 50.32 H new ATOM 0 HB3 ALA A 33 25.941 -7.531 3.906 1.00 50.32 H new ATOM 538 N SER A 34 23.352 -7.249 5.035 1.00 20.42 N ATOM 539 CA SER A 34 22.345 -6.312 5.481 1.00 42.23 C ATOM 540 C SER A 34 21.324 -7.060 6.335 1.00 51.41 C ATOM 541 O SER A 34 20.937 -6.608 7.419 1.00 74.05 O ATOM 542 CB SER A 34 21.644 -5.706 4.260 1.00 22.13 C ATOM 543 OG SER A 34 22.622 -5.232 3.329 1.00 22.31 O ATOM 0 H SER A 34 23.430 -7.337 4.022 1.00 20.42 H new ATOM 0 HA SER A 34 22.806 -5.516 6.066 1.00 42.23 H new ATOM 0 HB2 SER A 34 21.008 -6.453 3.785 1.00 22.13 H new ATOM 0 HB3 SER A 34 20.996 -4.886 4.570 1.00 22.13 H new ATOM 0 HG SER A 34 22.171 -4.847 2.549 1.00 22.31 H new ATOM 549 N LEU A 35 20.946 -8.236 5.858 1.00 42.51 N ATOM 550 CA LEU A 35 20.028 -9.112 6.569 1.00 60.21 C ATOM 551 C LEU A 35 20.642 -9.579 7.892 1.00 12.50 C ATOM 552 O LEU A 35 19.989 -9.559 8.936 1.00 51.11 O ATOM 553 CB LEU A 35 19.655 -10.304 5.678 1.00 20.44 C ATOM 554 CG LEU A 35 18.689 -11.234 6.406 1.00 63.51 C ATOM 555 CD1 LEU A 35 17.445 -10.457 6.824 1.00 4.13 C ATOM 556 CD2 LEU A 35 18.275 -12.360 5.465 1.00 72.44 C ATOM 0 H LEU A 35 21.268 -8.610 4.965 1.00 42.51 H new ATOM 0 HA LEU A 35 19.119 -8.559 6.806 1.00 60.21 H new ATOM 0 HB2 LEU A 35 19.199 -9.947 4.755 1.00 20.44 H new ATOM 0 HB3 LEU A 35 20.555 -10.852 5.398 1.00 20.44 H new ATOM 0 HG LEU A 35 19.178 -11.644 7.290 1.00 63.51 H new ATOM 0 HD11 LEU A 35 16.757 -11.124 7.344 1.00 4.13 H new ATOM 0 HD12 LEU A 35 17.731 -9.642 7.488 1.00 4.13 H new ATOM 0 HD13 LEU A 35 16.956 -10.049 5.939 1.00 4.13 H new ATOM 0 HD21 LEU A 35 17.584 -13.028 5.979 1.00 72.44 H new ATOM 0 HD22 LEU A 35 17.786 -11.939 4.587 1.00 72.44 H new ATOM 0 HD23 LEU A 35 19.158 -12.919 5.156 1.00 72.44 H new ATOM 568 N LYS A 36 21.909 -9.949 7.843 1.00 34.21 N ATOM 569 CA LYS A 36 22.632 -10.387 9.030 1.00 44.21 C ATOM 570 C LYS A 36 22.649 -9.263 10.044 1.00 31.00 C ATOM 571 O LYS A 36 22.533 -9.490 11.251 1.00 33.33 O ATOM 572 CB LYS A 36 24.088 -10.711 8.661 1.00 43.15 C ATOM 573 CG LYS A 36 24.182 -11.982 7.803 1.00 4.03 C ATOM 574 CD LYS A 36 25.642 -12.181 7.350 1.00 65.42 C ATOM 575 CE LYS A 36 26.497 -12.724 8.508 1.00 65.21 C ATOM 576 NZ LYS A 36 27.917 -12.363 8.286 1.00 35.45 N ATOM 0 H LYS A 36 22.465 -9.956 6.988 1.00 34.21 H new ATOM 0 HA LYS A 36 22.141 -11.270 9.439 1.00 44.21 H new ATOM 0 HB2 LYS A 36 24.522 -9.871 8.118 1.00 43.15 H new ATOM 0 HB3 LYS A 36 24.675 -10.840 9.570 1.00 43.15 H new ATOM 0 HG2 LYS A 36 23.845 -12.847 8.375 1.00 4.03 H new ATOM 0 HG3 LYS A 36 23.528 -11.899 6.935 1.00 4.03 H new ATOM 0 HD2 LYS A 36 25.677 -12.873 6.509 1.00 65.42 H new ATOM 0 HD3 LYS A 36 26.053 -11.234 7.000 1.00 65.42 H new ATOM 0 HE2 LYS A 36 26.150 -12.311 9.455 1.00 65.21 H new ATOM 0 HE3 LYS A 36 26.392 -13.807 8.575 1.00 65.21 H new ATOM 0 HZ1 LYS A 36 28.530 -13.051 8.768 1.00 35.45 H new ATOM 0 HZ2 LYS A 36 28.122 -12.372 7.266 1.00 35.45 H new ATOM 0 HZ3 LYS A 36 28.097 -11.412 8.667 1.00 35.45 H new ATOM 590 N ASP A 37 22.853 -8.056 9.551 1.00 21.40 N ATOM 591 CA ASP A 37 22.958 -6.902 10.423 1.00 31.33 C ATOM 592 C ASP A 37 21.681 -6.697 11.209 1.00 3.04 C ATOM 593 O ASP A 37 21.721 -6.476 12.415 1.00 73.14 O ATOM 594 CB ASP A 37 23.279 -5.644 9.620 1.00 1.34 C ATOM 595 CG ASP A 37 23.697 -4.530 10.559 1.00 74.31 C ATOM 596 OD1 ASP A 37 24.723 -4.671 11.186 1.00 11.04 O ATOM 597 OD2 ASP A 37 22.996 -3.549 10.635 1.00 52.50 O ATOM 0 H ASP A 37 22.949 -7.850 8.557 1.00 21.40 H new ATOM 0 HA ASP A 37 23.771 -7.091 11.124 1.00 31.33 H new ATOM 0 HB2 ASP A 37 24.077 -5.850 8.907 1.00 1.34 H new ATOM 0 HB3 ASP A 37 22.407 -5.337 9.042 1.00 1.34 H new ATOM 602 N MET A 38 20.538 -6.833 10.547 1.00 34.44 N ATOM 603 CA MET A 38 19.269 -6.631 11.233 1.00 41.13 C ATOM 604 C MET A 38 19.173 -7.591 12.377 1.00 34.34 C ATOM 605 O MET A 38 18.725 -7.240 13.457 1.00 71.22 O ATOM 606 CB MET A 38 18.069 -6.855 10.326 1.00 41.21 C ATOM 607 CG MET A 38 18.433 -6.640 8.864 1.00 23.15 C ATOM 608 SD MET A 38 16.913 -6.610 7.879 1.00 32.15 S ATOM 609 CE MET A 38 16.149 -8.120 8.545 1.00 74.35 C ATOM 0 H MET A 38 20.463 -7.076 9.559 1.00 34.44 H new ATOM 0 HA MET A 38 19.249 -5.595 11.571 1.00 41.13 H new ATOM 0 HB2 MET A 38 17.691 -7.868 10.464 1.00 41.21 H new ATOM 0 HB3 MET A 38 17.266 -6.174 10.607 1.00 41.21 H new ATOM 0 HG2 MET A 38 18.978 -5.703 8.745 1.00 23.15 H new ATOM 0 HG3 MET A 38 19.091 -7.437 8.518 1.00 23.15 H new ATOM 0 HE1 MET A 38 15.526 -8.581 7.779 1.00 74.35 H new ATOM 0 HE2 MET A 38 16.929 -8.819 8.848 1.00 74.35 H new ATOM 0 HE3 MET A 38 15.534 -7.866 9.408 1.00 74.35 H new ATOM 619 N VAL A 39 19.634 -8.794 12.147 1.00 14.41 N ATOM 620 CA VAL A 39 19.623 -9.802 13.178 1.00 25.32 C ATOM 621 C VAL A 39 20.446 -9.287 14.351 1.00 51.44 C ATOM 622 O VAL A 39 20.004 -9.310 15.504 1.00 21.33 O ATOM 623 CB VAL A 39 20.211 -11.118 12.646 1.00 31.13 C ATOM 624 CG1 VAL A 39 20.191 -12.195 13.739 1.00 41.14 C ATOM 625 CG2 VAL A 39 19.394 -11.595 11.446 1.00 65.31 C ATOM 0 H VAL A 39 20.022 -9.100 11.255 1.00 14.41 H new ATOM 0 HA VAL A 39 18.600 -10.001 13.498 1.00 25.32 H new ATOM 0 HB VAL A 39 21.243 -10.943 12.343 1.00 31.13 H new ATOM 0 HG11 VAL A 39 20.611 -13.121 13.345 1.00 41.14 H new ATOM 0 HG12 VAL A 39 20.784 -11.861 14.590 1.00 41.14 H new ATOM 0 HG13 VAL A 39 19.164 -12.370 14.059 1.00 41.14 H new ATOM 0 HG21 VAL A 39 19.812 -12.529 11.069 1.00 65.31 H new ATOM 0 HG22 VAL A 39 18.360 -11.757 11.751 1.00 65.31 H new ATOM 0 HG23 VAL A 39 19.426 -10.840 10.661 1.00 65.31 H new ATOM 635 N PHE A 40 21.586 -8.705 14.035 1.00 3.12 N ATOM 636 CA PHE A 40 22.392 -8.047 15.031 1.00 33.42 C ATOM 637 C PHE A 40 21.616 -6.904 15.654 1.00 2.10 C ATOM 638 O PHE A 40 21.585 -6.760 16.873 1.00 42.22 O ATOM 639 CB PHE A 40 23.711 -7.564 14.425 1.00 31.43 C ATOM 640 CG PHE A 40 24.482 -6.722 15.422 1.00 13.33 C ATOM 641 CD1 PHE A 40 24.939 -7.283 16.620 1.00 13.01 C ATOM 642 CD2 PHE A 40 24.736 -5.376 15.141 1.00 43.21 C ATOM 643 CE1 PHE A 40 25.652 -6.497 17.535 1.00 61.34 C ATOM 644 CE2 PHE A 40 25.448 -4.594 16.053 1.00 33.14 C ATOM 645 CZ PHE A 40 25.908 -5.153 17.249 1.00 34.32 C ATOM 0 H PHE A 40 21.972 -8.677 13.091 1.00 3.12 H new ATOM 0 HA PHE A 40 22.636 -8.760 15.818 1.00 33.42 H new ATOM 0 HB2 PHE A 40 24.313 -8.421 14.122 1.00 31.43 H new ATOM 0 HB3 PHE A 40 23.512 -6.981 13.526 1.00 31.43 H new ATOM 0 HD1 PHE A 40 24.742 -8.322 16.839 1.00 13.01 H new ATOM 0 HD2 PHE A 40 24.381 -4.941 14.218 1.00 43.21 H new ATOM 0 HE1 PHE A 40 26.003 -6.929 18.460 1.00 61.34 H new ATOM 0 HE2 PHE A 40 25.644 -3.555 15.834 1.00 33.14 H new ATOM 0 HZ PHE A 40 26.461 -4.547 17.951 1.00 34.32 H new ATOM 655 N LEU A 41 20.971 -6.101 14.820 1.00 22.50 N ATOM 656 CA LEU A 41 20.202 -4.971 15.332 1.00 60.20 C ATOM 657 C LEU A 41 19.094 -5.491 16.211 1.00 62.30 C ATOM 658 O LEU A 41 18.759 -4.904 17.239 1.00 2.04 O ATOM 659 CB LEU A 41 19.512 -4.240 14.172 1.00 64.43 C ATOM 660 CG LEU A 41 20.544 -3.700 13.202 1.00 14.35 C ATOM 661 CD1 LEU A 41 19.853 -3.007 12.030 1.00 15.13 C ATOM 662 CD2 LEU A 41 21.476 -2.740 13.910 1.00 2.24 C ATOM 0 H LEU A 41 20.962 -6.205 13.805 1.00 22.50 H new ATOM 0 HA LEU A 41 20.880 -4.309 15.871 1.00 60.20 H new ATOM 0 HB2 LEU A 41 18.837 -4.921 13.654 1.00 64.43 H new ATOM 0 HB3 LEU A 41 18.904 -3.422 14.559 1.00 64.43 H new ATOM 0 HG LEU A 41 21.133 -4.532 12.815 1.00 14.35 H new ATOM 0 HD11 LEU A 41 20.604 -2.623 11.340 1.00 15.13 H new ATOM 0 HD12 LEU A 41 19.214 -3.721 11.510 1.00 15.13 H new ATOM 0 HD13 LEU A 41 19.246 -2.181 12.402 1.00 15.13 H new ATOM 0 HD21 LEU A 41 22.212 -2.359 13.202 1.00 2.24 H new ATOM 0 HD22 LEU A 41 20.901 -1.909 14.318 1.00 2.24 H new ATOM 0 HD23 LEU A 41 21.987 -3.260 14.721 1.00 2.24 H new ATOM 674 N ASP A 42 18.442 -6.513 15.712 1.00 3.40 N ATOM 675 CA ASP A 42 17.246 -7.047 16.350 1.00 20.53 C ATOM 676 C ASP A 42 17.576 -7.880 17.577 1.00 55.41 C ATOM 677 O ASP A 42 16.874 -7.801 18.589 1.00 3.34 O ATOM 678 CB ASP A 42 16.422 -7.878 15.351 1.00 22.22 C ATOM 679 CG ASP A 42 14.961 -7.920 15.764 1.00 70.13 C ATOM 680 OD1 ASP A 42 14.367 -6.863 15.862 1.00 72.43 O ATOM 681 OD2 ASP A 42 14.440 -8.994 15.953 1.00 75.41 O ATOM 0 H ASP A 42 18.716 -7.000 14.859 1.00 3.40 H new ATOM 0 HA ASP A 42 16.652 -6.195 16.680 1.00 20.53 H new ATOM 0 HB2 ASP A 42 16.511 -7.449 14.353 1.00 22.22 H new ATOM 0 HB3 ASP A 42 16.820 -8.892 15.299 1.00 22.22 H new ATOM 686 N TYR A 43 18.566 -8.762 17.447 1.00 32.23 N ATOM 687 CA TYR A 43 18.875 -9.718 18.516 1.00 3.43 C ATOM 688 C TYR A 43 20.222 -9.436 19.176 1.00 54.44 C ATOM 689 O TYR A 43 20.604 -10.128 20.122 1.00 52.22 O ATOM 690 CB TYR A 43 18.883 -11.137 17.945 1.00 12.45 C ATOM 691 CG TYR A 43 17.602 -11.370 17.190 1.00 32.24 C ATOM 692 CD1 TYR A 43 16.430 -11.697 17.871 1.00 32.13 C ATOM 693 CD2 TYR A 43 17.589 -11.234 15.800 1.00 13.44 C ATOM 694 CE1 TYR A 43 15.245 -11.886 17.158 1.00 60.33 C ATOM 695 CE2 TYR A 43 16.407 -11.415 15.090 1.00 50.22 C ATOM 696 CZ TYR A 43 15.235 -11.740 15.768 1.00 33.42 C ATOM 697 OH TYR A 43 14.070 -11.893 15.072 1.00 11.32 O ATOM 0 H TYR A 43 19.163 -8.837 16.623 1.00 32.23 H new ATOM 0 HA TYR A 43 18.103 -9.614 19.279 1.00 3.43 H new ATOM 0 HB2 TYR A 43 19.739 -11.272 17.284 1.00 12.45 H new ATOM 0 HB3 TYR A 43 18.984 -11.866 18.749 1.00 12.45 H new ATOM 0 HD1 TYR A 43 16.439 -11.804 18.946 1.00 32.13 H new ATOM 0 HD2 TYR A 43 18.500 -10.987 15.275 1.00 13.44 H new ATOM 0 HE1 TYR A 43 14.336 -12.145 17.680 1.00 60.33 H new ATOM 0 HE2 TYR A 43 16.398 -11.304 14.016 1.00 50.22 H new ATOM 0 HH TYR A 43 14.240 -11.757 14.116 1.00 11.32 H new ATOM 707 N GLY A 44 20.960 -8.471 18.656 1.00 13.32 N ATOM 708 CA GLY A 44 22.279 -8.156 19.201 1.00 51.52 C ATOM 709 C GLY A 44 23.283 -9.241 18.851 1.00 41.34 C ATOM 710 O GLY A 44 24.377 -9.276 19.399 1.00 41.15 O ATOM 0 H GLY A 44 20.676 -7.894 17.864 1.00 13.32 H new ATOM 0 HA2 GLY A 44 22.620 -7.198 18.808 1.00 51.52 H new ATOM 0 HA3 GLY A 44 22.214 -8.051 20.284 1.00 51.52 H new ATOM 714 N PHE A 45 22.895 -10.131 17.941 1.00 73.22 N ATOM 715 CA PHE A 45 23.740 -11.260 17.542 1.00 0.40 C ATOM 716 C PHE A 45 25.118 -10.786 17.082 1.00 12.32 C ATOM 717 O PHE A 45 25.252 -10.254 15.974 1.00 44.25 O ATOM 718 CB PHE A 45 23.067 -12.051 16.412 1.00 13.01 C ATOM 719 CG PHE A 45 21.993 -12.987 16.955 1.00 55.55 C ATOM 720 CD1 PHE A 45 21.476 -12.826 18.253 1.00 31.22 C ATOM 721 CD2 PHE A 45 21.512 -14.020 16.143 1.00 43.54 C ATOM 722 CE1 PHE A 45 20.486 -13.698 18.726 1.00 2.11 C ATOM 723 CE2 PHE A 45 20.524 -14.888 16.618 1.00 74.25 C ATOM 724 CZ PHE A 45 20.012 -14.728 17.909 1.00 11.12 C ATOM 0 H PHE A 45 21.995 -10.094 17.462 1.00 73.22 H new ATOM 0 HA PHE A 45 23.869 -11.903 18.413 1.00 0.40 H new ATOM 0 HB2 PHE A 45 22.622 -11.360 15.696 1.00 13.01 H new ATOM 0 HB3 PHE A 45 23.817 -12.629 15.873 1.00 13.01 H new ATOM 0 HD1 PHE A 45 21.842 -12.030 18.885 1.00 31.22 H new ATOM 0 HD2 PHE A 45 21.905 -14.147 15.145 1.00 43.54 H new ATOM 0 HE1 PHE A 45 20.089 -13.574 19.723 1.00 2.11 H new ATOM 0 HE2 PHE A 45 20.156 -15.683 15.987 1.00 74.25 H new ATOM 0 HZ PHE A 45 19.250 -15.400 18.275 1.00 11.12 H new ATOM 734 N PRO A 46 26.141 -10.974 17.892 1.00 33.44 N ATOM 735 CA PRO A 46 27.532 -10.549 17.543 1.00 1.25 C ATOM 736 C PRO A 46 28.048 -11.291 16.313 1.00 72.23 C ATOM 737 O PRO A 46 27.474 -12.306 15.903 1.00 63.41 O ATOM 738 CB PRO A 46 28.350 -10.919 18.790 1.00 45.41 C ATOM 739 CG PRO A 46 27.546 -11.974 19.476 1.00 3.22 C ATOM 740 CD PRO A 46 26.088 -11.615 19.219 1.00 61.54 C ATOM 0 HA PRO A 46 27.594 -9.490 17.293 1.00 1.25 H new ATOM 0 HB2 PRO A 46 29.339 -11.289 18.519 1.00 45.41 H new ATOM 0 HB3 PRO A 46 28.500 -10.054 19.436 1.00 45.41 H new ATOM 0 HG2 PRO A 46 27.781 -12.963 19.082 1.00 3.22 H new ATOM 0 HG3 PRO A 46 27.761 -11.997 20.544 1.00 3.22 H new ATOM 0 HD2 PRO A 46 25.448 -12.497 19.217 1.00 61.54 H new ATOM 0 HD3 PRO A 46 25.697 -10.939 19.980 1.00 61.54 H new ATOM 748 N PRO A 47 29.113 -10.819 15.720 1.00 24.43 N ATOM 749 CA PRO A 47 29.672 -11.436 14.485 1.00 3.35 C ATOM 750 C PRO A 47 30.053 -12.891 14.690 1.00 32.23 C ATOM 751 O PRO A 47 29.885 -13.711 13.793 1.00 60.40 O ATOM 752 CB PRO A 47 30.908 -10.581 14.170 1.00 22.12 C ATOM 753 CG PRO A 47 31.242 -9.896 15.459 1.00 61.03 C ATOM 754 CD PRO A 47 29.905 -9.654 16.154 1.00 72.21 C ATOM 0 HA PRO A 47 28.944 -11.449 13.674 1.00 3.35 H new ATOM 0 HB2 PRO A 47 31.737 -11.198 13.824 1.00 22.12 H new ATOM 0 HB3 PRO A 47 30.698 -9.858 13.382 1.00 22.12 H new ATOM 0 HG2 PRO A 47 31.897 -10.514 16.073 1.00 61.03 H new ATOM 0 HG3 PRO A 47 31.766 -8.957 15.280 1.00 61.03 H new ATOM 0 HD2 PRO A 47 30.011 -9.615 17.238 1.00 72.21 H new ATOM 0 HD3 PRO A 47 29.449 -8.714 15.844 1.00 72.21 H new ATOM 762 N VAL A 48 30.485 -13.220 15.888 1.00 2.22 N ATOM 763 CA VAL A 48 30.799 -14.600 16.204 1.00 3.34 C ATOM 764 C VAL A 48 29.540 -15.449 16.088 1.00 13.44 C ATOM 765 O VAL A 48 29.550 -16.519 15.489 1.00 24.32 O ATOM 766 CB VAL A 48 31.412 -14.700 17.620 1.00 51.11 C ATOM 767 CG1 VAL A 48 30.472 -14.069 18.657 1.00 44.54 C ATOM 768 CG2 VAL A 48 31.654 -16.171 17.988 1.00 41.53 C ATOM 0 H VAL A 48 30.626 -12.560 16.653 1.00 2.22 H new ATOM 0 HA VAL A 48 31.537 -14.976 15.495 1.00 3.34 H new ATOM 0 HB VAL A 48 32.360 -14.163 17.621 1.00 51.11 H new ATOM 0 HG11 VAL A 48 30.918 -14.148 19.648 1.00 44.54 H new ATOM 0 HG12 VAL A 48 30.314 -13.019 18.413 1.00 44.54 H new ATOM 0 HG13 VAL A 48 29.516 -14.592 18.647 1.00 44.54 H new ATOM 0 HG21 VAL A 48 32.086 -16.230 18.987 1.00 41.53 H new ATOM 0 HG22 VAL A 48 30.707 -16.711 17.969 1.00 41.53 H new ATOM 0 HG23 VAL A 48 32.341 -16.618 17.269 1.00 41.53 H new ATOM 778 N LEU A 49 28.457 -14.949 16.655 1.00 54.44 N ATOM 779 CA LEU A 49 27.172 -15.625 16.579 1.00 52.43 C ATOM 780 C LEU A 49 26.566 -15.508 15.184 1.00 2.01 C ATOM 781 O LEU A 49 25.869 -16.406 14.717 1.00 62.52 O ATOM 782 CB LEU A 49 26.203 -15.087 17.641 1.00 62.41 C ATOM 783 CG LEU A 49 26.721 -15.414 19.060 1.00 55.31 C ATOM 784 CD1 LEU A 49 25.785 -14.804 20.110 1.00 45.40 C ATOM 785 CD2 LEU A 49 26.789 -16.933 19.279 1.00 21.42 C ATOM 0 H LEU A 49 28.441 -14.072 17.176 1.00 54.44 H new ATOM 0 HA LEU A 49 27.344 -16.682 16.781 1.00 52.43 H new ATOM 0 HB2 LEU A 49 26.092 -14.009 17.527 1.00 62.41 H new ATOM 0 HB3 LEU A 49 25.216 -15.526 17.497 1.00 62.41 H new ATOM 0 HG LEU A 49 27.721 -14.993 19.161 1.00 55.31 H new ATOM 0 HD11 LEU A 49 26.156 -15.038 21.108 1.00 45.40 H new ATOM 0 HD12 LEU A 49 25.749 -13.722 19.981 1.00 45.40 H new ATOM 0 HD13 LEU A 49 24.784 -15.217 19.989 1.00 45.40 H new ATOM 0 HD21 LEU A 49 27.156 -17.140 20.284 1.00 21.42 H new ATOM 0 HD22 LEU A 49 25.794 -17.363 19.161 1.00 21.42 H new ATOM 0 HD23 LEU A 49 27.465 -17.376 18.548 1.00 21.42 H new ATOM 797 N GLN A 50 26.748 -14.352 14.570 1.00 62.55 N ATOM 798 CA GLN A 50 26.118 -14.049 13.289 1.00 24.52 C ATOM 799 C GLN A 50 26.708 -14.881 12.140 1.00 43.40 C ATOM 800 O GLN A 50 26.975 -14.352 11.053 1.00 65.42 O ATOM 801 CB GLN A 50 26.225 -12.542 12.986 1.00 53.50 C ATOM 802 CG GLN A 50 25.215 -12.144 11.899 1.00 42.03 C ATOM 803 CD GLN A 50 23.797 -12.253 12.428 1.00 24.14 C ATOM 804 OE1 GLN A 50 22.964 -12.931 11.825 1.00 22.04 O ATOM 805 NE2 GLN A 50 23.465 -11.628 13.513 1.00 23.53 N ATOM 0 H GLN A 50 27.331 -13.600 14.938 1.00 62.55 H new ATOM 0 HA GLN A 50 25.065 -14.321 13.368 1.00 24.52 H new ATOM 0 HB2 GLN A 50 26.038 -11.968 13.893 1.00 53.50 H new ATOM 0 HB3 GLN A 50 27.236 -12.301 12.658 1.00 53.50 H new ATOM 0 HG2 GLN A 50 25.409 -11.123 11.569 1.00 42.03 H new ATOM 0 HG3 GLN A 50 25.336 -12.789 11.028 1.00 42.03 H new ATOM 0 HE21 GLN A 50 24.157 -11.067 14.011 1.00 23.53 H new ATOM 0 HE22 GLN A 50 22.512 -11.697 13.870 1.00 23.53 H new ATOM 814 N GLN A 51 26.866 -16.181 12.355 1.00 50.00 N ATOM 815 CA GLN A 51 27.373 -17.055 11.300 1.00 5.12 C ATOM 816 C GLN A 51 26.222 -17.726 10.561 1.00 24.14 C ATOM 817 O GLN A 51 25.545 -18.606 11.104 1.00 52.33 O ATOM 818 CB GLN A 51 28.311 -18.116 11.870 1.00 32.34 C ATOM 819 CG GLN A 51 29.558 -17.448 12.457 1.00 40.52 C ATOM 820 CD GLN A 51 30.555 -18.506 12.903 1.00 13.41 C ATOM 821 OE1 GLN A 51 30.272 -19.760 12.738 1.00 2.14 O flip ATOM 822 NE2 GLN A 51 31.632 -18.181 13.411 1.00 64.45 N flip ATOM 0 H GLN A 51 26.655 -16.650 13.236 1.00 50.00 H new ATOM 0 HA GLN A 51 27.934 -16.438 10.598 1.00 5.12 H new ATOM 0 HB2 GLN A 51 27.798 -18.691 12.641 1.00 32.34 H new ATOM 0 HB3 GLN A 51 28.598 -18.818 11.087 1.00 32.34 H new ATOM 0 HG2 GLN A 51 30.016 -16.796 11.713 1.00 40.52 H new ATOM 0 HG3 GLN A 51 29.280 -16.820 13.303 1.00 40.52 H new ATOM 0 HE21 GLN A 51 31.857 -17.195 13.542 1.00 64.45 H new ATOM 0 HE22 GLN A 51 32.297 -18.899 13.700 1.00 64.45 H new ATOM 831 N TRP A 52 26.011 -17.310 9.327 1.00 42.04 N ATOM 832 CA TRP A 52 24.925 -17.829 8.510 1.00 31.04 C ATOM 833 C TRP A 52 25.379 -19.016 7.691 1.00 72.42 C ATOM 834 O TRP A 52 26.475 -19.001 7.125 1.00 1.43 O ATOM 835 CB TRP A 52 24.416 -16.734 7.568 1.00 75.43 C ATOM 836 CG TRP A 52 23.545 -15.777 8.314 1.00 45.20 C ATOM 837 CD1 TRP A 52 23.897 -15.094 9.428 1.00 33.04 C ATOM 838 CD2 TRP A 52 22.187 -15.380 8.001 1.00 51.21 C ATOM 839 NE1 TRP A 52 22.822 -14.315 9.827 1.00 11.32 N ATOM 840 CE2 TRP A 52 21.747 -14.458 8.972 1.00 62.02 C ATOM 841 CE3 TRP A 52 21.300 -15.737 6.973 1.00 64.11 C ATOM 842 CZ2 TRP A 52 20.470 -13.907 8.923 1.00 55.12 C ATOM 843 CZ3 TRP A 52 20.015 -15.186 6.920 1.00 45.22 C ATOM 844 CH2 TRP A 52 19.601 -14.272 7.894 1.00 64.43 C ATOM 0 H TRP A 52 26.584 -16.606 8.862 1.00 42.04 H new ATOM 0 HA TRP A 52 24.125 -18.150 9.177 1.00 31.04 H new ATOM 0 HB2 TRP A 52 25.259 -16.202 7.127 1.00 75.43 H new ATOM 0 HB3 TRP A 52 23.857 -17.182 6.746 1.00 75.43 H new ATOM 0 HD1 TRP A 52 24.855 -15.147 9.923 1.00 33.04 H new ATOM 0 HE1 TRP A 52 22.825 -13.712 10.649 1.00 11.32 H new ATOM 0 HE3 TRP A 52 21.612 -16.443 6.217 1.00 64.11 H new ATOM 0 HZ2 TRP A 52 20.153 -13.201 9.677 1.00 55.12 H new ATOM 0 HZ3 TRP A 52 19.341 -15.467 6.125 1.00 45.22 H new ATOM 0 HH2 TRP A 52 18.608 -13.849 7.850 1.00 64.43 H new ATOM 855 N VAL A 53 24.512 -20.013 7.580 1.00 64.50 N ATOM 856 CA VAL A 53 24.781 -21.180 6.760 1.00 13.22 C ATOM 857 C VAL A 53 23.633 -21.363 5.761 1.00 24.40 C ATOM 858 O VAL A 53 22.456 -21.369 6.150 1.00 52.11 O ATOM 859 CB VAL A 53 24.910 -22.423 7.662 1.00 15.40 C ATOM 860 CG1 VAL A 53 24.989 -23.698 6.812 1.00 70.32 C ATOM 861 CG2 VAL A 53 26.166 -22.305 8.537 1.00 70.32 C ATOM 0 H VAL A 53 23.609 -20.034 8.054 1.00 64.50 H new ATOM 0 HA VAL A 53 25.714 -21.046 6.213 1.00 13.22 H new ATOM 0 HB VAL A 53 24.029 -22.482 8.301 1.00 15.40 H new ATOM 0 HG11 VAL A 53 25.080 -24.566 7.465 1.00 70.32 H new ATOM 0 HG12 VAL A 53 24.085 -23.790 6.210 1.00 70.32 H new ATOM 0 HG13 VAL A 53 25.858 -23.645 6.156 1.00 70.32 H new ATOM 0 HG21 VAL A 53 26.251 -23.187 9.172 1.00 70.32 H new ATOM 0 HG22 VAL A 53 27.047 -22.230 7.900 1.00 70.32 H new ATOM 0 HG23 VAL A 53 26.092 -21.414 9.161 1.00 70.32 H new ATOM 871 N ILE A 54 23.968 -21.510 4.485 1.00 31.32 N ATOM 872 CA ILE A 54 22.956 -21.691 3.450 1.00 2.42 C ATOM 873 C ILE A 54 23.184 -22.999 2.699 1.00 55.44 C ATOM 874 O ILE A 54 24.293 -23.273 2.227 1.00 64.42 O ATOM 875 CB ILE A 54 22.955 -20.493 2.475 1.00 61.22 C ATOM 876 CG1 ILE A 54 22.703 -19.188 3.252 1.00 70.55 C ATOM 877 CG2 ILE A 54 21.854 -20.674 1.421 1.00 73.52 C ATOM 878 CD1 ILE A 54 21.350 -19.251 3.973 1.00 33.44 C ATOM 0 H ILE A 54 24.929 -21.508 4.142 1.00 31.32 H new ATOM 0 HA ILE A 54 21.979 -21.740 3.930 1.00 2.42 H new ATOM 0 HB ILE A 54 23.925 -20.442 1.980 1.00 61.22 H new ATOM 0 HG12 ILE A 54 23.502 -19.028 3.976 1.00 70.55 H new ATOM 0 HG13 ILE A 54 22.719 -18.340 2.567 1.00 70.55 H new ATOM 0 HG21 ILE A 54 21.861 -19.825 0.738 1.00 73.52 H new ATOM 0 HG22 ILE A 54 22.034 -21.592 0.861 1.00 73.52 H new ATOM 0 HG23 ILE A 54 20.884 -20.735 1.915 1.00 73.52 H new ATOM 0 HD11 ILE A 54 21.185 -18.322 4.518 1.00 33.44 H new ATOM 0 HD12 ILE A 54 20.554 -19.389 3.241 1.00 33.44 H new ATOM 0 HD13 ILE A 54 21.349 -20.087 4.672 1.00 33.44 H new ATOM 890 N GLY A 55 22.142 -23.803 2.592 1.00 44.24 N ATOM 891 CA GLY A 55 22.225 -25.067 1.880 1.00 72.21 C ATOM 892 C GLY A 55 22.359 -24.851 0.377 1.00 2.10 C ATOM 893 O GLY A 55 23.099 -25.573 -0.301 1.00 62.13 O ATOM 0 H GLY A 55 21.225 -23.603 2.990 1.00 44.24 H new ATOM 0 HA2 GLY A 55 23.080 -25.636 2.245 1.00 72.21 H new ATOM 0 HA3 GLY A 55 21.335 -25.661 2.086 1.00 72.21 H new ATOM 897 N GLN A 56 21.568 -23.925 -0.158 1.00 71.41 N ATOM 898 CA GLN A 56 21.490 -23.725 -1.605 1.00 61.53 C ATOM 899 C GLN A 56 22.834 -23.301 -2.186 1.00 71.41 C ATOM 900 O GLN A 56 23.272 -23.822 -3.213 1.00 14.44 O ATOM 901 CB GLN A 56 20.446 -22.646 -1.938 1.00 1.42 C ATOM 902 CG GLN A 56 19.175 -22.838 -1.095 1.00 54.32 C ATOM 903 CD GLN A 56 18.663 -24.271 -1.202 1.00 14.01 C ATOM 904 OE1 GLN A 56 19.147 -25.159 -0.499 1.00 34.33 O ATOM 905 NE2 GLN A 56 17.720 -24.550 -2.033 1.00 5.11 N ATOM 0 H GLN A 56 20.972 -23.301 0.386 1.00 71.41 H new ATOM 0 HA GLN A 56 21.200 -24.678 -2.048 1.00 61.53 H new ATOM 0 HB2 GLN A 56 20.866 -21.658 -1.751 1.00 1.42 H new ATOM 0 HB3 GLN A 56 20.195 -22.691 -2.998 1.00 1.42 H new ATOM 0 HG2 GLN A 56 19.386 -22.600 -0.052 1.00 54.32 H new ATOM 0 HG3 GLN A 56 18.403 -22.146 -1.431 1.00 54.32 H new ATOM 0 HE21 GLN A 56 17.319 -23.815 -2.615 1.00 5.11 H new ATOM 0 HE22 GLN A 56 17.374 -25.506 -2.109 1.00 5.11 H new ATOM 914 N ARG A 57 23.468 -22.344 -1.540 1.00 54.23 N ATOM 915 CA ARG A 57 24.751 -21.816 -1.989 1.00 14.45 C ATOM 916 C ARG A 57 25.612 -21.424 -0.806 1.00 42.21 C ATOM 917 O ARG A 57 25.239 -21.648 0.350 1.00 54.43 O ATOM 918 CB ARG A 57 24.566 -20.595 -2.902 1.00 41.54 C ATOM 919 CG ARG A 57 24.009 -21.000 -4.274 1.00 32.25 C ATOM 920 CD ARG A 57 23.876 -19.731 -5.117 1.00 32.13 C ATOM 921 NE ARG A 57 25.203 -19.124 -5.246 1.00 22.13 N ATOM 922 CZ ARG A 57 25.402 -17.808 -5.211 1.00 2.30 C ATOM 923 NH1 ARG A 57 24.389 -16.988 -5.244 1.00 74.12 N ATOM 924 NH2 ARG A 57 26.612 -17.346 -5.186 1.00 71.11 N ATOM 0 H ARG A 57 23.113 -21.907 -0.689 1.00 54.23 H new ATOM 0 HA ARG A 57 25.245 -22.607 -2.554 1.00 14.45 H new ATOM 0 HB2 ARG A 57 23.889 -19.884 -2.428 1.00 41.54 H new ATOM 0 HB3 ARG A 57 25.522 -20.087 -3.031 1.00 41.54 H new ATOM 0 HG2 ARG A 57 24.674 -21.714 -4.761 1.00 32.25 H new ATOM 0 HG3 ARG A 57 23.041 -21.489 -4.164 1.00 32.25 H new ATOM 0 HD2 ARG A 57 23.470 -19.969 -6.100 1.00 32.13 H new ATOM 0 HD3 ARG A 57 23.183 -19.033 -4.646 1.00 32.13 H new ATOM 0 HE ARG A 57 26.010 -19.736 -5.368 1.00 22.13 H new ATOM 0 HH11 ARG A 57 23.438 -17.354 -5.297 1.00 74.12 H new ATOM 0 HH12 ARG A 57 24.547 -15.981 -5.217 1.00 74.12 H new ATOM 0 HH21 ARG A 57 27.404 -17.989 -5.193 1.00 71.11 H new ATOM 0 HH22 ARG A 57 26.773 -16.339 -5.159 1.00 71.11 H new ATOM 938 N LEU A 58 26.711 -20.746 -1.095 1.00 65.05 N ATOM 939 CA LEU A 58 27.569 -20.232 -0.055 1.00 31.53 C ATOM 940 C LEU A 58 26.830 -19.141 0.692 1.00 54.55 C ATOM 941 O LEU A 58 26.232 -18.251 0.079 1.00 13.21 O ATOM 942 CB LEU A 58 28.841 -19.643 -0.675 1.00 52.33 C ATOM 943 CG LEU A 58 29.604 -20.730 -1.445 1.00 32.24 C ATOM 944 CD1 LEU A 58 30.795 -20.106 -2.168 1.00 61.12 C ATOM 945 CD2 LEU A 58 30.110 -21.791 -0.471 1.00 55.40 C ATOM 0 H LEU A 58 27.025 -20.542 -2.044 1.00 65.05 H new ATOM 0 HA LEU A 58 27.841 -21.038 0.626 1.00 31.53 H new ATOM 0 HB2 LEU A 58 28.582 -18.824 -1.346 1.00 52.33 H new ATOM 0 HB3 LEU A 58 29.476 -19.226 0.106 1.00 52.33 H new ATOM 0 HG LEU A 58 28.934 -21.190 -2.171 1.00 32.24 H new ATOM 0 HD11 LEU A 58 31.335 -20.879 -2.714 1.00 61.12 H new ATOM 0 HD12 LEU A 58 30.440 -19.349 -2.867 1.00 61.12 H new ATOM 0 HD13 LEU A 58 31.461 -19.644 -1.440 1.00 61.12 H new ATOM 0 HD21 LEU A 58 30.651 -22.561 -1.021 1.00 55.40 H new ATOM 0 HD22 LEU A 58 30.777 -21.328 0.257 1.00 55.40 H new ATOM 0 HD23 LEU A 58 29.264 -22.242 0.047 1.00 55.40 H new ATOM 957 N ALA A 59 26.881 -19.191 2.003 1.00 35.55 N ATOM 958 CA ALA A 59 26.208 -18.197 2.819 1.00 42.01 C ATOM 959 C ALA A 59 26.940 -16.872 2.739 1.00 65.22 C ATOM 960 O ALA A 59 27.329 -16.301 3.773 1.00 41.30 O ATOM 961 CB ALA A 59 26.130 -18.667 4.273 1.00 11.31 C ATOM 0 H ALA A 59 27.380 -19.907 2.531 1.00 35.55 H new ATOM 0 HA ALA A 59 25.195 -18.064 2.440 1.00 42.01 H new ATOM 0 HB1 ALA A 59 25.623 -17.911 4.873 1.00 11.31 H new ATOM 0 HB2 ALA A 59 25.574 -19.603 4.323 1.00 11.31 H new ATOM 0 HB3 ALA A 59 27.137 -18.822 4.660 1.00 11.31 H new ATOM 967 N ARG A 60 27.189 -16.407 1.522 1.00 75.14 N ATOM 968 CA ARG A 60 27.929 -15.174 1.354 1.00 23.34 C ATOM 969 C ARG A 60 27.111 -13.982 1.781 1.00 54.11 C ATOM 970 O ARG A 60 25.909 -13.905 1.531 1.00 12.14 O ATOM 971 CB ARG A 60 28.499 -15.005 -0.056 1.00 30.40 C ATOM 972 CG ARG A 60 29.438 -13.779 -0.089 1.00 11.11 C ATOM 973 CD ARG A 60 30.626 -13.967 0.890 1.00 21.13 C ATOM 974 NE ARG A 60 30.913 -15.390 1.128 1.00 41.43 N ATOM 975 CZ ARG A 60 30.877 -15.950 2.354 1.00 20.23 C ATOM 976 NH1 ARG A 60 30.631 -15.222 3.419 1.00 64.24 N ATOM 977 NH2 ARG A 60 31.109 -17.224 2.485 1.00 14.15 N ATOM 0 H ARG A 60 26.894 -16.858 0.656 1.00 75.14 H new ATOM 0 HA ARG A 60 28.793 -15.237 2.016 1.00 23.34 H new ATOM 0 HB2 ARG A 60 29.044 -15.902 -0.349 1.00 30.40 H new ATOM 0 HB3 ARG A 60 27.689 -14.876 -0.774 1.00 30.40 H new ATOM 0 HG2 ARG A 60 29.815 -13.632 -1.101 1.00 11.11 H new ATOM 0 HG3 ARG A 60 28.880 -12.881 0.177 1.00 11.11 H new ATOM 0 HD2 ARG A 60 31.513 -13.479 0.485 1.00 21.13 H new ATOM 0 HD3 ARG A 60 30.398 -13.478 1.837 1.00 21.13 H new ATOM 0 HE ARG A 60 31.150 -15.979 0.330 1.00 41.43 H new ATOM 0 HH11 ARG A 60 30.464 -14.220 3.325 1.00 64.24 H new ATOM 0 HH12 ARG A 60 30.607 -15.658 4.341 1.00 64.24 H new ATOM 0 HH21 ARG A 60 31.316 -17.792 1.663 1.00 14.15 H new ATOM 0 HH22 ARG A 60 31.084 -17.655 3.409 1.00 14.15 H new ATOM 991 N ASP A 61 27.748 -13.143 2.556 1.00 5.24 N ATOM 992 CA ASP A 61 27.113 -12.027 3.213 1.00 62.30 C ATOM 993 C ASP A 61 26.653 -10.998 2.206 1.00 23.25 C ATOM 994 O ASP A 61 25.610 -10.390 2.367 1.00 41.02 O ATOM 995 CB ASP A 61 28.144 -11.378 4.135 1.00 4.03 C ATOM 996 CG ASP A 61 28.887 -12.460 4.893 1.00 13.24 C ATOM 997 OD1 ASP A 61 29.874 -12.950 4.358 1.00 24.14 O ATOM 998 OD2 ASP A 61 28.470 -12.802 5.975 1.00 33.05 O ATOM 0 H ASP A 61 28.746 -13.217 2.753 1.00 5.24 H new ATOM 0 HA ASP A 61 26.245 -12.382 3.768 1.00 62.30 H new ATOM 0 HB2 ASP A 61 28.844 -10.779 3.553 1.00 4.03 H new ATOM 0 HB3 ASP A 61 27.650 -10.702 4.833 1.00 4.03 H new ATOM 1003 N GLN A 62 27.528 -10.685 1.275 1.00 12.52 N ATOM 1004 CA GLN A 62 27.304 -9.580 0.353 1.00 34.33 C ATOM 1005 C GLN A 62 26.199 -9.845 -0.664 1.00 44.45 C ATOM 1006 O GLN A 62 25.508 -8.908 -1.087 1.00 1.43 O ATOM 1007 CB GLN A 62 28.611 -9.179 -0.326 1.00 0.02 C ATOM 1008 CG GLN A 62 29.542 -8.591 0.744 1.00 25.23 C ATOM 1009 CD GLN A 62 30.899 -8.239 0.160 1.00 11.12 C ATOM 1010 OE1 GLN A 62 31.109 -8.344 -1.052 1.00 1.45 O ATOM 1011 NE2 GLN A 62 31.841 -7.832 0.946 1.00 15.21 N ATOM 0 H GLN A 62 28.408 -11.180 1.132 1.00 12.52 H new ATOM 0 HA GLN A 62 26.947 -8.742 0.952 1.00 34.33 H new ATOM 0 HB2 GLN A 62 29.075 -10.044 -0.801 1.00 0.02 H new ATOM 0 HB3 GLN A 62 28.423 -8.447 -1.111 1.00 0.02 H new ATOM 0 HG2 GLN A 62 29.087 -7.699 1.175 1.00 25.23 H new ATOM 0 HG3 GLN A 62 29.667 -9.309 1.555 1.00 25.23 H new ATOM 0 HE21 GLN A 62 31.668 -7.745 1.947 1.00 15.21 H new ATOM 0 HE22 GLN A 62 32.758 -7.598 0.565 1.00 15.21 H new ATOM 1020 N GLU A 63 26.050 -11.093 -1.090 1.00 4.31 N ATOM 1021 CA GLU A 63 25.061 -11.406 -2.123 1.00 63.23 C ATOM 1022 C GLU A 63 23.641 -11.047 -1.709 1.00 22.23 C ATOM 1023 O GLU A 63 23.298 -11.021 -0.516 1.00 10.12 O ATOM 1024 CB GLU A 63 25.121 -12.872 -2.581 1.00 4.24 C ATOM 1025 CG GLU A 63 26.290 -13.076 -3.559 1.00 13.54 C ATOM 1026 CD GLU A 63 26.102 -14.360 -4.353 1.00 55.25 C ATOM 1027 OE1 GLU A 63 24.992 -14.612 -4.805 1.00 51.42 O ATOM 1028 OE2 GLU A 63 27.061 -15.064 -4.533 1.00 33.23 O ATOM 0 H GLU A 63 26.586 -11.891 -0.748 1.00 4.31 H new ATOM 0 HA GLU A 63 25.333 -10.777 -2.971 1.00 63.23 H new ATOM 0 HB2 GLU A 63 25.242 -13.526 -1.717 1.00 4.24 H new ATOM 0 HB3 GLU A 63 24.183 -13.149 -3.062 1.00 4.24 H new ATOM 0 HG2 GLU A 63 26.355 -12.227 -4.239 1.00 13.54 H new ATOM 0 HG3 GLU A 63 27.230 -13.116 -3.008 1.00 13.54 H new ATOM 1035 N THR A 64 22.828 -10.777 -2.716 1.00 35.12 N ATOM 1036 CA THR A 64 21.436 -10.447 -2.536 1.00 71.14 C ATOM 1037 C THR A 64 20.704 -11.650 -1.938 1.00 54.02 C ATOM 1038 O THR A 64 21.122 -12.792 -2.119 1.00 2.04 O ATOM 1039 CB THR A 64 20.823 -10.083 -3.898 1.00 71.33 C ATOM 1040 OG1 THR A 64 21.870 -9.825 -4.834 1.00 5.15 O ATOM 1041 CG2 THR A 64 19.959 -8.832 -3.756 1.00 70.13 C ATOM 0 H THR A 64 23.126 -10.783 -3.692 1.00 35.12 H new ATOM 0 HA THR A 64 21.340 -9.598 -1.860 1.00 71.14 H new ATOM 0 HB THR A 64 20.208 -10.912 -4.249 1.00 71.33 H new ATOM 0 HG1 THR A 64 22.094 -10.652 -5.310 1.00 5.15 H new ATOM 0 HG21 THR A 64 19.526 -8.577 -4.723 1.00 70.13 H new ATOM 0 HG22 THR A 64 19.160 -9.021 -3.039 1.00 70.13 H new ATOM 0 HG23 THR A 64 20.573 -8.003 -3.404 1.00 70.13 H new ATOM 1049 N LEU A 65 19.629 -11.402 -1.220 1.00 11.25 N ATOM 1050 CA LEU A 65 18.911 -12.482 -0.563 1.00 22.02 C ATOM 1051 C LEU A 65 18.398 -13.458 -1.599 1.00 11.33 C ATOM 1052 O LEU A 65 18.480 -14.677 -1.414 1.00 62.22 O ATOM 1053 CB LEU A 65 17.746 -11.940 0.268 1.00 34.52 C ATOM 1054 CG LEU A 65 18.281 -11.064 1.411 1.00 14.33 C ATOM 1055 CD1 LEU A 65 17.120 -10.511 2.224 1.00 43.21 C ATOM 1056 CD2 LEU A 65 19.218 -11.862 2.318 1.00 30.03 C ATOM 0 H LEU A 65 19.233 -10.473 -1.075 1.00 11.25 H new ATOM 0 HA LEU A 65 19.599 -12.994 0.110 1.00 22.02 H new ATOM 0 HB2 LEU A 65 17.076 -11.358 -0.365 1.00 34.52 H new ATOM 0 HB3 LEU A 65 17.162 -12.766 0.674 1.00 34.52 H new ATOM 0 HG LEU A 65 18.845 -10.239 0.977 1.00 14.33 H new ATOM 0 HD11 LEU A 65 17.505 -9.891 3.033 1.00 43.21 H new ATOM 0 HD12 LEU A 65 16.478 -9.910 1.580 1.00 43.21 H new ATOM 0 HD13 LEU A 65 16.543 -11.336 2.642 1.00 43.21 H new ATOM 0 HD21 LEU A 65 19.583 -11.220 3.119 1.00 30.03 H new ATOM 0 HD22 LEU A 65 18.678 -12.706 2.747 1.00 30.03 H new ATOM 0 HD23 LEU A 65 20.062 -12.230 1.735 1.00 30.03 H new ATOM 1068 N HIS A 66 17.935 -12.930 -2.721 1.00 73.23 N ATOM 1069 CA HIS A 66 17.470 -13.777 -3.811 1.00 34.14 C ATOM 1070 C HIS A 66 18.539 -14.810 -4.168 1.00 10.32 C ATOM 1071 O HIS A 66 18.219 -15.911 -4.607 1.00 1.13 O ATOM 1072 CB HIS A 66 17.104 -12.940 -5.042 1.00 25.42 C ATOM 1073 CG HIS A 66 16.135 -13.706 -5.912 1.00 52.33 C ATOM 1074 ND1 HIS A 66 16.498 -14.865 -6.582 1.00 11.11 N ATOM 1075 CD2 HIS A 66 14.821 -13.476 -6.249 1.00 15.50 C ATOM 1076 CE1 HIS A 66 15.423 -15.280 -7.285 1.00 44.55 C ATOM 1077 NE2 HIS A 66 14.375 -14.468 -7.117 1.00 53.54 N ATOM 0 H HIS A 66 17.871 -11.928 -2.901 1.00 73.23 H new ATOM 0 HA HIS A 66 16.572 -14.298 -3.479 1.00 34.14 H new ATOM 0 HB2 HIS A 66 16.659 -11.995 -4.731 1.00 25.42 H new ATOM 0 HB3 HIS A 66 18.003 -12.698 -5.609 1.00 25.42 H new ATOM 0 HD1 HIS A 66 17.410 -15.320 -6.549 1.00 11.11 H new ATOM 0 HD2 HIS A 66 14.225 -12.649 -5.893 1.00 15.50 H new ATOM 0 HE1 HIS A 66 15.411 -16.162 -7.908 1.00 44.55 H new ATOM 1086 N SER A 67 19.812 -14.480 -3.911 1.00 14.51 N ATOM 1087 CA SER A 67 20.906 -15.424 -4.160 1.00 21.22 C ATOM 1088 C SER A 67 20.696 -16.704 -3.359 1.00 5.04 C ATOM 1089 O SER A 67 20.899 -17.805 -3.865 1.00 31.30 O ATOM 1090 CB SER A 67 22.267 -14.814 -3.805 1.00 53.23 C ATOM 1091 OG SER A 67 22.622 -13.800 -4.751 1.00 52.30 O ATOM 0 H SER A 67 20.106 -13.578 -3.536 1.00 14.51 H new ATOM 0 HA SER A 67 20.902 -15.656 -5.225 1.00 21.22 H new ATOM 0 HB2 SER A 67 22.231 -14.388 -2.802 1.00 53.23 H new ATOM 0 HB3 SER A 67 23.030 -15.593 -3.794 1.00 53.23 H new ATOM 0 HG SER A 67 23.576 -13.870 -4.962 1.00 52.30 H new ATOM 1097 N HIS A 68 20.219 -16.559 -2.136 1.00 71.23 N ATOM 1098 CA HIS A 68 19.892 -17.718 -1.309 1.00 44.15 C ATOM 1099 C HIS A 68 18.687 -18.439 -1.908 1.00 51.40 C ATOM 1100 O HIS A 68 18.375 -19.579 -1.549 1.00 71.43 O ATOM 1101 CB HIS A 68 19.602 -17.268 0.142 1.00 24.14 C ATOM 1102 CG HIS A 68 18.804 -18.320 0.882 1.00 33.13 C ATOM 1103 ND1 HIS A 68 19.375 -19.156 1.824 1.00 40.22 N ATOM 1104 CD2 HIS A 68 17.477 -18.672 0.824 1.00 74.41 C ATOM 1105 CE1 HIS A 68 18.397 -19.963 2.291 1.00 31.20 C ATOM 1106 NE2 HIS A 68 17.222 -19.704 1.711 1.00 62.11 N ATOM 0 H HIS A 68 20.048 -15.657 -1.691 1.00 71.23 H new ATOM 0 HA HIS A 68 20.738 -18.405 -1.286 1.00 44.15 H new ATOM 0 HB2 HIS A 68 20.541 -17.083 0.664 1.00 24.14 H new ATOM 0 HB3 HIS A 68 19.051 -16.327 0.133 1.00 24.14 H new ATOM 0 HD2 HIS A 68 16.741 -18.211 0.181 1.00 74.41 H new ATOM 0 HE1 HIS A 68 18.547 -20.725 3.042 1.00 31.20 H new ATOM 0 HE2 HIS A 68 16.330 -20.167 1.884 1.00 62.11 H new ATOM 1115 N GLY A 69 18.027 -17.769 -2.834 1.00 24.31 N ATOM 1116 CA GLY A 69 16.848 -18.309 -3.471 1.00 1.43 C ATOM 1117 C GLY A 69 15.600 -17.735 -2.836 1.00 24.22 C ATOM 1118 O GLY A 69 14.475 -18.127 -3.190 1.00 54.34 O ATOM 0 H GLY A 69 18.294 -16.841 -3.162 1.00 24.31 H new ATOM 0 HA2 GLY A 69 16.863 -18.077 -4.536 1.00 1.43 H new ATOM 0 HA3 GLY A 69 16.843 -19.395 -3.382 1.00 1.43 H new ATOM 1122 N VAL A 70 15.776 -16.752 -1.942 1.00 14.11 N ATOM 1123 CA VAL A 70 14.620 -16.122 -1.342 1.00 2.23 C ATOM 1124 C VAL A 70 13.920 -15.295 -2.404 1.00 63.41 C ATOM 1125 O VAL A 70 14.094 -14.080 -2.497 1.00 21.42 O ATOM 1126 CB VAL A 70 15.030 -15.215 -0.162 1.00 22.03 C ATOM 1127 CG1 VAL A 70 13.806 -14.912 0.708 1.00 73.22 C ATOM 1128 CG2 VAL A 70 16.098 -15.901 0.695 1.00 4.51 C ATOM 0 H VAL A 70 16.680 -16.394 -1.634 1.00 14.11 H new ATOM 0 HA VAL A 70 13.953 -16.893 -0.955 1.00 2.23 H new ATOM 0 HB VAL A 70 15.437 -14.287 -0.564 1.00 22.03 H new ATOM 0 HG11 VAL A 70 14.100 -14.272 1.540 1.00 73.22 H new ATOM 0 HG12 VAL A 70 13.050 -14.404 0.109 1.00 73.22 H new ATOM 0 HG13 VAL A 70 13.395 -15.844 1.096 1.00 73.22 H new ATOM 0 HG21 VAL A 70 16.376 -15.248 1.522 1.00 4.51 H new ATOM 0 HG22 VAL A 70 15.702 -16.837 1.089 1.00 4.51 H new ATOM 0 HG23 VAL A 70 16.977 -16.107 0.085 1.00 4.51 H new ATOM 1138 N ARG A 71 13.114 -15.969 -3.186 1.00 60.24 N ATOM 1139 CA ARG A 71 12.321 -15.338 -4.218 1.00 5.14 C ATOM 1140 C ARG A 71 11.160 -14.615 -3.580 1.00 73.44 C ATOM 1141 O ARG A 71 10.712 -13.572 -4.050 1.00 42.30 O ATOM 1142 CB ARG A 71 11.808 -16.406 -5.175 1.00 72.31 C ATOM 1143 CG ARG A 71 12.998 -17.088 -5.869 1.00 42.42 C ATOM 1144 CD ARG A 71 12.725 -18.589 -5.955 1.00 13.23 C ATOM 1145 NE ARG A 71 12.773 -19.174 -4.616 1.00 43.00 N ATOM 1146 CZ ARG A 71 12.196 -20.341 -4.335 1.00 42.14 C ATOM 1147 NH1 ARG A 71 11.589 -21.012 -5.281 1.00 15.55 N ATOM 1148 NH2 ARG A 71 12.247 -20.813 -3.118 1.00 31.11 N ATOM 0 H ARG A 71 12.987 -16.979 -3.126 1.00 60.24 H new ATOM 0 HA ARG A 71 12.928 -14.621 -4.771 1.00 5.14 H new ATOM 0 HB2 ARG A 71 11.219 -17.144 -4.631 1.00 72.31 H new ATOM 0 HB3 ARG A 71 11.149 -15.957 -5.918 1.00 72.31 H new ATOM 0 HG2 ARG A 71 13.141 -16.673 -6.867 1.00 42.42 H new ATOM 0 HG3 ARG A 71 13.916 -16.903 -5.312 1.00 42.42 H new ATOM 0 HD2 ARG A 71 11.748 -18.766 -6.405 1.00 13.23 H new ATOM 0 HD3 ARG A 71 13.464 -19.067 -6.598 1.00 13.23 H new ATOM 0 HE ARG A 71 13.263 -18.673 -3.875 1.00 43.00 H new ATOM 0 HH11 ARG A 71 11.559 -20.641 -6.231 1.00 15.55 H new ATOM 0 HH12 ARG A 71 11.146 -21.906 -5.069 1.00 15.55 H new ATOM 0 HH21 ARG A 71 12.727 -20.288 -2.387 1.00 31.11 H new ATOM 0 HH22 ARG A 71 11.806 -21.706 -2.899 1.00 31.11 H new ATOM 1162 N GLN A 72 10.618 -15.256 -2.566 1.00 22.33 N ATOM 1163 CA GLN A 72 9.441 -14.793 -1.869 1.00 11.22 C ATOM 1164 C GLN A 72 9.504 -15.261 -0.431 1.00 63.41 C ATOM 1165 O GLN A 72 10.397 -16.032 -0.065 1.00 54.20 O ATOM 1166 CB GLN A 72 8.182 -15.350 -2.549 1.00 72.22 C ATOM 1167 CG GLN A 72 8.305 -16.878 -2.703 1.00 11.44 C ATOM 1168 CD GLN A 72 7.956 -17.305 -4.124 1.00 64.24 C ATOM 1169 OE1 GLN A 72 7.257 -18.299 -4.318 1.00 55.53 O ATOM 1170 NE2 GLN A 72 8.407 -16.621 -5.131 1.00 55.43 N ATOM 0 H GLN A 72 10.992 -16.130 -2.197 1.00 22.33 H new ATOM 0 HA GLN A 72 9.401 -13.704 -1.896 1.00 11.22 H new ATOM 0 HB2 GLN A 72 7.300 -15.105 -1.958 1.00 72.22 H new ATOM 0 HB3 GLN A 72 8.050 -14.886 -3.527 1.00 72.22 H new ATOM 0 HG2 GLN A 72 9.321 -17.192 -2.462 1.00 11.44 H new ATOM 0 HG3 GLN A 72 7.641 -17.375 -1.995 1.00 11.44 H new ATOM 0 HE21 GLN A 72 8.986 -15.797 -4.969 1.00 55.43 H new ATOM 0 HE22 GLN A 72 8.182 -16.907 -6.084 1.00 55.43 H new ATOM 1179 N ASN A 73 8.551 -14.837 0.373 1.00 71.53 N ATOM 1180 CA ASN A 73 8.515 -15.247 1.770 1.00 20.42 C ATOM 1181 C ASN A 73 8.416 -16.755 1.867 1.00 52.02 C ATOM 1182 O ASN A 73 7.981 -17.416 0.921 1.00 44.32 O ATOM 1183 CB ASN A 73 7.332 -14.595 2.510 1.00 43.42 C ATOM 1184 CG ASN A 73 6.148 -15.549 2.596 1.00 52.31 C ATOM 1185 OD1 ASN A 73 5.914 -16.155 3.652 1.00 70.33 O ATOM 1186 ND2 ASN A 73 5.393 -15.723 1.562 1.00 55.51 N ATOM 0 H ASN A 73 7.795 -14.214 0.091 1.00 71.53 H new ATOM 0 HA ASN A 73 9.439 -14.915 2.244 1.00 20.42 H new ATOM 0 HB2 ASN A 73 7.642 -14.304 3.514 1.00 43.42 H new ATOM 0 HB3 ASN A 73 7.032 -13.684 1.992 1.00 43.42 H new ATOM 0 HD21 ASN A 73 4.599 -16.362 1.612 1.00 55.51 H new ATOM 0 HD22 ASN A 73 5.591 -15.222 0.696 1.00 55.51 H new ATOM 1193 N GLY A 74 8.786 -17.290 3.006 1.00 42.33 N ATOM 1194 CA GLY A 74 8.702 -18.721 3.226 1.00 72.21 C ATOM 1195 C GLY A 74 10.056 -19.380 3.114 1.00 53.51 C ATOM 1196 O GLY A 74 10.205 -20.557 3.448 1.00 53.41 O ATOM 0 H GLY A 74 9.149 -16.759 3.798 1.00 42.33 H new ATOM 0 HA2 GLY A 74 8.283 -18.914 4.214 1.00 72.21 H new ATOM 0 HA3 GLY A 74 8.020 -19.162 2.499 1.00 72.21 H new ATOM 1200 N ASP A 75 11.057 -18.630 2.665 1.00 74.32 N ATOM 1201 CA ASP A 75 12.394 -19.189 2.567 1.00 40.23 C ATOM 1202 C ASP A 75 13.014 -19.314 3.940 1.00 33.23 C ATOM 1203 O ASP A 75 12.711 -18.525 4.847 1.00 22.31 O ATOM 1204 CB ASP A 75 13.300 -18.391 1.633 1.00 54.44 C ATOM 1205 CG ASP A 75 14.273 -19.339 0.941 1.00 32.10 C ATOM 1206 OD1 ASP A 75 14.814 -20.208 1.608 1.00 41.44 O ATOM 1207 OD2 ASP A 75 14.452 -19.202 -0.250 1.00 43.04 O ATOM 0 H ASP A 75 10.970 -17.657 2.370 1.00 74.32 H new ATOM 0 HA ASP A 75 12.294 -20.182 2.129 1.00 40.23 H new ATOM 0 HB2 ASP A 75 12.701 -17.862 0.892 1.00 54.44 H new ATOM 0 HB3 ASP A 75 13.849 -17.637 2.197 1.00 54.44 H new ATOM 1212 N SER A 76 13.839 -20.317 4.109 1.00 54.11 N ATOM 1213 CA SER A 76 14.440 -20.599 5.400 1.00 54.23 C ATOM 1214 C SER A 76 15.963 -20.682 5.301 1.00 1.51 C ATOM 1215 O SER A 76 16.505 -21.145 4.290 1.00 74.44 O ATOM 1216 CB SER A 76 13.874 -21.916 5.947 1.00 52.41 C ATOM 1217 OG SER A 76 13.462 -22.749 4.853 1.00 21.32 O ATOM 0 H SER A 76 14.115 -20.959 3.366 1.00 54.11 H new ATOM 0 HA SER A 76 14.197 -19.782 6.080 1.00 54.23 H new ATOM 0 HB2 SER A 76 14.628 -22.428 6.545 1.00 52.41 H new ATOM 0 HB3 SER A 76 13.028 -21.716 6.605 1.00 52.41 H new ATOM 0 HG SER A 76 13.102 -23.591 5.201 1.00 21.32 H new ATOM 1223 N ALA A 77 16.647 -20.264 6.361 1.00 33.13 N ATOM 1224 CA ALA A 77 18.107 -20.307 6.420 1.00 74.42 C ATOM 1225 C ALA A 77 18.565 -20.818 7.782 1.00 71.15 C ATOM 1226 O ALA A 77 17.764 -20.905 8.724 1.00 14.41 O ATOM 1227 CB ALA A 77 18.695 -18.916 6.165 1.00 5.24 C ATOM 0 H ALA A 77 16.209 -19.887 7.201 1.00 33.13 H new ATOM 0 HA ALA A 77 18.462 -20.987 5.646 1.00 74.42 H new ATOM 0 HB1 ALA A 77 19.783 -18.966 6.213 1.00 5.24 H new ATOM 0 HB2 ALA A 77 18.391 -18.568 5.178 1.00 5.24 H new ATOM 0 HB3 ALA A 77 18.330 -18.222 6.923 1.00 5.24 H new ATOM 1233 N TYR A 78 19.846 -21.150 7.895 1.00 12.02 N ATOM 1234 CA TYR A 78 20.390 -21.644 9.156 1.00 11.21 C ATOM 1235 C TYR A 78 21.463 -20.715 9.697 1.00 11.53 C ATOM 1236 O TYR A 78 22.402 -20.345 8.981 1.00 70.42 O ATOM 1237 CB TYR A 78 20.946 -23.069 9.000 1.00 33.45 C ATOM 1238 CG TYR A 78 20.237 -23.987 9.972 1.00 43.33 C ATOM 1239 CD1 TYR A 78 20.446 -23.842 11.350 1.00 21.22 C ATOM 1240 CD2 TYR A 78 19.366 -24.975 9.498 1.00 61.00 C ATOM 1241 CE1 TYR A 78 19.782 -24.682 12.248 1.00 41.13 C ATOM 1242 CE2 TYR A 78 18.706 -25.817 10.398 1.00 1.34 C ATOM 1243 CZ TYR A 78 18.913 -25.670 11.773 1.00 43.02 C ATOM 1244 OH TYR A 78 18.257 -26.494 12.658 1.00 40.42 O ATOM 0 H TYR A 78 20.524 -21.087 7.135 1.00 12.02 H new ATOM 0 HA TYR A 78 19.570 -21.671 9.874 1.00 11.21 H new ATOM 0 HB2 TYR A 78 20.801 -23.419 7.978 1.00 33.45 H new ATOM 0 HB3 TYR A 78 22.019 -23.077 9.190 1.00 33.45 H new ATOM 0 HD1 TYR A 78 21.119 -23.082 11.718 1.00 21.22 H new ATOM 0 HD2 TYR A 78 19.204 -25.087 8.436 1.00 61.00 H new ATOM 0 HE1 TYR A 78 19.940 -24.568 13.310 1.00 41.13 H new ATOM 0 HE2 TYR A 78 18.036 -26.581 10.031 1.00 1.34 H new ATOM 0 HH TYR A 78 18.579 -26.320 13.567 1.00 40.42 H new ATOM 1254 N LEU A 79 21.351 -20.391 10.971 1.00 25.24 N ATOM 1255 CA LEU A 79 22.328 -19.560 11.645 1.00 53.21 C ATOM 1256 C LEU A 79 23.081 -20.405 12.660 1.00 53.55 C ATOM 1257 O LEU A 79 22.467 -21.090 13.487 1.00 62.25 O ATOM 1258 CB LEU A 79 21.617 -18.388 12.342 1.00 53.33 C ATOM 1259 CG LEU A 79 22.636 -17.438 12.988 1.00 44.43 C ATOM 1260 CD1 LEU A 79 23.476 -16.751 11.915 1.00 75.51 C ATOM 1261 CD2 LEU A 79 21.900 -16.376 13.802 1.00 71.21 C ATOM 0 H LEU A 79 20.581 -20.696 11.566 1.00 25.24 H new ATOM 0 HA LEU A 79 23.036 -19.155 10.922 1.00 53.21 H new ATOM 0 HB2 LEU A 79 21.012 -17.842 11.618 1.00 53.33 H new ATOM 0 HB3 LEU A 79 20.936 -18.770 13.103 1.00 53.33 H new ATOM 0 HG LEU A 79 23.291 -18.018 13.638 1.00 44.43 H new ATOM 0 HD11 LEU A 79 24.194 -16.081 12.388 1.00 75.51 H new ATOM 0 HD12 LEU A 79 24.010 -17.503 11.334 1.00 75.51 H new ATOM 0 HD13 LEU A 79 22.825 -16.178 11.255 1.00 75.51 H new ATOM 0 HD21 LEU A 79 22.624 -15.702 14.260 1.00 71.21 H new ATOM 0 HD22 LEU A 79 21.240 -15.808 13.147 1.00 71.21 H new ATOM 0 HD23 LEU A 79 21.310 -16.859 14.581 1.00 71.21 H new ATOM 1273 N TYR A 80 24.401 -20.385 12.583 1.00 5.12 N ATOM 1274 CA TYR A 80 25.227 -21.183 13.479 1.00 41.02 C ATOM 1275 C TYR A 80 25.818 -20.301 14.562 1.00 42.44 C ATOM 1276 O TYR A 80 26.529 -19.349 14.264 1.00 55.24 O ATOM 1277 CB TYR A 80 26.357 -21.853 12.685 1.00 20.13 C ATOM 1278 CG TYR A 80 27.199 -22.699 13.609 1.00 72.33 C ATOM 1279 CD1 TYR A 80 26.847 -24.031 13.857 1.00 60.13 C ATOM 1280 CD2 TYR A 80 28.327 -22.149 14.227 1.00 32.42 C ATOM 1281 CE1 TYR A 80 27.622 -24.810 14.719 1.00 34.21 C ATOM 1282 CE2 TYR A 80 29.102 -22.932 15.088 1.00 4.45 C ATOM 1283 CZ TYR A 80 28.748 -24.262 15.334 1.00 1.20 C ATOM 1284 OH TYR A 80 29.507 -25.030 16.184 1.00 2.11 O ATOM 0 H TYR A 80 24.925 -19.826 11.910 1.00 5.12 H new ATOM 0 HA TYR A 80 24.608 -21.951 13.943 1.00 41.02 H new ATOM 0 HB2 TYR A 80 25.939 -22.471 11.891 1.00 20.13 H new ATOM 0 HB3 TYR A 80 26.976 -21.095 12.206 1.00 20.13 H new ATOM 0 HD1 TYR A 80 25.976 -24.456 13.381 1.00 60.13 H new ATOM 0 HD2 TYR A 80 28.599 -21.121 14.039 1.00 32.42 H new ATOM 0 HE1 TYR A 80 27.349 -25.837 14.910 1.00 34.21 H new ATOM 0 HE2 TYR A 80 29.975 -22.509 15.563 1.00 4.45 H new ATOM 0 HH TYR A 80 30.255 -24.497 16.526 1.00 2.11 H new ATOM 1294 N LEU A 81 25.551 -20.631 15.813 1.00 0.03 N ATOM 1295 CA LEU A 81 26.078 -19.851 16.922 1.00 31.14 C ATOM 1296 C LEU A 81 27.168 -20.591 17.669 1.00 52.43 C ATOM 1297 O LEU A 81 26.981 -21.729 18.111 1.00 25.33 O ATOM 1298 CB LEU A 81 24.958 -19.422 17.885 1.00 11.44 C ATOM 1299 CG LEU A 81 24.332 -18.114 17.397 1.00 63.32 C ATOM 1300 CD1 LEU A 81 23.711 -18.314 16.023 1.00 74.33 C ATOM 1301 CD2 LEU A 81 23.262 -17.640 18.382 1.00 62.13 C ATOM 0 H LEU A 81 24.976 -21.428 16.087 1.00 0.03 H new ATOM 0 HA LEU A 81 26.524 -18.954 16.493 1.00 31.14 H new ATOM 0 HB2 LEU A 81 24.198 -20.201 17.944 1.00 11.44 H new ATOM 0 HB3 LEU A 81 25.359 -19.292 18.890 1.00 11.44 H new ATOM 0 HG LEU A 81 25.114 -17.357 17.330 1.00 63.32 H new ATOM 0 HD11 LEU A 81 23.268 -17.378 15.684 1.00 74.33 H new ATOM 0 HD12 LEU A 81 24.481 -18.627 15.318 1.00 74.33 H new ATOM 0 HD13 LEU A 81 22.938 -19.081 16.081 1.00 74.33 H new ATOM 0 HD21 LEU A 81 22.824 -16.708 18.023 1.00 62.13 H new ATOM 0 HD22 LEU A 81 22.483 -18.398 18.466 1.00 62.13 H new ATOM 0 HD23 LEU A 81 23.715 -17.475 19.360 1.00 62.13 H new ATOM 1313 N LEU A 82 28.276 -19.901 17.883 1.00 41.20 N ATOM 1314 CA LEU A 82 29.368 -20.429 18.683 1.00 33.24 C ATOM 1315 C LEU A 82 28.987 -20.326 20.140 1.00 52.35 C ATOM 1316 O LEU A 82 27.949 -19.751 20.472 1.00 61.23 O ATOM 1317 CB LEU A 82 30.671 -19.638 18.442 1.00 34.41 C ATOM 1318 CG LEU A 82 31.320 -20.007 17.091 1.00 5.31 C ATOM 1319 CD1 LEU A 82 31.859 -21.440 17.129 1.00 4.22 C ATOM 1320 CD2 LEU A 82 30.312 -19.865 15.949 1.00 74.54 C ATOM 0 H LEU A 82 28.443 -18.966 17.510 1.00 41.20 H new ATOM 0 HA LEU A 82 29.543 -21.467 18.399 1.00 33.24 H new ATOM 0 HB2 LEU A 82 30.457 -18.569 18.464 1.00 34.41 H new ATOM 0 HB3 LEU A 82 31.374 -19.839 19.251 1.00 34.41 H new ATOM 0 HG LEU A 82 32.148 -19.320 16.916 1.00 5.31 H new ATOM 0 HD11 LEU A 82 32.313 -21.684 16.168 1.00 4.22 H new ATOM 0 HD12 LEU A 82 32.608 -21.526 17.917 1.00 4.22 H new ATOM 0 HD13 LEU A 82 31.040 -22.131 17.329 1.00 4.22 H new ATOM 0 HD21 LEU A 82 30.791 -20.130 15.006 1.00 74.54 H new ATOM 0 HD22 LEU A 82 29.466 -20.529 16.126 1.00 74.54 H new ATOM 0 HD23 LEU A 82 29.960 -18.834 15.900 1.00 74.54 H new ATOM 1332 N SER A 83 29.837 -20.832 21.010 1.00 72.52 N ATOM 1333 CA SER A 83 29.601 -20.733 22.437 1.00 14.32 C ATOM 1334 C SER A 83 29.633 -19.265 22.881 1.00 12.51 C ATOM 1335 O SER A 83 30.453 -18.861 23.717 1.00 43.32 O ATOM 1336 CB SER A 83 30.633 -21.564 23.196 1.00 65.22 C ATOM 1337 OG SER A 83 30.930 -22.747 22.446 1.00 63.53 O ATOM 0 H SER A 83 30.698 -21.316 20.755 1.00 72.52 H new ATOM 0 HA SER A 83 28.612 -21.130 22.665 1.00 14.32 H new ATOM 0 HB2 SER A 83 31.541 -20.982 23.354 1.00 65.22 H new ATOM 0 HB3 SER A 83 30.250 -21.830 24.181 1.00 65.22 H new ATOM 0 HG SER A 83 31.594 -23.283 22.929 1.00 63.53 H new ATOM 1343 N ALA A 84 28.765 -18.464 22.283 1.00 2.42 N ATOM 1344 CA ALA A 84 28.666 -17.044 22.577 1.00 12.40 C ATOM 1345 C ALA A 84 27.208 -16.652 22.702 1.00 24.54 C ATOM 1346 O ALA A 84 26.337 -17.298 22.130 1.00 65.31 O ATOM 1347 CB ALA A 84 29.347 -16.208 21.484 1.00 41.54 C ATOM 0 H ALA A 84 28.105 -18.784 21.575 1.00 2.42 H new ATOM 0 HA ALA A 84 29.177 -16.847 23.520 1.00 12.40 H new ATOM 0 HB1 ALA A 84 29.259 -15.149 21.728 1.00 41.54 H new ATOM 0 HB2 ALA A 84 30.401 -16.480 21.422 1.00 41.54 H new ATOM 0 HB3 ALA A 84 28.865 -16.401 20.525 1.00 41.54 H new ATOM 1353 N ARG A 85 26.947 -15.638 23.496 1.00 20.43 N ATOM 1354 CA ARG A 85 25.586 -15.182 23.752 1.00 2.21 C ATOM 1355 C ARG A 85 25.493 -13.667 23.812 1.00 70.24 C ATOM 1356 O ARG A 85 26.486 -12.978 24.059 1.00 2.14 O ATOM 1357 CB ARG A 85 25.028 -15.848 25.008 1.00 3.12 C ATOM 1358 CG ARG A 85 24.331 -17.154 24.602 1.00 73.00 C ATOM 1359 CD ARG A 85 24.144 -18.060 25.820 1.00 4.44 C ATOM 1360 NE ARG A 85 25.419 -18.679 26.195 1.00 10.23 N ATOM 1361 CZ ARG A 85 25.974 -19.633 25.443 1.00 63.44 C ATOM 1362 NH1 ARG A 85 25.412 -19.957 24.308 1.00 54.33 N ATOM 1363 NH2 ARG A 85 27.074 -20.220 25.832 1.00 55.53 N ATOM 0 H ARG A 85 27.665 -15.103 23.984 1.00 20.43 H new ATOM 0 HA ARG A 85 24.964 -15.487 22.910 1.00 2.21 H new ATOM 0 HB2 ARG A 85 25.831 -16.052 25.716 1.00 3.12 H new ATOM 0 HB3 ARG A 85 24.324 -15.183 25.508 1.00 3.12 H new ATOM 0 HG2 ARG A 85 23.363 -16.933 24.154 1.00 73.00 H new ATOM 0 HG3 ARG A 85 24.922 -17.669 23.845 1.00 73.00 H new ATOM 0 HD2 ARG A 85 23.754 -17.480 26.656 1.00 4.44 H new ATOM 0 HD3 ARG A 85 23.408 -18.833 25.597 1.00 4.44 H new ATOM 0 HE ARG A 85 25.891 -18.375 27.047 1.00 10.23 H new ATOM 0 HH11 ARG A 85 24.561 -19.483 24.007 1.00 54.33 H new ATOM 0 HH12 ARG A 85 25.825 -20.684 23.724 1.00 54.33 H new ATOM 0 HH21 ARG A 85 27.512 -19.950 26.713 1.00 55.53 H new ATOM 0 HH22 ARG A 85 27.495 -20.948 25.255 1.00 55.53 H new ATOM 1377 N ASN A 86 24.304 -13.157 23.550 1.00 72.42 N ATOM 1378 CA ASN A 86 24.047 -11.715 23.473 1.00 43.42 C ATOM 1379 C ASN A 86 24.035 -11.085 24.852 1.00 13.12 C ATOM 1380 O ASN A 86 23.236 -10.188 25.139 1.00 21.14 O ATOM 1381 CB ASN A 86 22.704 -11.468 22.789 1.00 53.32 C ATOM 1382 CG ASN A 86 22.683 -12.180 21.451 1.00 11.41 C ATOM 1383 OD1 ASN A 86 23.404 -11.802 20.535 1.00 50.23 O ATOM 1384 ND2 ASN A 86 21.919 -13.217 21.293 1.00 4.31 N ATOM 0 H ASN A 86 23.477 -13.730 23.382 1.00 72.42 H new ATOM 0 HA ASN A 86 24.849 -11.258 22.894 1.00 43.42 H new ATOM 0 HB2 ASN A 86 21.891 -11.829 23.419 1.00 53.32 H new ATOM 0 HB3 ASN A 86 22.547 -10.399 22.647 1.00 53.32 H new ATOM 0 HD21 ASN A 86 21.918 -13.719 20.405 1.00 4.31 H new ATOM 0 HD22 ASN A 86 21.320 -13.530 22.057 1.00 4.31 H new ATOM 1391 N THR A 87 24.875 -11.588 25.716 1.00 54.54 N ATOM 1392 CA THR A 87 24.981 -11.104 27.076 1.00 5.51 C ATOM 1393 C THR A 87 26.313 -11.565 27.655 1.00 42.40 C ATOM 1394 O THR A 87 26.373 -12.486 28.480 1.00 24.33 O ATOM 1395 CB THR A 87 23.781 -11.593 27.916 1.00 0.04 C ATOM 1396 OG1 THR A 87 22.559 -11.227 27.256 1.00 73.02 O ATOM 1397 CG2 THR A 87 23.817 -10.942 29.302 1.00 13.21 C ATOM 0 H THR A 87 25.514 -12.353 25.499 1.00 54.54 H new ATOM 0 HA THR A 87 24.954 -10.014 27.094 1.00 5.51 H new ATOM 0 HB THR A 87 23.836 -12.676 28.023 1.00 0.04 H new ATOM 0 HG1 THR A 87 22.700 -10.408 26.737 1.00 73.02 H new ATOM 0 HG21 THR A 87 22.968 -11.291 29.890 1.00 13.21 H new ATOM 0 HG22 THR A 87 24.744 -11.213 29.807 1.00 13.21 H new ATOM 0 HG23 THR A 87 23.765 -9.858 29.196 1.00 13.21 H new ATOM 1405 N SER A 88 27.379 -11.037 27.078 1.00 41.20 N ATOM 1406 CA SER A 88 28.733 -11.459 27.386 1.00 14.24 C ATOM 1407 C SER A 88 29.190 -10.959 28.742 1.00 53.12 C ATOM 1408 O SER A 88 28.788 -9.883 29.179 1.00 13.03 O ATOM 1409 CB SER A 88 29.683 -10.939 26.312 1.00 12.31 C ATOM 1410 OG SER A 88 29.113 -11.169 25.027 1.00 52.20 O ATOM 0 H SER A 88 27.328 -10.298 26.377 1.00 41.20 H new ATOM 0 HA SER A 88 28.743 -12.549 27.411 1.00 14.24 H new ATOM 0 HB2 SER A 88 29.865 -9.874 26.456 1.00 12.31 H new ATOM 0 HB3 SER A 88 30.648 -11.441 26.390 1.00 12.31 H new ATOM 0 HG SER A 88 29.721 -10.834 24.335 1.00 52.20 H new ATOM 1416 N LEU A 89 30.145 -11.669 29.322 1.00 11.45 N ATOM 1417 CA LEU A 89 30.790 -11.231 30.546 1.00 2.42 C ATOM 1418 C LEU A 89 31.543 -9.938 30.281 1.00 41.41 C ATOM 1419 O LEU A 89 31.814 -9.167 31.204 1.00 23.42 O ATOM 1420 CB LEU A 89 31.760 -12.301 31.074 1.00 31.31 C ATOM 1421 CG LEU A 89 30.984 -13.565 31.481 1.00 52.24 C ATOM 1422 CD1 LEU A 89 31.967 -14.656 31.928 1.00 72.30 C ATOM 1423 CD2 LEU A 89 30.032 -13.240 32.637 1.00 73.01 C ATOM 0 H LEU A 89 30.491 -12.557 28.960 1.00 11.45 H new ATOM 0 HA LEU A 89 30.024 -11.066 31.304 1.00 2.42 H new ATOM 0 HB2 LEU A 89 32.494 -12.547 30.307 1.00 31.31 H new ATOM 0 HB3 LEU A 89 32.311 -11.912 31.930 1.00 31.31 H new ATOM 0 HG LEU A 89 30.410 -13.919 30.625 1.00 52.24 H new ATOM 0 HD11 LEU A 89 31.413 -15.550 32.215 1.00 72.30 H new ATOM 0 HD12 LEU A 89 32.642 -14.896 31.107 1.00 72.30 H new ATOM 0 HD13 LEU A 89 32.545 -14.298 32.780 1.00 72.30 H new ATOM 0 HD21 LEU A 89 29.485 -14.139 32.921 1.00 73.01 H new ATOM 0 HD22 LEU A 89 30.606 -12.879 33.491 1.00 73.01 H new ATOM 0 HD23 LEU A 89 29.327 -12.470 32.322 1.00 73.01 H new ATOM 1435 N ASN A 90 32.028 -9.808 29.044 1.00 22.24 N ATOM 1436 CA ASN A 90 32.858 -8.681 28.615 1.00 13.40 C ATOM 1437 C ASN A 90 32.346 -7.372 29.194 1.00 13.42 C ATOM 1438 O ASN A 90 33.132 -6.638 29.733 1.00 53.14 O ATOM 1439 CB ASN A 90 32.883 -8.571 27.076 1.00 14.11 C ATOM 1440 CG ASN A 90 33.090 -9.940 26.420 1.00 13.14 C ATOM 1441 OD1 ASN A 90 32.954 -10.975 27.078 1.00 72.21 O ATOM 1442 ND2 ASN A 90 33.410 -10.012 25.167 1.00 54.13 N ATOM 1443 OXT ASN A 90 31.176 -7.117 29.068 1.00 13.42 O ATOM 0 H ASN A 90 31.854 -10.489 28.305 1.00 22.24 H new ATOM 0 HA ASN A 90 33.867 -8.866 28.983 1.00 13.40 H new ATOM 0 HB2 ASN A 90 31.947 -8.136 26.726 1.00 14.11 H new ATOM 0 HB3 ASN A 90 33.682 -7.895 26.771 1.00 14.11 H new ATOM 0 HD21 ASN A 90 33.549 -10.922 24.728 1.00 54.13 H new ATOM 0 HD22 ASN A 90 33.523 -9.159 24.620 1.00 54.13 H new TER 1450 ASN A 90