USER MOD reduce.3.24.130724 H: found=0, std=0, add=1094, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1093 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 99 HIS : no HE2:sc= 0.0782 K(o=0.078,f=-1.6) USER MOD Set 1.2: A 114 SER OG : rot 180:sc= 0 USER MOD Set 1.3: A 115 TYR OH : rot 150:sc= 0 USER MOD Set 2.1: A 24 GLN : amide:sc= -0.768 K(o=-0.53,f=-2.4!) USER MOD Set 2.2: A 64 TYR OH : rot 30:sc= 0.627 USER MOD Set 2.3: A 81 ASN : amide:sc= -0.492 X(o=-0.53,f=-0.37) USER MOD Set 2.4: A 84 HIS : no HD1:sc= 0.1 K(o=-0.53,f=-5.4) USER MOD Set 3.1: A 28 ASN : amide:sc= 0.18 K(o=1.3,f=-0.98) USER MOD Set 3.2: A 67 LYS NZ :NH3+ 180:sc= 1.12 (180deg=0.57) USER MOD Single : A 1 MET CE :methyl -163:sc= -0.0961 (180deg=-0.519) USER MOD Single : A 1 MET N :NH3+ -127:sc= 0.0454 (180deg=-0.0754) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0.434 X(o=0.43,f=0) USER MOD Single : A 22 TYR OH : rot -105:sc= -0.109 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 174:sc= -0.0492 (180deg=-0.0549) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.0623 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -55:sc= 0.476 USER MOD Single : A 61 SER OG : rot -88:sc= 1.18 USER MOD Single : A 70 HIS : no HD1:sc= -0.322 X(o=-0.32,f=-0.4) USER MOD Single : A 71 ASN : amide:sc= -0.052 X(o=-0.052,f=-0.054) USER MOD Single : A 72 ASN : amide:sc= -0.262 K(o=-0.26,f=-6.4!) USER MOD Single : A 74 HIS :FLIP no HE2:sc= -0.0914 F(o=-2.3!,f=-0.091) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 THR OG1 : rot 74:sc= 1.16 USER MOD Single : A 103 TYR OH : rot 98:sc= 0.942 USER MOD Single : A 104 HIS : no HD1:sc= -0.05 X(o=-0.05,f=-0.012) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 108 TYR OH : rot -155:sc= 0.692 USER MOD Single : A 113 ASN : amide:sc= 0.753 K(o=0.75,f=-0.14) USER MOD Single : A 118 SER OG : rot 170:sc= -0.911 USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 THR OG1 : rot 72:sc= 0.217 USER MOD Single : A 124 SER OG : rot 76:sc= 1.14 USER MOD Single : A 128 ASN : amide:sc= 0.0185 K(o=0.019,f=-3.6!) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 138 HIS : no HD1:sc= -0.0784 X(o=-0.078,f=0) USER MOD Single : A 139 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 140 HIS : no HD1:sc= -0.0153 X(o=-0.015,f=-0.11) USER MOD Single : A 141 HIS : no HD1:sc= -0.202 X(o=-0.2,f=-0.059) USER MOD Single : A 142 HIS : no HD1:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 143 HIS : no HD1:sc= 0 X(o=0,f=-0.24) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.796 -7.499 -4.310 1.00 62.44 N ATOM 2 CA MET A 1 12.676 -7.725 -5.778 1.00 13.02 C ATOM 3 C MET A 1 11.179 -7.789 -6.194 1.00 54.04 C ATOM 4 O MET A 1 10.326 -8.080 -5.342 1.00 22.03 O ATOM 5 CB MET A 1 13.418 -9.033 -6.178 1.00 4.40 C ATOM 6 CG MET A 1 14.924 -9.045 -5.870 1.00 2.44 C ATOM 7 SD MET A 1 15.737 -10.577 -6.393 1.00 22.35 S ATOM 8 CE MET A 1 14.835 -11.823 -5.463 1.00 11.33 C ATOM 0 H1 MET A 1 13.412 -6.680 -4.134 1.00 62.44 H new ATOM 0 H2 MET A 1 11.854 -7.316 -3.909 1.00 62.44 H new ATOM 0 H3 MET A 1 13.206 -8.343 -3.861 1.00 62.44 H new ATOM 0 HA MET A 1 13.139 -6.891 -6.304 1.00 13.02 H new ATOM 0 HB2 MET A 1 12.950 -9.871 -5.661 1.00 4.40 H new ATOM 0 HB3 MET A 1 13.279 -9.199 -7.246 1.00 4.40 H new ATOM 0 HG2 MET A 1 15.398 -8.199 -6.368 1.00 2.44 H new ATOM 0 HG3 MET A 1 15.072 -8.908 -4.799 1.00 2.44 H new ATOM 0 HE1 MET A 1 15.406 -12.751 -5.449 1.00 11.33 H new ATOM 0 HE2 MET A 1 14.683 -11.475 -4.441 1.00 11.33 H new ATOM 0 HE3 MET A 1 13.868 -11.999 -5.934 1.00 11.33 H new ATOM 20 N PRO A 2 10.829 -7.489 -7.495 1.00 70.41 N ATOM 21 CA PRO A 2 9.431 -7.616 -8.001 1.00 23.45 C ATOM 22 C PRO A 2 8.883 -9.078 -7.929 1.00 14.14 C ATOM 23 O PRO A 2 8.997 -9.847 -8.885 1.00 12.40 O ATOM 24 CB PRO A 2 9.515 -7.102 -9.475 1.00 30.52 C ATOM 25 CG PRO A 2 10.807 -6.338 -9.562 1.00 50.20 C ATOM 26 CD PRO A 2 11.743 -6.975 -8.559 1.00 24.31 C ATOM 0 HA PRO A 2 8.731 -7.045 -7.391 1.00 23.45 H new ATOM 0 HB2 PRO A 2 9.502 -7.932 -10.181 1.00 30.52 H new ATOM 0 HB3 PRO A 2 8.665 -6.464 -9.717 1.00 30.52 H new ATOM 0 HG2 PRO A 2 11.222 -6.389 -10.569 1.00 50.20 H new ATOM 0 HG3 PRO A 2 10.652 -5.283 -9.334 1.00 50.20 H new ATOM 0 HD2 PRO A 2 12.325 -7.779 -9.009 1.00 24.31 H new ATOM 0 HD3 PRO A 2 12.454 -6.252 -8.160 1.00 24.31 H new ATOM 34 N LEU A 3 8.314 -9.446 -6.764 1.00 14.32 N ATOM 35 CA LEU A 3 7.739 -10.794 -6.518 1.00 73.55 C ATOM 36 C LEU A 3 6.242 -10.772 -6.897 1.00 35.33 C ATOM 37 O LEU A 3 5.487 -9.962 -6.376 1.00 10.41 O ATOM 38 CB LEU A 3 7.940 -11.197 -5.012 1.00 13.52 C ATOM 39 CG LEU A 3 7.989 -12.736 -4.662 1.00 23.33 C ATOM 40 CD1 LEU A 3 8.234 -12.952 -3.154 1.00 2.45 C ATOM 41 CD2 LEU A 3 6.735 -13.520 -5.132 1.00 24.54 C ATOM 0 H LEU A 3 8.237 -8.820 -5.963 1.00 14.32 H new ATOM 0 HA LEU A 3 8.248 -11.538 -7.130 1.00 73.55 H new ATOM 0 HB2 LEU A 3 8.869 -10.745 -4.665 1.00 13.52 H new ATOM 0 HB3 LEU A 3 7.132 -10.748 -4.434 1.00 13.52 H new ATOM 0 HG LEU A 3 8.831 -13.144 -5.222 1.00 23.33 H new ATOM 0 HD11 LEU A 3 8.263 -14.020 -2.940 1.00 2.45 H new ATOM 0 HD12 LEU A 3 9.184 -12.499 -2.871 1.00 2.45 H new ATOM 0 HD13 LEU A 3 7.428 -12.490 -2.585 1.00 2.45 H new ATOM 0 HD21 LEU A 3 6.838 -14.570 -4.858 1.00 24.54 H new ATOM 0 HD22 LEU A 3 5.847 -13.106 -4.654 1.00 24.54 H new ATOM 0 HD23 LEU A 3 6.638 -13.436 -6.214 1.00 24.54 H new ATOM 53 N GLU A 4 5.818 -11.688 -7.782 1.00 73.22 N ATOM 54 CA GLU A 4 4.427 -11.730 -8.293 1.00 53.12 C ATOM 55 C GLU A 4 3.702 -13.033 -7.876 1.00 60.32 C ATOM 56 O GLU A 4 4.309 -14.108 -7.795 1.00 21.23 O ATOM 57 CB GLU A 4 4.383 -11.532 -9.841 1.00 33.51 C ATOM 58 CG GLU A 4 4.980 -12.655 -10.718 1.00 42.04 C ATOM 59 CD GLU A 4 6.501 -12.871 -10.548 1.00 20.11 C ATOM 60 OE1 GLU A 4 7.290 -12.152 -11.196 1.00 71.10 O ATOM 61 OE2 GLU A 4 6.916 -13.755 -9.763 1.00 15.15 O ATOM 0 H GLU A 4 6.420 -12.417 -8.165 1.00 73.22 H new ATOM 0 HA GLU A 4 3.891 -10.898 -7.835 1.00 53.12 H new ATOM 0 HB2 GLU A 4 3.342 -11.393 -10.133 1.00 33.51 H new ATOM 0 HB3 GLU A 4 4.907 -10.606 -10.077 1.00 33.51 H new ATOM 0 HG2 GLU A 4 4.467 -13.589 -10.487 1.00 42.04 H new ATOM 0 HG3 GLU A 4 4.774 -12.428 -11.764 1.00 42.04 H new ATOM 68 N TRP A 5 2.404 -12.899 -7.571 1.00 53.12 N ATOM 69 CA TRP A 5 1.514 -14.019 -7.206 1.00 32.24 C ATOM 70 C TRP A 5 0.659 -14.490 -8.411 1.00 4.33 C ATOM 71 O TRP A 5 0.292 -13.695 -9.280 1.00 73.31 O ATOM 72 CB TRP A 5 0.591 -13.602 -6.033 1.00 13.31 C ATOM 73 CG TRP A 5 -0.308 -14.718 -5.551 1.00 71.23 C ATOM 74 CD1 TRP A 5 0.086 -15.896 -4.983 1.00 24.11 C ATOM 75 CD2 TRP A 5 -1.735 -14.771 -5.629 1.00 23.11 C ATOM 76 NE1 TRP A 5 -1.007 -16.667 -4.709 1.00 33.24 N ATOM 77 CE2 TRP A 5 -2.136 -16.000 -5.086 1.00 15.41 C ATOM 78 CE3 TRP A 5 -2.711 -13.890 -6.096 1.00 10.11 C ATOM 79 CZ2 TRP A 5 -3.467 -16.382 -5.013 1.00 32.53 C ATOM 80 CZ3 TRP A 5 -4.032 -14.267 -6.024 1.00 52.10 C ATOM 81 CH2 TRP A 5 -4.400 -15.502 -5.482 1.00 51.15 C ATOM 0 H TRP A 5 1.931 -11.995 -7.570 1.00 53.12 H new ATOM 0 HA TRP A 5 2.142 -14.855 -6.897 1.00 32.24 H new ATOM 0 HB2 TRP A 5 1.206 -13.256 -5.202 1.00 13.31 H new ATOM 0 HB3 TRP A 5 -0.025 -12.759 -6.347 1.00 13.31 H new ATOM 0 HD1 TRP A 5 1.109 -16.176 -4.781 1.00 24.11 H new ATOM 0 HE1 TRP A 5 -0.983 -17.596 -4.288 1.00 33.24 H new ATOM 0 HE3 TRP A 5 -2.435 -12.930 -6.506 1.00 10.11 H new ATOM 0 HZ2 TRP A 5 -3.755 -17.338 -4.601 1.00 32.53 H new ATOM 0 HZ3 TRP A 5 -4.797 -13.599 -6.392 1.00 52.10 H new ATOM 0 HH2 TRP A 5 -5.446 -15.766 -5.433 1.00 51.15 H new ATOM 92 N ARG A 6 0.354 -15.797 -8.449 1.00 13.21 N ATOM 93 CA ARG A 6 -0.500 -16.405 -9.493 1.00 2.23 C ATOM 94 C ARG A 6 -1.556 -17.366 -8.892 1.00 41.12 C ATOM 95 O ARG A 6 -1.428 -17.819 -7.752 1.00 3.03 O ATOM 96 CB ARG A 6 0.394 -17.146 -10.512 1.00 63.25 C ATOM 97 CG ARG A 6 1.233 -18.309 -9.929 1.00 14.34 C ATOM 98 CD ARG A 6 2.262 -18.838 -10.942 1.00 40.31 C ATOM 99 NE ARG A 6 3.073 -19.949 -10.407 1.00 21.20 N ATOM 100 CZ ARG A 6 4.342 -20.174 -10.698 1.00 53.54 C ATOM 101 NH1 ARG A 6 5.024 -19.343 -11.425 1.00 25.54 N ATOM 102 NH2 ARG A 6 4.931 -21.212 -10.216 1.00 44.30 N ATOM 0 H ARG A 6 0.691 -16.467 -7.757 1.00 13.21 H new ATOM 0 HA ARG A 6 -1.049 -15.608 -9.995 1.00 2.23 H new ATOM 0 HB2 ARG A 6 -0.239 -17.539 -11.308 1.00 63.25 H new ATOM 0 HB3 ARG A 6 1.071 -16.425 -10.970 1.00 63.25 H new ATOM 0 HG2 ARG A 6 1.749 -17.970 -9.031 1.00 14.34 H new ATOM 0 HG3 ARG A 6 0.570 -19.120 -9.628 1.00 14.34 H new ATOM 0 HD2 ARG A 6 1.742 -19.173 -11.839 1.00 40.31 H new ATOM 0 HD3 ARG A 6 2.922 -18.024 -11.241 1.00 40.31 H new ATOM 0 HE ARG A 6 2.618 -20.594 -9.761 1.00 21.20 H new ATOM 0 HH11 ARG A 6 4.581 -18.497 -11.784 1.00 25.54 H new ATOM 0 HH12 ARG A 6 6.003 -19.536 -11.638 1.00 25.54 H new ATOM 0 HH21 ARG A 6 4.418 -21.855 -9.613 1.00 44.30 H new ATOM 0 HH22 ARG A 6 5.911 -21.391 -10.437 1.00 44.30 H new ATOM 116 N ALA A 7 -2.601 -17.669 -9.686 1.00 3.12 N ATOM 117 CA ALA A 7 -3.621 -18.682 -9.336 1.00 53.44 C ATOM 118 C ALA A 7 -3.007 -20.106 -9.327 1.00 64.23 C ATOM 119 O ALA A 7 -2.204 -20.447 -10.203 1.00 53.13 O ATOM 120 CB ALA A 7 -4.804 -18.607 -10.316 1.00 51.10 C ATOM 0 H ALA A 7 -2.764 -17.220 -10.587 1.00 3.12 H new ATOM 0 HA ALA A 7 -3.987 -18.468 -8.332 1.00 53.44 H new ATOM 0 HB1 ALA A 7 -5.547 -19.358 -10.047 1.00 51.10 H new ATOM 0 HB2 ALA A 7 -5.255 -17.616 -10.267 1.00 51.10 H new ATOM 0 HB3 ALA A 7 -4.449 -18.794 -11.330 1.00 51.10 H new ATOM 126 N GLY A 8 -3.391 -20.923 -8.328 1.00 1.11 N ATOM 127 CA GLY A 8 -2.810 -22.267 -8.144 1.00 43.13 C ATOM 128 C GLY A 8 -1.567 -22.294 -7.239 1.00 51.32 C ATOM 129 O GLY A 8 -1.013 -23.370 -6.985 1.00 63.20 O ATOM 0 H GLY A 8 -4.100 -20.677 -7.637 1.00 1.11 H new ATOM 0 HA2 GLY A 8 -3.569 -22.925 -7.720 1.00 43.13 H new ATOM 0 HA3 GLY A 8 -2.545 -22.673 -9.120 1.00 43.13 H new ATOM 133 N ALA A 9 -1.128 -21.108 -6.769 1.00 34.32 N ATOM 134 CA ALA A 9 0.054 -20.963 -5.880 1.00 32.53 C ATOM 135 C ALA A 9 -0.183 -21.579 -4.476 1.00 31.53 C ATOM 136 O ALA A 9 -1.323 -21.658 -4.001 1.00 25.01 O ATOM 137 CB ALA A 9 0.436 -19.481 -5.748 1.00 25.41 C ATOM 0 H ALA A 9 -1.580 -20.221 -6.992 1.00 34.32 H new ATOM 0 HA ALA A 9 0.874 -21.514 -6.340 1.00 32.53 H new ATOM 0 HB1 ALA A 9 1.303 -19.386 -5.095 1.00 25.41 H new ATOM 0 HB2 ALA A 9 0.677 -19.078 -6.732 1.00 25.41 H new ATOM 0 HB3 ALA A 9 -0.401 -18.926 -5.324 1.00 25.41 H new ATOM 143 N SER A 10 0.919 -21.986 -3.824 1.00 21.24 N ATOM 144 CA SER A 10 0.893 -22.650 -2.495 1.00 10.33 C ATOM 145 C SER A 10 0.800 -21.614 -1.352 1.00 2.24 C ATOM 146 O SER A 10 1.262 -20.476 -1.496 1.00 23.34 O ATOM 147 CB SER A 10 2.157 -23.524 -2.311 1.00 62.24 C ATOM 148 OG SER A 10 2.189 -24.148 -1.032 1.00 43.43 O ATOM 0 H SER A 10 1.860 -21.867 -4.199 1.00 21.24 H new ATOM 0 HA SER A 10 0.006 -23.283 -2.454 1.00 10.33 H new ATOM 0 HB2 SER A 10 2.187 -24.288 -3.088 1.00 62.24 H new ATOM 0 HB3 SER A 10 3.047 -22.907 -2.436 1.00 62.24 H new ATOM 0 HG SER A 10 3.000 -24.692 -0.954 1.00 43.43 H new ATOM 154 N SER A 11 0.220 -22.049 -0.212 1.00 72.34 N ATOM 155 CA SER A 11 -0.015 -21.194 0.986 1.00 55.43 C ATOM 156 C SER A 11 1.288 -20.533 1.494 1.00 70.22 C ATOM 157 O SER A 11 1.307 -19.340 1.799 1.00 44.21 O ATOM 158 CB SER A 11 -0.648 -22.034 2.125 1.00 23.31 C ATOM 159 OG SER A 11 0.220 -23.083 2.543 1.00 20.31 O ATOM 0 H SER A 11 -0.103 -23.009 -0.090 1.00 72.34 H new ATOM 0 HA SER A 11 -0.698 -20.399 0.687 1.00 55.43 H new ATOM 0 HB2 SER A 11 -0.874 -21.388 2.973 1.00 23.31 H new ATOM 0 HB3 SER A 11 -1.594 -22.456 1.785 1.00 23.31 H new ATOM 0 HG SER A 11 -0.206 -23.593 3.263 1.00 20.31 H new ATOM 165 N ASP A 12 2.373 -21.337 1.547 1.00 63.31 N ATOM 166 CA ASP A 12 3.712 -20.895 2.008 1.00 64.14 C ATOM 167 C ASP A 12 4.246 -19.722 1.145 1.00 43.52 C ATOM 168 O ASP A 12 4.777 -18.735 1.676 1.00 34.32 O ATOM 169 CB ASP A 12 4.691 -22.099 1.970 1.00 30.45 C ATOM 170 CG ASP A 12 6.100 -21.757 2.486 1.00 72.41 C ATOM 171 OD1 ASP A 12 6.315 -21.791 3.715 1.00 72.12 O ATOM 172 OD2 ASP A 12 6.986 -21.417 1.667 1.00 3.44 O ATOM 0 H ASP A 12 2.346 -22.318 1.270 1.00 63.31 H new ATOM 0 HA ASP A 12 3.629 -20.531 3.032 1.00 64.14 H new ATOM 0 HB2 ASP A 12 4.280 -22.911 2.569 1.00 30.45 H new ATOM 0 HB3 ASP A 12 4.766 -22.465 0.946 1.00 30.45 H new ATOM 177 N GLU A 13 4.085 -19.844 -0.187 1.00 51.23 N ATOM 178 CA GLU A 13 4.474 -18.794 -1.155 1.00 34.21 C ATOM 179 C GLU A 13 3.700 -17.484 -0.892 1.00 24.24 C ATOM 180 O GLU A 13 4.282 -16.401 -0.885 1.00 50.21 O ATOM 181 CB GLU A 13 4.228 -19.271 -2.612 1.00 23.11 C ATOM 182 CG GLU A 13 4.944 -20.581 -2.974 1.00 65.54 C ATOM 183 CD GLU A 13 4.813 -20.932 -4.463 1.00 22.33 C ATOM 184 OE1 GLU A 13 3.766 -21.485 -4.862 1.00 45.02 O ATOM 185 OE2 GLU A 13 5.757 -20.650 -5.242 1.00 11.12 O ATOM 0 H GLU A 13 3.682 -20.672 -0.625 1.00 51.23 H new ATOM 0 HA GLU A 13 5.538 -18.600 -1.023 1.00 34.21 H new ATOM 0 HB2 GLU A 13 3.157 -19.401 -2.764 1.00 23.11 H new ATOM 0 HB3 GLU A 13 4.554 -18.490 -3.298 1.00 23.11 H new ATOM 0 HG2 GLU A 13 6.000 -20.498 -2.715 1.00 65.54 H new ATOM 0 HG3 GLU A 13 4.532 -21.393 -2.375 1.00 65.54 H new ATOM 192 N ILE A 14 2.385 -17.620 -0.632 1.00 52.23 N ATOM 193 CA ILE A 14 1.499 -16.471 -0.347 1.00 11.34 C ATOM 194 C ILE A 14 1.890 -15.773 0.982 1.00 13.41 C ATOM 195 O ILE A 14 1.838 -14.555 1.064 1.00 71.25 O ATOM 196 CB ILE A 14 -0.023 -16.888 -0.313 1.00 24.34 C ATOM 197 CG1 ILE A 14 -0.406 -17.662 -1.616 1.00 64.12 C ATOM 198 CG2 ILE A 14 -0.934 -15.647 -0.119 1.00 24.35 C ATOM 199 CD1 ILE A 14 -1.858 -18.119 -1.712 1.00 42.42 C ATOM 0 H ILE A 14 1.908 -18.522 -0.613 1.00 52.23 H new ATOM 0 HA ILE A 14 1.634 -15.765 -1.166 1.00 11.34 H new ATOM 0 HB ILE A 14 -0.177 -17.551 0.538 1.00 24.34 H new ATOM 0 HG12 ILE A 14 -0.188 -17.024 -2.473 1.00 64.12 H new ATOM 0 HG13 ILE A 14 0.237 -18.538 -1.699 1.00 64.12 H new ATOM 0 HG21 ILE A 14 -1.978 -15.961 -0.099 1.00 24.35 H new ATOM 0 HG22 ILE A 14 -0.685 -15.156 0.822 1.00 24.35 H new ATOM 0 HG23 ILE A 14 -0.781 -14.951 -0.943 1.00 24.35 H new ATOM 0 HD11 ILE A 14 -2.013 -18.644 -2.654 1.00 42.42 H new ATOM 0 HD12 ILE A 14 -2.084 -18.788 -0.882 1.00 42.42 H new ATOM 0 HD13 ILE A 14 -2.516 -17.251 -1.668 1.00 42.42 H new ATOM 211 N ASN A 15 2.303 -16.554 2.007 1.00 71.43 N ATOM 212 CA ASN A 15 2.792 -15.996 3.302 1.00 53.33 C ATOM 213 C ASN A 15 4.116 -15.214 3.130 1.00 74.54 C ATOM 214 O ASN A 15 4.339 -14.209 3.816 1.00 40.44 O ATOM 215 CB ASN A 15 2.961 -17.102 4.381 1.00 74.21 C ATOM 216 CG ASN A 15 1.627 -17.574 4.955 1.00 50.23 C ATOM 217 OD1 ASN A 15 1.059 -16.933 5.834 1.00 31.53 O ATOM 218 ND2 ASN A 15 1.135 -18.709 4.509 1.00 22.21 N ATOM 0 H ASN A 15 2.310 -17.573 1.968 1.00 71.43 H new ATOM 0 HA ASN A 15 2.027 -15.299 3.644 1.00 53.33 H new ATOM 0 HB2 ASN A 15 3.485 -17.952 3.945 1.00 74.21 H new ATOM 0 HB3 ASN A 15 3.586 -16.723 5.190 1.00 74.21 H new ATOM 0 HD21 ASN A 15 0.264 -19.074 4.894 1.00 22.21 H new ATOM 0 HD22 ASN A 15 1.625 -19.225 3.778 1.00 22.21 H new ATOM 225 N ALA A 16 4.982 -15.686 2.213 1.00 22.10 N ATOM 226 CA ALA A 16 6.234 -14.978 1.849 1.00 63.45 C ATOM 227 C ALA A 16 5.930 -13.619 1.163 1.00 74.41 C ATOM 228 O ALA A 16 6.659 -12.645 1.349 1.00 32.21 O ATOM 229 CB ALA A 16 7.104 -15.863 0.939 1.00 71.14 C ATOM 0 H ALA A 16 4.840 -16.559 1.706 1.00 22.10 H new ATOM 0 HA ALA A 16 6.786 -14.772 2.766 1.00 63.45 H new ATOM 0 HB1 ALA A 16 8.019 -15.330 0.680 1.00 71.14 H new ATOM 0 HB2 ALA A 16 7.357 -16.785 1.462 1.00 71.14 H new ATOM 0 HB3 ALA A 16 6.553 -16.101 0.029 1.00 71.14 H new ATOM 235 N ILE A 17 4.838 -13.591 0.372 1.00 54.15 N ATOM 236 CA ILE A 17 4.335 -12.374 -0.317 1.00 15.01 C ATOM 237 C ILE A 17 3.679 -11.387 0.686 1.00 1.35 C ATOM 238 O ILE A 17 3.903 -10.179 0.602 1.00 21.53 O ATOM 239 CB ILE A 17 3.318 -12.782 -1.452 1.00 35.23 C ATOM 240 CG1 ILE A 17 4.048 -13.665 -2.519 1.00 62.45 C ATOM 241 CG2 ILE A 17 2.640 -11.549 -2.110 1.00 61.30 C ATOM 242 CD1 ILE A 17 3.147 -14.311 -3.556 1.00 74.03 C ATOM 0 H ILE A 17 4.271 -14.419 0.189 1.00 54.15 H new ATOM 0 HA ILE A 17 5.182 -11.860 -0.771 1.00 15.01 H new ATOM 0 HB ILE A 17 2.517 -13.362 -0.994 1.00 35.23 H new ATOM 0 HG12 ILE A 17 4.783 -13.048 -3.035 1.00 62.45 H new ATOM 0 HG13 ILE A 17 4.598 -14.450 -2.001 1.00 62.45 H new ATOM 0 HG21 ILE A 17 1.950 -11.883 -2.884 1.00 61.30 H new ATOM 0 HG22 ILE A 17 2.092 -10.988 -1.353 1.00 61.30 H new ATOM 0 HG23 ILE A 17 3.402 -10.909 -2.555 1.00 61.30 H new ATOM 0 HD11 ILE A 17 3.751 -14.900 -4.247 1.00 74.03 H new ATOM 0 HD12 ILE A 17 2.427 -14.961 -3.058 1.00 74.03 H new ATOM 0 HD13 ILE A 17 2.615 -13.537 -4.109 1.00 74.03 H new ATOM 254 N ILE A 18 2.889 -11.928 1.640 1.00 24.14 N ATOM 255 CA ILE A 18 2.281 -11.148 2.753 1.00 63.44 C ATOM 256 C ILE A 18 3.371 -10.379 3.524 1.00 24.33 C ATOM 257 O ILE A 18 3.284 -9.167 3.720 1.00 73.13 O ATOM 258 CB ILE A 18 1.509 -12.098 3.758 1.00 30.24 C ATOM 259 CG1 ILE A 18 0.237 -12.715 3.091 1.00 32.25 C ATOM 260 CG2 ILE A 18 1.151 -11.384 5.094 1.00 63.25 C ATOM 261 CD1 ILE A 18 -0.474 -13.765 3.934 1.00 34.12 C ATOM 0 H ILE A 18 2.652 -12.920 1.664 1.00 24.14 H new ATOM 0 HA ILE A 18 1.573 -10.444 2.316 1.00 63.44 H new ATOM 0 HB ILE A 18 2.191 -12.911 4.007 1.00 30.24 H new ATOM 0 HG12 ILE A 18 -0.465 -11.912 2.866 1.00 32.25 H new ATOM 0 HG13 ILE A 18 0.523 -13.164 2.140 1.00 32.25 H new ATOM 0 HG21 ILE A 18 0.623 -12.078 5.748 1.00 63.25 H new ATOM 0 HG22 ILE A 18 2.065 -11.049 5.584 1.00 63.25 H new ATOM 0 HG23 ILE A 18 0.514 -10.524 4.888 1.00 63.25 H new ATOM 0 HD11 ILE A 18 -1.344 -14.138 3.393 1.00 34.12 H new ATOM 0 HD12 ILE A 18 0.208 -14.591 4.138 1.00 34.12 H new ATOM 0 HD13 ILE A 18 -0.796 -13.319 4.875 1.00 34.12 H new ATOM 273 N ARG A 19 4.400 -11.127 3.934 1.00 72.23 N ATOM 274 CA ARG A 19 5.537 -10.596 4.686 1.00 52.23 C ATOM 275 C ARG A 19 6.401 -9.657 3.801 1.00 64.33 C ATOM 276 O ARG A 19 6.972 -8.700 4.308 1.00 21.02 O ATOM 277 CB ARG A 19 6.339 -11.801 5.285 1.00 62.34 C ATOM 278 CG ARG A 19 7.558 -11.459 6.192 1.00 55.11 C ATOM 279 CD ARG A 19 8.848 -11.183 5.396 1.00 20.01 C ATOM 280 NE ARG A 19 9.245 -12.371 4.607 1.00 65.34 N ATOM 281 CZ ARG A 19 9.563 -12.389 3.327 1.00 63.51 C ATOM 282 NH1 ARG A 19 9.637 -11.303 2.626 1.00 63.41 N ATOM 283 NH2 ARG A 19 9.802 -13.516 2.755 1.00 1.21 N ATOM 0 H ARG A 19 4.466 -12.128 3.750 1.00 72.23 H new ATOM 0 HA ARG A 19 5.194 -9.974 5.513 1.00 52.23 H new ATOM 0 HB2 ARG A 19 5.648 -12.414 5.864 1.00 62.34 H new ATOM 0 HB3 ARG A 19 6.694 -12.416 4.458 1.00 62.34 H new ATOM 0 HG2 ARG A 19 7.318 -10.585 6.797 1.00 55.11 H new ATOM 0 HG3 ARG A 19 7.733 -12.285 6.881 1.00 55.11 H new ATOM 0 HD2 ARG A 19 8.695 -10.334 4.730 1.00 20.01 H new ATOM 0 HD3 ARG A 19 9.651 -10.911 6.080 1.00 20.01 H new ATOM 0 HE ARG A 19 9.276 -13.263 5.101 1.00 65.34 H new ATOM 0 HH11 ARG A 19 9.447 -10.401 3.062 1.00 63.41 H new ATOM 0 HH12 ARG A 19 9.886 -11.350 1.638 1.00 63.41 H new ATOM 0 HH21 ARG A 19 9.745 -14.382 3.291 1.00 1.21 H new ATOM 0 HH22 ARG A 19 10.049 -13.544 1.766 1.00 1.21 H new ATOM 297 N ALA A 20 6.478 -9.933 2.482 1.00 73.15 N ATOM 298 CA ALA A 20 7.197 -9.056 1.516 1.00 33.15 C ATOM 299 C ALA A 20 6.532 -7.660 1.413 1.00 73.20 C ATOM 300 O ALA A 20 7.223 -6.643 1.281 1.00 53.41 O ATOM 301 CB ALA A 20 7.280 -9.723 0.132 1.00 34.34 C ATOM 0 H ALA A 20 6.053 -10.756 2.055 1.00 73.15 H new ATOM 0 HA ALA A 20 8.210 -8.913 1.891 1.00 33.15 H new ATOM 0 HB1 ALA A 20 7.809 -9.065 -0.558 1.00 34.34 H new ATOM 0 HB2 ALA A 20 7.816 -10.668 0.215 1.00 34.34 H new ATOM 0 HB3 ALA A 20 6.274 -9.909 -0.243 1.00 34.34 H new ATOM 307 N VAL A 21 5.183 -7.638 1.496 1.00 62.33 N ATOM 308 CA VAL A 21 4.394 -6.392 1.529 1.00 63.03 C ATOM 309 C VAL A 21 4.605 -5.667 2.879 1.00 74.12 C ATOM 310 O VAL A 21 5.035 -4.522 2.910 1.00 21.20 O ATOM 311 CB VAL A 21 2.855 -6.684 1.315 1.00 62.21 C ATOM 312 CG1 VAL A 21 1.994 -5.405 1.493 1.00 23.41 C ATOM 313 CG2 VAL A 21 2.598 -7.337 -0.069 1.00 51.13 C ATOM 0 H VAL A 21 4.614 -8.483 1.542 1.00 62.33 H new ATOM 0 HA VAL A 21 4.738 -5.754 0.715 1.00 63.03 H new ATOM 0 HB VAL A 21 2.551 -7.391 2.087 1.00 62.21 H new ATOM 0 HG11 VAL A 21 0.943 -5.649 1.338 1.00 23.41 H new ATOM 0 HG12 VAL A 21 2.130 -5.012 2.501 1.00 23.41 H new ATOM 0 HG13 VAL A 21 2.303 -4.654 0.766 1.00 23.41 H new ATOM 0 HG21 VAL A 21 1.531 -7.527 -0.189 1.00 51.13 H new ATOM 0 HG22 VAL A 21 2.938 -6.665 -0.857 1.00 51.13 H new ATOM 0 HG23 VAL A 21 3.144 -8.278 -0.134 1.00 51.13 H new ATOM 323 N TYR A 22 4.367 -6.395 3.983 1.00 24.51 N ATOM 324 CA TYR A 22 4.419 -5.848 5.360 1.00 44.31 C ATOM 325 C TYR A 22 5.810 -5.265 5.726 1.00 25.01 C ATOM 326 O TYR A 22 5.904 -4.142 6.215 1.00 51.53 O ATOM 327 CB TYR A 22 3.984 -6.942 6.389 1.00 20.44 C ATOM 328 CG TYR A 22 2.486 -6.927 6.737 1.00 14.45 C ATOM 329 CD1 TYR A 22 1.996 -6.110 7.764 1.00 2.20 C ATOM 330 CD2 TYR A 22 1.568 -7.704 6.039 1.00 5.03 C ATOM 331 CE1 TYR A 22 0.655 -6.073 8.081 1.00 13.42 C ATOM 332 CE2 TYR A 22 0.221 -7.666 6.350 1.00 42.04 C ATOM 333 CZ TYR A 22 -0.229 -6.853 7.369 1.00 13.14 C ATOM 334 OH TYR A 22 -1.569 -6.821 7.677 1.00 14.31 O ATOM 0 H TYR A 22 4.131 -7.387 3.951 1.00 24.51 H new ATOM 0 HA TYR A 22 3.718 -5.015 5.402 1.00 44.31 H new ATOM 0 HB2 TYR A 22 4.242 -7.923 5.989 1.00 20.44 H new ATOM 0 HB3 TYR A 22 4.559 -6.810 7.306 1.00 20.44 H new ATOM 0 HD1 TYR A 22 2.686 -5.494 8.321 1.00 2.20 H new ATOM 0 HD2 TYR A 22 1.912 -8.347 5.242 1.00 5.03 H new ATOM 0 HE1 TYR A 22 0.301 -5.438 8.880 1.00 13.42 H new ATOM 0 HE2 TYR A 22 -0.479 -8.273 5.795 1.00 42.04 H new ATOM 0 HH TYR A 22 -1.813 -7.638 8.160 1.00 14.31 H new ATOM 344 N ARG A 23 6.874 -6.026 5.453 1.00 0.11 N ATOM 345 CA ARG A 23 8.262 -5.651 5.818 1.00 44.23 C ATOM 346 C ARG A 23 8.736 -4.390 5.047 1.00 55.50 C ATOM 347 O ARG A 23 9.490 -3.567 5.580 1.00 64.44 O ATOM 348 CB ARG A 23 9.214 -6.855 5.577 1.00 31.13 C ATOM 349 CG ARG A 23 10.585 -6.737 6.275 1.00 2.15 C ATOM 350 CD ARG A 23 11.485 -7.969 6.078 1.00 45.31 C ATOM 351 NE ARG A 23 12.656 -7.919 6.972 1.00 10.03 N ATOM 352 CZ ARG A 23 13.746 -8.638 6.860 1.00 51.31 C ATOM 353 NH1 ARG A 23 13.939 -9.430 5.848 1.00 13.31 N ATOM 354 NH2 ARG A 23 14.651 -8.546 7.774 1.00 41.04 N ATOM 0 H ARG A 23 6.807 -6.923 4.972 1.00 0.11 H new ATOM 0 HA ARG A 23 8.283 -5.397 6.878 1.00 44.23 H new ATOM 0 HB2 ARG A 23 8.722 -7.765 5.921 1.00 31.13 H new ATOM 0 HB3 ARG A 23 9.375 -6.966 4.505 1.00 31.13 H new ATOM 0 HG2 ARG A 23 11.102 -5.856 5.895 1.00 2.15 H new ATOM 0 HG3 ARG A 23 10.428 -6.579 7.342 1.00 2.15 H new ATOM 0 HD2 ARG A 23 10.913 -8.876 6.273 1.00 45.31 H new ATOM 0 HD3 ARG A 23 11.817 -8.019 5.041 1.00 45.31 H new ATOM 0 HE ARG A 23 12.614 -7.263 7.752 1.00 10.03 H new ATOM 0 HH11 ARG A 23 13.233 -9.503 5.116 1.00 13.31 H new ATOM 0 HH12 ARG A 23 14.797 -9.978 5.786 1.00 13.31 H new ATOM 0 HH21 ARG A 23 14.512 -7.921 8.568 1.00 41.04 H new ATOM 0 HH22 ARG A 23 15.506 -9.098 7.703 1.00 41.04 H new ATOM 368 N GLN A 24 8.262 -4.246 3.793 1.00 44.32 N ATOM 369 CA GLN A 24 8.560 -3.068 2.945 1.00 70.31 C ATOM 370 C GLN A 24 7.722 -1.838 3.399 1.00 50.44 C ATOM 371 O GLN A 24 8.264 -0.746 3.588 1.00 42.21 O ATOM 372 CB GLN A 24 8.284 -3.431 1.443 1.00 32.03 C ATOM 373 CG GLN A 24 8.982 -2.549 0.369 1.00 2.25 C ATOM 374 CD GLN A 24 8.398 -1.143 0.174 1.00 22.35 C ATOM 375 OE1 GLN A 24 8.836 -0.172 0.780 1.00 72.25 O ATOM 376 NE2 GLN A 24 7.374 -1.041 -0.645 1.00 71.42 N ATOM 0 H GLN A 24 7.665 -4.937 3.339 1.00 44.32 H new ATOM 0 HA GLN A 24 9.611 -2.797 3.051 1.00 70.31 H new ATOM 0 HB2 GLN A 24 8.587 -4.466 1.282 1.00 32.03 H new ATOM 0 HB3 GLN A 24 7.208 -3.384 1.274 1.00 32.03 H new ATOM 0 HG2 GLN A 24 10.034 -2.451 0.635 1.00 2.25 H new ATOM 0 HG3 GLN A 24 8.943 -3.073 -0.586 1.00 2.25 H new ATOM 0 HE21 GLN A 24 7.030 -1.866 -1.137 1.00 71.42 H new ATOM 0 HE22 GLN A 24 6.924 -0.137 -0.789 1.00 71.42 H new ATOM 385 N VAL A 25 6.412 -2.059 3.645 1.00 31.41 N ATOM 386 CA VAL A 25 5.439 -0.968 3.888 1.00 12.03 C ATOM 387 C VAL A 25 5.607 -0.336 5.293 1.00 51.44 C ATOM 388 O VAL A 25 5.586 0.883 5.417 1.00 5.23 O ATOM 389 CB VAL A 25 3.944 -1.443 3.640 1.00 13.03 C ATOM 390 CG1 VAL A 25 2.894 -0.396 4.115 1.00 55.41 C ATOM 391 CG2 VAL A 25 3.723 -1.786 2.138 1.00 1.53 C ATOM 0 H VAL A 25 6.000 -2.991 3.681 1.00 31.41 H new ATOM 0 HA VAL A 25 5.658 -0.188 3.159 1.00 12.03 H new ATOM 0 HB VAL A 25 3.795 -2.340 4.241 1.00 13.03 H new ATOM 0 HG11 VAL A 25 1.890 -0.774 3.921 1.00 55.41 H new ATOM 0 HG12 VAL A 25 3.015 -0.219 5.184 1.00 55.41 H new ATOM 0 HG13 VAL A 25 3.041 0.538 3.573 1.00 55.41 H new ATOM 0 HG21 VAL A 25 2.693 -2.110 1.986 1.00 1.53 H new ATOM 0 HG22 VAL A 25 3.919 -0.903 1.530 1.00 1.53 H new ATOM 0 HG23 VAL A 25 4.402 -2.586 1.844 1.00 1.53 H new ATOM 401 N LEU A 26 5.813 -1.142 6.346 1.00 34.32 N ATOM 402 CA LEU A 26 5.995 -0.592 7.720 1.00 3.41 C ATOM 403 C LEU A 26 7.460 -0.177 7.994 1.00 31.12 C ATOM 404 O LEU A 26 7.742 0.461 9.009 1.00 11.22 O ATOM 405 CB LEU A 26 5.477 -1.558 8.819 1.00 64.34 C ATOM 406 CG LEU A 26 3.924 -1.796 8.831 1.00 34.44 C ATOM 407 CD1 LEU A 26 3.496 -2.885 7.826 1.00 61.15 C ATOM 408 CD2 LEU A 26 3.413 -2.098 10.254 1.00 52.44 C ATOM 0 H LEU A 26 5.859 -2.159 6.287 1.00 34.32 H new ATOM 0 HA LEU A 26 5.383 0.309 7.765 1.00 3.41 H new ATOM 0 HB2 LEU A 26 5.974 -2.520 8.696 1.00 64.34 H new ATOM 0 HB3 LEU A 26 5.775 -1.167 9.792 1.00 64.34 H new ATOM 0 HG LEU A 26 3.455 -0.868 8.505 1.00 34.44 H new ATOM 0 HD11 LEU A 26 2.415 -3.015 7.869 1.00 61.15 H new ATOM 0 HD12 LEU A 26 3.785 -2.585 6.819 1.00 61.15 H new ATOM 0 HD13 LEU A 26 3.985 -3.826 8.079 1.00 61.15 H new ATOM 0 HD21 LEU A 26 2.335 -2.258 10.227 1.00 52.44 H new ATOM 0 HD22 LEU A 26 3.903 -2.994 10.634 1.00 52.44 H new ATOM 0 HD23 LEU A 26 3.639 -1.256 10.908 1.00 52.44 H new ATOM 420 N GLY A 27 8.389 -0.548 7.098 1.00 64.13 N ATOM 421 CA GLY A 27 9.785 -0.050 7.148 1.00 13.04 C ATOM 422 C GLY A 27 10.693 -0.790 8.151 1.00 75.34 C ATOM 423 O GLY A 27 11.798 -1.219 7.802 1.00 23.02 O ATOM 0 H GLY A 27 8.204 -1.191 6.328 1.00 64.13 H new ATOM 0 HA2 GLY A 27 10.222 -0.132 6.153 1.00 13.04 H new ATOM 0 HA3 GLY A 27 9.770 1.009 7.404 1.00 13.04 H new ATOM 427 N ASN A 28 10.243 -0.897 9.416 1.00 41.13 N ATOM 428 CA ASN A 28 10.933 -1.683 10.466 1.00 22.14 C ATOM 429 C ASN A 28 10.182 -3.006 10.666 1.00 44.43 C ATOM 430 O ASN A 28 9.475 -3.203 11.666 1.00 43.21 O ATOM 431 CB ASN A 28 11.013 -0.879 11.793 1.00 74.40 C ATOM 432 CG ASN A 28 11.678 0.492 11.655 1.00 44.40 C ATOM 433 OD1 ASN A 28 11.336 1.425 12.372 1.00 52.21 O ATOM 434 ND2 ASN A 28 12.628 0.637 10.747 1.00 32.54 N ATOM 0 H ASN A 28 9.391 -0.442 9.742 1.00 41.13 H new ATOM 0 HA ASN A 28 11.956 -1.893 10.154 1.00 22.14 H new ATOM 0 HB2 ASN A 28 10.005 -0.744 12.184 1.00 74.40 H new ATOM 0 HB3 ASN A 28 11.564 -1.466 12.528 1.00 74.40 H new ATOM 0 HD21 ASN A 28 13.091 1.539 10.633 1.00 32.54 H new ATOM 0 HD22 ASN A 28 12.898 -0.153 10.160 1.00 32.54 H new ATOM 441 N ASP A 29 10.336 -3.887 9.667 1.00 45.14 N ATOM 442 CA ASP A 29 9.551 -5.124 9.533 1.00 52.13 C ATOM 443 C ASP A 29 8.031 -4.800 9.526 1.00 3.20 C ATOM 444 O ASP A 29 7.536 -4.213 8.567 1.00 31.12 O ATOM 445 CB ASP A 29 9.940 -6.193 10.600 1.00 24.14 C ATOM 446 CG ASP A 29 11.443 -6.478 10.618 1.00 73.43 C ATOM 447 OD1 ASP A 29 11.923 -7.261 9.772 1.00 45.34 O ATOM 448 OD2 ASP A 29 12.161 -5.904 11.462 1.00 74.21 O ATOM 0 H ASP A 29 11.018 -3.759 8.919 1.00 45.14 H new ATOM 0 HA ASP A 29 9.794 -5.578 8.572 1.00 52.13 H new ATOM 0 HB2 ASP A 29 9.626 -5.850 11.586 1.00 24.14 H new ATOM 0 HB3 ASP A 29 9.400 -7.118 10.398 1.00 24.14 H new ATOM 453 N TYR A 30 7.332 -5.097 10.640 1.00 43.20 N ATOM 454 CA TYR A 30 5.865 -4.983 10.751 1.00 10.54 C ATOM 455 C TYR A 30 5.413 -5.271 12.198 1.00 62.43 C ATOM 456 O TYR A 30 6.241 -5.341 13.115 1.00 4.14 O ATOM 457 CB TYR A 30 5.156 -5.937 9.743 1.00 13.11 C ATOM 458 CG TYR A 30 5.652 -7.396 9.786 1.00 61.23 C ATOM 459 CD1 TYR A 30 5.220 -8.289 10.766 1.00 65.31 C ATOM 460 CD2 TYR A 30 6.578 -7.868 8.849 1.00 33.10 C ATOM 461 CE1 TYR A 30 5.686 -9.579 10.810 1.00 24.33 C ATOM 462 CE2 TYR A 30 7.039 -9.160 8.891 1.00 50.32 C ATOM 463 CZ TYR A 30 6.592 -10.015 9.873 1.00 13.32 C ATOM 464 OH TYR A 30 7.052 -11.314 9.923 1.00 11.24 O ATOM 0 H TYR A 30 7.776 -5.426 11.497 1.00 43.20 H new ATOM 0 HA TYR A 30 5.578 -3.962 10.500 1.00 10.54 H new ATOM 0 HB2 TYR A 30 4.085 -5.925 9.943 1.00 13.11 H new ATOM 0 HB3 TYR A 30 5.296 -5.548 8.734 1.00 13.11 H new ATOM 0 HD1 TYR A 30 4.505 -7.959 11.505 1.00 65.31 H new ATOM 0 HD2 TYR A 30 6.937 -7.203 8.078 1.00 33.10 H new ATOM 0 HE1 TYR A 30 5.341 -10.252 11.581 1.00 24.33 H new ATOM 0 HE2 TYR A 30 7.751 -9.505 8.156 1.00 50.32 H new ATOM 0 HH TYR A 30 7.686 -11.465 9.191 1.00 11.24 H new ATOM 474 N VAL A 31 4.094 -5.440 12.389 1.00 34.43 N ATOM 475 CA VAL A 31 3.493 -5.714 13.708 1.00 3.33 C ATOM 476 C VAL A 31 3.306 -7.252 13.946 1.00 20.35 C ATOM 477 O VAL A 31 4.181 -7.878 14.555 1.00 71.30 O ATOM 478 CB VAL A 31 2.153 -4.897 13.849 1.00 61.43 C ATOM 479 CG1 VAL A 31 1.429 -5.189 15.179 1.00 22.00 C ATOM 480 CG2 VAL A 31 2.444 -3.377 13.696 1.00 61.32 C ATOM 0 H VAL A 31 3.412 -5.391 11.632 1.00 34.43 H new ATOM 0 HA VAL A 31 4.170 -5.380 14.494 1.00 3.33 H new ATOM 0 HB VAL A 31 1.482 -5.216 13.052 1.00 61.43 H new ATOM 0 HG11 VAL A 31 0.511 -4.603 15.230 1.00 22.00 H new ATOM 0 HG12 VAL A 31 1.186 -6.250 15.235 1.00 22.00 H new ATOM 0 HG13 VAL A 31 2.078 -4.921 16.013 1.00 22.00 H new ATOM 0 HG21 VAL A 31 1.514 -2.817 13.794 1.00 61.32 H new ATOM 0 HG22 VAL A 31 3.142 -3.060 14.471 1.00 61.32 H new ATOM 0 HG23 VAL A 31 2.880 -3.187 12.715 1.00 61.32 H new ATOM 490 N MET A 32 2.181 -7.849 13.447 1.00 31.23 N ATOM 491 CA MET A 32 1.819 -9.293 13.665 1.00 1.33 C ATOM 492 C MET A 32 1.547 -9.609 15.184 1.00 61.54 C ATOM 493 O MET A 32 1.698 -8.722 16.038 1.00 2.25 O ATOM 494 CB MET A 32 2.894 -10.238 13.009 1.00 22.01 C ATOM 495 CG MET A 32 2.503 -11.723 12.858 1.00 44.14 C ATOM 496 SD MET A 32 3.626 -12.665 11.789 1.00 15.45 S ATOM 497 CE MET A 32 3.141 -12.127 10.145 1.00 53.41 C ATOM 0 H MET A 32 1.497 -7.346 12.882 1.00 31.23 H new ATOM 0 HA MET A 32 0.875 -9.493 13.158 1.00 1.33 H new ATOM 0 HB2 MET A 32 3.135 -9.846 12.021 1.00 22.01 H new ATOM 0 HB3 MET A 32 3.805 -10.184 13.605 1.00 22.01 H new ATOM 0 HG2 MET A 32 2.480 -12.186 13.844 1.00 44.14 H new ATOM 0 HG3 MET A 32 1.493 -11.785 12.453 1.00 44.14 H new ATOM 0 HE1 MET A 32 3.824 -12.550 9.408 1.00 53.41 H new ATOM 0 HE2 MET A 32 2.126 -12.466 9.936 1.00 53.41 H new ATOM 0 HE3 MET A 32 3.179 -11.039 10.092 1.00 53.41 H new ATOM 507 N SER A 33 1.048 -10.842 15.484 1.00 52.33 N ATOM 508 CA SER A 33 0.723 -11.344 16.865 1.00 62.41 C ATOM 509 C SER A 33 -0.659 -10.836 17.364 1.00 21.43 C ATOM 510 O SER A 33 -1.404 -11.575 18.019 1.00 30.22 O ATOM 511 CB SER A 33 1.840 -11.052 17.914 1.00 52.31 C ATOM 512 OG SER A 33 3.081 -11.634 17.524 1.00 71.23 O ATOM 0 H SER A 33 0.854 -11.535 14.761 1.00 52.33 H new ATOM 0 HA SER A 33 0.668 -12.428 16.768 1.00 62.41 H new ATOM 0 HB2 SER A 33 1.961 -9.975 18.029 1.00 52.31 H new ATOM 0 HB3 SER A 33 1.541 -11.445 18.886 1.00 52.31 H new ATOM 0 HG SER A 33 3.763 -11.434 18.199 1.00 71.23 H new ATOM 518 N THR A 34 -0.981 -9.566 17.057 1.00 33.32 N ATOM 519 CA THR A 34 -2.337 -8.983 17.249 1.00 51.23 C ATOM 520 C THR A 34 -3.221 -9.246 15.988 1.00 33.22 C ATOM 521 O THR A 34 -2.865 -10.079 15.133 1.00 1.52 O ATOM 522 CB THR A 34 -2.221 -7.431 17.531 1.00 73.24 C ATOM 523 OG1 THR A 34 -3.495 -6.865 17.893 1.00 42.50 O ATOM 524 CG2 THR A 34 -1.650 -6.663 16.317 1.00 4.54 C ATOM 0 H THR A 34 -0.309 -8.905 16.666 1.00 33.32 H new ATOM 0 HA THR A 34 -2.811 -9.460 18.107 1.00 51.23 H new ATOM 0 HB THR A 34 -1.530 -7.324 18.367 1.00 73.24 H new ATOM 0 HG1 THR A 34 -3.390 -5.905 18.062 1.00 42.50 H new ATOM 0 HG21 THR A 34 -1.588 -5.601 16.555 1.00 4.54 H new ATOM 0 HG22 THR A 34 -0.655 -7.041 16.082 1.00 4.54 H new ATOM 0 HG23 THR A 34 -2.304 -6.804 15.457 1.00 4.54 H new ATOM 532 N GLU A 35 -4.381 -8.564 15.897 1.00 12.23 N ATOM 533 CA GLU A 35 -5.222 -8.529 14.679 1.00 32.14 C ATOM 534 C GLU A 35 -4.455 -7.863 13.507 1.00 0.14 C ATOM 535 O GLU A 35 -4.545 -6.648 13.289 1.00 21.44 O ATOM 536 CB GLU A 35 -6.560 -7.771 14.959 1.00 4.51 C ATOM 537 CG GLU A 35 -7.597 -8.519 15.831 1.00 2.41 C ATOM 538 CD GLU A 35 -7.099 -8.904 17.238 1.00 23.21 C ATOM 539 OE1 GLU A 35 -6.622 -8.015 17.980 1.00 4.14 O ATOM 540 OE2 GLU A 35 -7.161 -10.100 17.601 1.00 25.42 O ATOM 0 H GLU A 35 -4.764 -8.019 16.669 1.00 12.23 H new ATOM 0 HA GLU A 35 -5.460 -9.554 14.396 1.00 32.14 H new ATOM 0 HB2 GLU A 35 -6.323 -6.824 15.444 1.00 4.51 H new ATOM 0 HB3 GLU A 35 -7.025 -7.531 14.003 1.00 4.51 H new ATOM 0 HG2 GLU A 35 -8.484 -7.894 15.933 1.00 2.41 H new ATOM 0 HG3 GLU A 35 -7.904 -9.425 15.309 1.00 2.41 H new ATOM 547 N ARG A 36 -3.664 -8.670 12.779 1.00 13.11 N ATOM 548 CA ARG A 36 -2.828 -8.183 11.660 1.00 62.42 C ATOM 549 C ARG A 36 -3.567 -8.379 10.308 1.00 20.13 C ATOM 550 O ARG A 36 -3.026 -8.975 9.355 1.00 73.44 O ATOM 551 CB ARG A 36 -1.455 -8.913 11.664 1.00 22.33 C ATOM 552 CG ARG A 36 -0.330 -8.217 10.839 1.00 64.24 C ATOM 553 CD ARG A 36 0.655 -9.216 10.184 1.00 32.43 C ATOM 554 NE ARG A 36 0.092 -9.832 8.968 1.00 64.34 N ATOM 555 CZ ARG A 36 -0.407 -11.043 8.857 1.00 15.25 C ATOM 556 NH1 ARG A 36 -0.504 -11.846 9.872 1.00 42.11 N ATOM 557 NH2 ARG A 36 -0.839 -11.433 7.711 1.00 0.51 N ATOM 0 H ARG A 36 -3.584 -9.673 12.946 1.00 13.11 H new ATOM 0 HA ARG A 36 -2.646 -7.116 11.789 1.00 62.42 H new ATOM 0 HB2 ARG A 36 -1.118 -9.013 12.696 1.00 22.33 H new ATOM 0 HB3 ARG A 36 -1.597 -9.922 11.276 1.00 22.33 H new ATOM 0 HG2 ARG A 36 -0.785 -7.604 10.062 1.00 64.24 H new ATOM 0 HG3 ARG A 36 0.226 -7.544 11.491 1.00 64.24 H new ATOM 0 HD2 ARG A 36 1.581 -8.699 9.933 1.00 32.43 H new ATOM 0 HD3 ARG A 36 0.910 -9.997 10.901 1.00 32.43 H new ATOM 0 HE ARG A 36 0.090 -9.258 8.125 1.00 64.34 H new ATOM 0 HH11 ARG A 36 -0.188 -11.544 10.793 1.00 42.11 H new ATOM 0 HH12 ARG A 36 -0.897 -12.779 9.748 1.00 42.11 H new ATOM 0 HH21 ARG A 36 -0.791 -10.806 6.908 1.00 0.51 H new ATOM 0 HH22 ARG A 36 -1.230 -12.369 7.605 1.00 0.51 H new ATOM 571 N LEU A 37 -4.807 -7.838 10.247 1.00 0.20 N ATOM 572 CA LEU A 37 -5.675 -7.884 9.045 1.00 4.01 C ATOM 573 C LEU A 37 -5.960 -9.344 8.638 1.00 34.11 C ATOM 574 O LEU A 37 -5.768 -9.733 7.486 1.00 5.23 O ATOM 575 CB LEU A 37 -5.059 -7.069 7.865 1.00 73.05 C ATOM 576 CG LEU A 37 -4.971 -5.513 8.043 1.00 12.31 C ATOM 577 CD1 LEU A 37 -4.030 -5.085 9.192 1.00 70.34 C ATOM 578 CD2 LEU A 37 -4.543 -4.853 6.728 1.00 54.35 C ATOM 0 H LEU A 37 -5.236 -7.354 11.036 1.00 0.20 H new ATOM 0 HA LEU A 37 -6.626 -7.413 9.296 1.00 4.01 H new ATOM 0 HB2 LEU A 37 -4.053 -7.446 7.682 1.00 73.05 H new ATOM 0 HB3 LEU A 37 -5.645 -7.275 6.969 1.00 73.05 H new ATOM 0 HG LEU A 37 -5.969 -5.172 8.317 1.00 12.31 H new ATOM 0 HD11 LEU A 37 -4.013 -3.997 9.263 1.00 70.34 H new ATOM 0 HD12 LEU A 37 -4.389 -5.504 10.132 1.00 70.34 H new ATOM 0 HD13 LEU A 37 -3.023 -5.451 8.993 1.00 70.34 H new ATOM 0 HD21 LEU A 37 -4.486 -3.773 6.865 1.00 54.35 H new ATOM 0 HD22 LEU A 37 -3.566 -5.234 6.431 1.00 54.35 H new ATOM 0 HD23 LEU A 37 -5.273 -5.082 5.951 1.00 54.35 H new ATOM 590 N THR A 38 -6.428 -10.129 9.621 1.00 71.43 N ATOM 591 CA THR A 38 -6.675 -11.586 9.494 1.00 40.00 C ATOM 592 C THR A 38 -7.616 -11.928 8.317 1.00 14.40 C ATOM 593 O THR A 38 -7.411 -12.927 7.627 1.00 1.13 O ATOM 594 CB THR A 38 -7.282 -12.162 10.813 1.00 52.21 C ATOM 595 OG1 THR A 38 -8.531 -11.503 11.108 1.00 14.22 O ATOM 596 CG2 THR A 38 -6.325 -11.991 12.012 1.00 14.14 C ATOM 0 H THR A 38 -6.652 -9.767 10.548 1.00 71.43 H new ATOM 0 HA THR A 38 -5.705 -12.044 9.298 1.00 40.00 H new ATOM 0 HB THR A 38 -7.445 -13.228 10.657 1.00 52.21 H new ATOM 0 HG1 THR A 38 -8.907 -11.870 11.935 1.00 14.22 H new ATOM 0 HG21 THR A 38 -6.787 -12.405 12.908 1.00 14.14 H new ATOM 0 HG22 THR A 38 -5.391 -12.515 11.810 1.00 14.14 H new ATOM 0 HG23 THR A 38 -6.120 -10.932 12.166 1.00 14.14 H new ATOM 604 N SER A 39 -8.644 -11.081 8.109 1.00 44.20 N ATOM 605 CA SER A 39 -9.618 -11.243 6.999 1.00 64.32 C ATOM 606 C SER A 39 -8.957 -11.033 5.617 1.00 14.11 C ATOM 607 O SER A 39 -9.127 -11.859 4.722 1.00 21.04 O ATOM 608 CB SER A 39 -10.805 -10.267 7.161 1.00 41.42 C ATOM 609 OG SER A 39 -11.754 -10.412 6.109 1.00 64.02 O ATOM 0 H SER A 39 -8.826 -10.269 8.699 1.00 44.20 H new ATOM 0 HA SER A 39 -9.986 -12.268 7.048 1.00 64.32 H new ATOM 0 HB2 SER A 39 -11.294 -10.444 8.119 1.00 41.42 H new ATOM 0 HB3 SER A 39 -10.434 -9.242 7.178 1.00 41.42 H new ATOM 0 HG SER A 39 -12.491 -9.781 6.244 1.00 64.02 H new ATOM 615 N ALA A 40 -8.182 -9.937 5.470 1.00 31.13 N ATOM 616 CA ALA A 40 -7.485 -9.598 4.196 1.00 21.32 C ATOM 617 C ALA A 40 -6.419 -10.667 3.847 1.00 45.13 C ATOM 618 O ALA A 40 -6.261 -11.062 2.686 1.00 42.34 O ATOM 619 CB ALA A 40 -6.838 -8.206 4.296 1.00 55.43 C ATOM 0 H ALA A 40 -8.018 -9.264 6.219 1.00 31.13 H new ATOM 0 HA ALA A 40 -8.225 -9.584 3.395 1.00 21.32 H new ATOM 0 HB1 ALA A 40 -6.333 -7.971 3.359 1.00 55.43 H new ATOM 0 HB2 ALA A 40 -7.609 -7.460 4.489 1.00 55.43 H new ATOM 0 HB3 ALA A 40 -6.114 -8.199 5.110 1.00 55.43 H new ATOM 625 N GLU A 41 -5.690 -11.096 4.892 1.00 11.34 N ATOM 626 CA GLU A 41 -4.727 -12.216 4.847 1.00 53.14 C ATOM 627 C GLU A 41 -5.388 -13.515 4.321 1.00 33.12 C ATOM 628 O GLU A 41 -4.864 -14.167 3.416 1.00 0.22 O ATOM 629 CB GLU A 41 -4.170 -12.464 6.278 1.00 50.52 C ATOM 630 CG GLU A 41 -3.159 -13.627 6.384 1.00 20.34 C ATOM 631 CD GLU A 41 -2.974 -14.166 7.816 1.00 21.13 C ATOM 632 OE1 GLU A 41 -3.957 -14.677 8.390 1.00 51.42 O ATOM 633 OE2 GLU A 41 -1.854 -14.086 8.366 1.00 73.54 O ATOM 0 H GLU A 41 -5.754 -10.665 5.814 1.00 11.34 H new ATOM 0 HA GLU A 41 -3.921 -11.948 4.164 1.00 53.14 H new ATOM 0 HB2 GLU A 41 -3.691 -11.551 6.630 1.00 50.52 H new ATOM 0 HB3 GLU A 41 -5.005 -12.664 6.949 1.00 50.52 H new ATOM 0 HG2 GLU A 41 -3.489 -14.442 5.740 1.00 20.34 H new ATOM 0 HG3 GLU A 41 -2.194 -13.292 6.005 1.00 20.34 H new ATOM 640 N SER A 42 -6.543 -13.866 4.925 1.00 60.02 N ATOM 641 CA SER A 42 -7.335 -15.066 4.558 1.00 24.13 C ATOM 642 C SER A 42 -7.826 -15.013 3.092 1.00 30.23 C ATOM 643 O SER A 42 -7.755 -16.009 2.376 1.00 14.05 O ATOM 644 CB SER A 42 -8.549 -15.218 5.502 1.00 41.11 C ATOM 645 OG SER A 42 -9.328 -16.358 5.165 1.00 14.14 O ATOM 0 H SER A 42 -6.957 -13.325 5.684 1.00 60.02 H new ATOM 0 HA SER A 42 -6.676 -15.928 4.662 1.00 24.13 H new ATOM 0 HB2 SER A 42 -8.203 -15.304 6.532 1.00 41.11 H new ATOM 0 HB3 SER A 42 -9.169 -14.323 5.448 1.00 41.11 H new ATOM 0 HG SER A 42 -10.088 -16.429 5.780 1.00 14.14 H new ATOM 651 N LEU A 43 -8.310 -13.829 2.661 1.00 34.51 N ATOM 652 CA LEU A 43 -8.831 -13.610 1.286 1.00 13.32 C ATOM 653 C LEU A 43 -7.706 -13.686 0.223 1.00 53.24 C ATOM 654 O LEU A 43 -7.947 -14.116 -0.903 1.00 3.15 O ATOM 655 CB LEU A 43 -9.575 -12.246 1.196 1.00 51.31 C ATOM 656 CG LEU A 43 -10.872 -12.103 2.062 1.00 33.13 C ATOM 657 CD1 LEU A 43 -11.466 -10.678 1.957 1.00 1.24 C ATOM 658 CD2 LEU A 43 -11.918 -13.183 1.695 1.00 52.31 C ATOM 0 H LEU A 43 -8.353 -12.998 3.251 1.00 34.51 H new ATOM 0 HA LEU A 43 -9.537 -14.412 1.072 1.00 13.32 H new ATOM 0 HB2 LEU A 43 -8.881 -11.458 1.488 1.00 51.31 H new ATOM 0 HB3 LEU A 43 -9.839 -12.069 0.153 1.00 51.31 H new ATOM 0 HG LEU A 43 -10.591 -12.263 3.103 1.00 33.13 H new ATOM 0 HD11 LEU A 43 -12.365 -10.613 2.570 1.00 1.24 H new ATOM 0 HD12 LEU A 43 -10.733 -9.952 2.309 1.00 1.24 H new ATOM 0 HD13 LEU A 43 -11.718 -10.465 0.918 1.00 1.24 H new ATOM 0 HD21 LEU A 43 -12.806 -13.055 2.314 1.00 52.31 H new ATOM 0 HD22 LEU A 43 -12.191 -13.083 0.645 1.00 52.31 H new ATOM 0 HD23 LEU A 43 -11.495 -14.173 1.867 1.00 52.31 H new ATOM 670 N LEU A 44 -6.479 -13.262 0.587 1.00 10.11 N ATOM 671 CA LEU A 44 -5.300 -13.378 -0.306 1.00 73.13 C ATOM 672 C LEU A 44 -4.857 -14.859 -0.426 1.00 3.31 C ATOM 673 O LEU A 44 -4.595 -15.357 -1.528 1.00 45.54 O ATOM 674 CB LEU A 44 -4.127 -12.495 0.207 1.00 10.43 C ATOM 675 CG LEU A 44 -2.869 -12.431 -0.728 1.00 63.40 C ATOM 676 CD1 LEU A 44 -3.218 -11.829 -2.108 1.00 52.14 C ATOM 677 CD2 LEU A 44 -1.699 -11.672 -0.056 1.00 62.13 C ATOM 0 H LEU A 44 -6.275 -12.836 1.491 1.00 10.11 H new ATOM 0 HA LEU A 44 -5.584 -13.020 -1.296 1.00 73.13 H new ATOM 0 HB2 LEU A 44 -4.498 -11.481 0.358 1.00 10.43 H new ATOM 0 HB3 LEU A 44 -3.814 -12.868 1.182 1.00 10.43 H new ATOM 0 HG LEU A 44 -2.537 -13.456 -0.896 1.00 63.40 H new ATOM 0 HD11 LEU A 44 -2.323 -11.800 -2.729 1.00 52.14 H new ATOM 0 HD12 LEU A 44 -3.976 -12.445 -2.592 1.00 52.14 H new ATOM 0 HD13 LEU A 44 -3.602 -10.817 -1.977 1.00 52.14 H new ATOM 0 HD21 LEU A 44 -0.845 -11.648 -0.733 1.00 62.13 H new ATOM 0 HD22 LEU A 44 -2.010 -10.653 0.173 1.00 62.13 H new ATOM 0 HD23 LEU A 44 -1.417 -12.181 0.866 1.00 62.13 H new ATOM 689 N ARG A 45 -4.807 -15.558 0.729 1.00 22.33 N ATOM 690 CA ARG A 45 -4.454 -16.999 0.799 1.00 74.13 C ATOM 691 C ARG A 45 -5.552 -17.905 0.181 1.00 32.12 C ATOM 692 O ARG A 45 -5.267 -19.028 -0.250 1.00 34.22 O ATOM 693 CB ARG A 45 -4.150 -17.410 2.268 1.00 30.41 C ATOM 694 CG ARG A 45 -2.890 -16.729 2.865 1.00 11.44 C ATOM 695 CD ARG A 45 -2.521 -17.239 4.271 1.00 40.32 C ATOM 696 NE ARG A 45 -3.530 -16.882 5.295 1.00 43.31 N ATOM 697 CZ ARG A 45 -4.007 -17.698 6.217 1.00 12.24 C ATOM 698 NH1 ARG A 45 -3.753 -18.969 6.187 1.00 34.31 N ATOM 699 NH2 ARG A 45 -4.773 -17.235 7.146 1.00 74.03 N ATOM 0 H ARG A 45 -5.009 -15.143 1.639 1.00 22.33 H new ATOM 0 HA ARG A 45 -3.555 -17.145 0.200 1.00 74.13 H new ATOM 0 HB2 ARG A 45 -5.012 -17.165 2.889 1.00 30.41 H new ATOM 0 HB3 ARG A 45 -4.022 -18.492 2.313 1.00 30.41 H new ATOM 0 HG2 ARG A 45 -2.046 -16.894 2.195 1.00 11.44 H new ATOM 0 HG3 ARG A 45 -3.056 -15.653 2.910 1.00 11.44 H new ATOM 0 HD2 ARG A 45 -2.408 -18.323 4.241 1.00 40.32 H new ATOM 0 HD3 ARG A 45 -1.555 -16.826 4.560 1.00 40.32 H new ATOM 0 HE ARG A 45 -3.886 -15.926 5.287 1.00 43.31 H new ATOM 0 HH11 ARG A 45 -3.175 -19.356 5.441 1.00 34.31 H new ATOM 0 HH12 ARG A 45 -4.131 -19.582 6.909 1.00 34.31 H new ATOM 0 HH21 ARG A 45 -5.008 -16.243 7.166 1.00 74.03 H new ATOM 0 HH22 ARG A 45 -5.144 -17.861 7.860 1.00 74.03 H new ATOM 713 N GLY A 46 -6.799 -17.401 0.141 1.00 64.11 N ATOM 714 CA GLY A 46 -7.933 -18.110 -0.479 1.00 74.41 C ATOM 715 C GLY A 46 -8.126 -17.782 -1.964 1.00 14.53 C ATOM 716 O GLY A 46 -8.967 -18.395 -2.634 1.00 34.25 O ATOM 0 H GLY A 46 -7.048 -16.494 0.536 1.00 64.11 H new ATOM 0 HA2 GLY A 46 -7.782 -19.184 -0.370 1.00 74.41 H new ATOM 0 HA3 GLY A 46 -8.846 -17.860 0.061 1.00 74.41 H new ATOM 720 N GLY A 47 -7.339 -16.815 -2.485 1.00 40.12 N ATOM 721 CA GLY A 47 -7.449 -16.375 -3.885 1.00 24.52 C ATOM 722 C GLY A 47 -8.681 -15.518 -4.210 1.00 40.51 C ATOM 723 O GLY A 47 -9.044 -15.368 -5.383 1.00 53.31 O ATOM 0 H GLY A 47 -6.620 -16.326 -1.952 1.00 40.12 H new ATOM 0 HA2 GLY A 47 -6.554 -15.807 -4.141 1.00 24.52 H new ATOM 0 HA3 GLY A 47 -7.461 -17.257 -4.526 1.00 24.52 H new ATOM 727 N GLU A 48 -9.324 -14.960 -3.175 1.00 71.21 N ATOM 728 CA GLU A 48 -10.519 -14.100 -3.322 1.00 61.24 C ATOM 729 C GLU A 48 -10.156 -12.645 -3.718 1.00 53.54 C ATOM 730 O GLU A 48 -10.937 -11.974 -4.403 1.00 3.42 O ATOM 731 CB GLU A 48 -11.329 -14.114 -1.999 1.00 0.05 C ATOM 732 CG GLU A 48 -11.933 -15.487 -1.627 1.00 0.23 C ATOM 733 CD GLU A 48 -12.981 -15.971 -2.650 1.00 51.20 C ATOM 734 OE1 GLU A 48 -14.136 -15.495 -2.598 1.00 12.43 O ATOM 735 OE2 GLU A 48 -12.646 -16.807 -3.521 1.00 24.44 O ATOM 0 H GLU A 48 -9.033 -15.090 -2.206 1.00 71.21 H new ATOM 0 HA GLU A 48 -11.124 -14.505 -4.133 1.00 61.24 H new ATOM 0 HB2 GLU A 48 -10.679 -13.786 -1.187 1.00 0.05 H new ATOM 0 HB3 GLU A 48 -12.136 -13.386 -2.075 1.00 0.05 H new ATOM 0 HG2 GLU A 48 -11.133 -16.224 -1.555 1.00 0.23 H new ATOM 0 HG3 GLU A 48 -12.395 -15.422 -0.642 1.00 0.23 H new ATOM 742 N ILE A 49 -8.978 -12.157 -3.274 1.00 32.40 N ATOM 743 CA ILE A 49 -8.465 -10.802 -3.630 1.00 55.23 C ATOM 744 C ILE A 49 -7.051 -10.894 -4.248 1.00 13.54 C ATOM 745 O ILE A 49 -6.368 -11.921 -4.120 1.00 1.25 O ATOM 746 CB ILE A 49 -8.428 -9.812 -2.394 1.00 31.53 C ATOM 747 CG1 ILE A 49 -7.396 -10.277 -1.307 1.00 4.13 C ATOM 748 CG2 ILE A 49 -9.845 -9.617 -1.788 1.00 35.33 C ATOM 749 CD1 ILE A 49 -7.189 -9.305 -0.152 1.00 32.34 C ATOM 0 H ILE A 49 -8.354 -12.682 -2.662 1.00 32.40 H new ATOM 0 HA ILE A 49 -9.166 -10.398 -4.360 1.00 55.23 H new ATOM 0 HB ILE A 49 -8.090 -8.843 -2.762 1.00 31.53 H new ATOM 0 HG12 ILE A 49 -7.726 -11.233 -0.901 1.00 4.13 H new ATOM 0 HG13 ILE A 49 -6.435 -10.450 -1.792 1.00 4.13 H new ATOM 0 HG21 ILE A 49 -9.788 -8.933 -0.942 1.00 35.33 H new ATOM 0 HG22 ILE A 49 -10.511 -9.203 -2.545 1.00 35.33 H new ATOM 0 HG23 ILE A 49 -10.232 -10.579 -1.451 1.00 35.33 H new ATOM 0 HD11 ILE A 49 -6.459 -9.717 0.544 1.00 32.34 H new ATOM 0 HD12 ILE A 49 -6.825 -8.353 -0.538 1.00 32.34 H new ATOM 0 HD13 ILE A 49 -8.135 -9.148 0.366 1.00 32.34 H new ATOM 761 N SER A 50 -6.633 -9.811 -4.929 1.00 34.22 N ATOM 762 CA SER A 50 -5.256 -9.673 -5.461 1.00 51.41 C ATOM 763 C SER A 50 -4.319 -9.114 -4.376 1.00 24.24 C ATOM 764 O SER A 50 -4.770 -8.674 -3.303 1.00 0.13 O ATOM 765 CB SER A 50 -5.229 -8.741 -6.701 1.00 44.35 C ATOM 766 OG SER A 50 -5.521 -7.389 -6.363 1.00 44.52 O ATOM 0 H SER A 50 -7.232 -9.010 -5.127 1.00 34.22 H new ATOM 0 HA SER A 50 -4.912 -10.663 -5.762 1.00 51.41 H new ATOM 0 HB2 SER A 50 -4.247 -8.792 -7.171 1.00 44.35 H new ATOM 0 HB3 SER A 50 -5.953 -9.095 -7.435 1.00 44.35 H new ATOM 0 HG SER A 50 -6.379 -7.348 -5.892 1.00 44.52 H new ATOM 772 N VAL A 51 -3.008 -9.123 -4.671 1.00 33.12 N ATOM 773 CA VAL A 51 -1.989 -8.487 -3.804 1.00 24.03 C ATOM 774 C VAL A 51 -2.231 -6.961 -3.716 1.00 4.32 C ATOM 775 O VAL A 51 -1.975 -6.362 -2.692 1.00 31.31 O ATOM 776 CB VAL A 51 -0.530 -8.786 -4.314 1.00 64.03 C ATOM 777 CG1 VAL A 51 0.566 -8.100 -3.446 1.00 4.44 C ATOM 778 CG2 VAL A 51 -0.290 -10.317 -4.393 1.00 0.24 C ATOM 0 H VAL A 51 -2.623 -9.565 -5.506 1.00 33.12 H new ATOM 0 HA VAL A 51 -2.086 -8.916 -2.807 1.00 24.03 H new ATOM 0 HB VAL A 51 -0.448 -8.358 -5.313 1.00 64.03 H new ATOM 0 HG11 VAL A 51 1.551 -8.342 -3.845 1.00 4.44 H new ATOM 0 HG12 VAL A 51 0.422 -7.020 -3.465 1.00 4.44 H new ATOM 0 HG13 VAL A 51 0.493 -8.457 -2.419 1.00 4.44 H new ATOM 0 HG21 VAL A 51 0.723 -10.509 -4.747 1.00 0.24 H new ATOM 0 HG22 VAL A 51 -0.418 -10.757 -3.404 1.00 0.24 H new ATOM 0 HG23 VAL A 51 -1.006 -10.762 -5.084 1.00 0.24 H new ATOM 788 N ARG A 52 -2.785 -6.368 -4.792 1.00 60.10 N ATOM 789 CA ARG A 52 -3.110 -4.920 -4.866 1.00 50.33 C ATOM 790 C ARG A 52 -4.122 -4.503 -3.768 1.00 52.42 C ATOM 791 O ARG A 52 -3.908 -3.511 -3.057 1.00 62.02 O ATOM 792 CB ARG A 52 -3.672 -4.585 -6.271 1.00 71.31 C ATOM 793 CG ARG A 52 -3.978 -3.089 -6.501 1.00 14.42 C ATOM 794 CD ARG A 52 -4.621 -2.803 -7.859 1.00 52.12 C ATOM 795 NE ARG A 52 -3.781 -3.254 -8.980 1.00 21.02 N ATOM 796 CZ ARG A 52 -4.180 -3.351 -10.232 1.00 2.50 C ATOM 797 NH1 ARG A 52 -5.400 -3.096 -10.576 1.00 22.24 N ATOM 798 NH2 ARG A 52 -3.344 -3.728 -11.132 1.00 43.22 N ATOM 0 H ARG A 52 -3.023 -6.879 -5.642 1.00 60.10 H new ATOM 0 HA ARG A 52 -2.193 -4.357 -4.695 1.00 50.33 H new ATOM 0 HB2 ARG A 52 -2.955 -4.916 -7.023 1.00 71.31 H new ATOM 0 HB3 ARG A 52 -4.586 -5.158 -6.428 1.00 71.31 H new ATOM 0 HG2 ARG A 52 -4.641 -2.736 -5.711 1.00 14.42 H new ATOM 0 HG3 ARG A 52 -3.052 -2.519 -6.418 1.00 14.42 H new ATOM 0 HD2 ARG A 52 -5.590 -3.299 -7.911 1.00 52.12 H new ATOM 0 HD3 ARG A 52 -4.805 -1.733 -7.953 1.00 52.12 H new ATOM 0 HE ARG A 52 -2.816 -3.511 -8.772 1.00 21.02 H new ATOM 0 HH11 ARG A 52 -6.080 -2.812 -9.871 1.00 22.24 H new ATOM 0 HH12 ARG A 52 -5.682 -3.179 -11.553 1.00 22.24 H new ATOM 0 HH21 ARG A 52 -2.382 -3.949 -10.874 1.00 43.22 H new ATOM 0 HH22 ARG A 52 -3.642 -3.807 -12.104 1.00 43.22 H new ATOM 812 N ASP A 53 -5.213 -5.290 -3.634 1.00 45.54 N ATOM 813 CA ASP A 53 -6.242 -5.077 -2.585 1.00 51.03 C ATOM 814 C ASP A 53 -5.629 -5.233 -1.172 1.00 50.34 C ATOM 815 O ASP A 53 -6.002 -4.518 -0.233 1.00 2.44 O ATOM 816 CB ASP A 53 -7.409 -6.082 -2.759 1.00 63.55 C ATOM 817 CG ASP A 53 -8.069 -6.015 -4.145 1.00 42.22 C ATOM 818 OD1 ASP A 53 -8.642 -4.959 -4.486 1.00 21.11 O ATOM 819 OD2 ASP A 53 -8.017 -7.007 -4.901 1.00 23.02 O ATOM 0 H ASP A 53 -5.406 -6.085 -4.243 1.00 45.54 H new ATOM 0 HA ASP A 53 -6.624 -4.062 -2.692 1.00 51.03 H new ATOM 0 HB2 ASP A 53 -7.037 -7.093 -2.590 1.00 63.55 H new ATOM 0 HB3 ASP A 53 -8.163 -5.888 -1.996 1.00 63.55 H new ATOM 824 N PHE A 54 -4.671 -6.170 -1.057 1.00 4.32 N ATOM 825 CA PHE A 54 -3.974 -6.467 0.207 1.00 3.24 C ATOM 826 C PHE A 54 -3.022 -5.305 0.623 1.00 63.23 C ATOM 827 O PHE A 54 -3.031 -4.898 1.774 1.00 2.42 O ATOM 828 CB PHE A 54 -3.202 -7.806 0.072 1.00 24.43 C ATOM 829 CG PHE A 54 -2.586 -8.311 1.373 1.00 43.51 C ATOM 830 CD1 PHE A 54 -3.391 -8.880 2.364 1.00 51.22 C ATOM 831 CD2 PHE A 54 -1.212 -8.223 1.611 1.00 71.32 C ATOM 832 CE1 PHE A 54 -2.843 -9.339 3.542 1.00 61.24 C ATOM 833 CE2 PHE A 54 -0.670 -8.687 2.792 1.00 33.24 C ATOM 834 CZ PHE A 54 -1.489 -9.244 3.753 1.00 51.40 C ATOM 0 H PHE A 54 -4.358 -6.744 -1.840 1.00 4.32 H new ATOM 0 HA PHE A 54 -4.716 -6.565 0.999 1.00 3.24 H new ATOM 0 HB2 PHE A 54 -3.882 -8.566 -0.313 1.00 24.43 H new ATOM 0 HB3 PHE A 54 -2.410 -7.682 -0.667 1.00 24.43 H new ATOM 0 HD1 PHE A 54 -4.456 -8.961 2.204 1.00 51.22 H new ATOM 0 HD2 PHE A 54 -0.567 -7.787 0.862 1.00 71.32 H new ATOM 0 HE1 PHE A 54 -3.478 -9.774 4.300 1.00 61.24 H new ATOM 0 HE2 PHE A 54 0.394 -8.614 2.964 1.00 33.24 H new ATOM 0 HZ PHE A 54 -1.063 -9.607 4.676 1.00 51.40 H new ATOM 844 N VAL A 55 -2.232 -4.770 -0.337 1.00 2.22 N ATOM 845 CA VAL A 55 -1.288 -3.637 -0.095 1.00 31.11 C ATOM 846 C VAL A 55 -2.059 -2.361 0.323 1.00 52.31 C ATOM 847 O VAL A 55 -1.624 -1.616 1.212 1.00 44.25 O ATOM 848 CB VAL A 55 -0.397 -3.332 -1.368 1.00 21.14 C ATOM 849 CG1 VAL A 55 0.559 -2.135 -1.123 1.00 64.33 C ATOM 850 CG2 VAL A 55 0.411 -4.576 -1.809 1.00 2.31 C ATOM 0 H VAL A 55 -2.226 -5.105 -1.300 1.00 2.22 H new ATOM 0 HA VAL A 55 -0.626 -3.939 0.717 1.00 31.11 H new ATOM 0 HB VAL A 55 -1.082 -3.065 -2.173 1.00 21.14 H new ATOM 0 HG11 VAL A 55 1.154 -1.956 -2.018 1.00 64.33 H new ATOM 0 HG12 VAL A 55 -0.025 -1.244 -0.891 1.00 64.33 H new ATOM 0 HG13 VAL A 55 1.221 -2.363 -0.287 1.00 64.33 H new ATOM 0 HG21 VAL A 55 1.010 -4.329 -2.685 1.00 2.31 H new ATOM 0 HG22 VAL A 55 1.067 -4.890 -0.997 1.00 2.31 H new ATOM 0 HG23 VAL A 55 -0.275 -5.387 -2.056 1.00 2.31 H new ATOM 860 N ARG A 56 -3.220 -2.142 -0.330 1.00 4.53 N ATOM 861 CA ARG A 56 -4.164 -1.061 0.024 1.00 12.24 C ATOM 862 C ARG A 56 -4.613 -1.188 1.490 1.00 2.13 C ATOM 863 O ARG A 56 -4.589 -0.216 2.238 1.00 1.00 O ATOM 864 CB ARG A 56 -5.398 -1.102 -0.914 1.00 0.12 C ATOM 865 CG ARG A 56 -6.417 0.046 -0.704 1.00 51.41 C ATOM 866 CD ARG A 56 -7.594 -0.035 -1.692 1.00 43.13 C ATOM 867 NE ARG A 56 -8.341 -1.307 -1.567 1.00 1.43 N ATOM 868 CZ ARG A 56 -8.774 -2.050 -2.567 1.00 31.42 C ATOM 869 NH1 ARG A 56 -8.544 -1.722 -3.803 1.00 5.45 N ATOM 870 NH2 ARG A 56 -9.435 -3.127 -2.317 1.00 34.04 N ATOM 0 H ARG A 56 -3.529 -2.710 -1.118 1.00 4.53 H new ATOM 0 HA ARG A 56 -3.654 -0.106 -0.099 1.00 12.24 H new ATOM 0 HB2 ARG A 56 -5.052 -1.076 -1.947 1.00 0.12 H new ATOM 0 HB3 ARG A 56 -5.911 -2.053 -0.774 1.00 0.12 H new ATOM 0 HG2 ARG A 56 -6.798 0.009 0.317 1.00 51.41 H new ATOM 0 HG3 ARG A 56 -5.911 1.005 -0.821 1.00 51.41 H new ATOM 0 HD2 ARG A 56 -8.271 0.801 -1.517 1.00 43.13 H new ATOM 0 HD3 ARG A 56 -7.219 0.066 -2.711 1.00 43.13 H new ATOM 0 HE ARG A 56 -8.539 -1.639 -0.623 1.00 1.43 H new ATOM 0 HH11 ARG A 56 -8.019 -0.874 -4.016 1.00 5.45 H new ATOM 0 HH12 ARG A 56 -8.889 -2.312 -4.560 1.00 5.45 H new ATOM 0 HH21 ARG A 56 -9.620 -3.399 -1.352 1.00 34.04 H new ATOM 0 HH22 ARG A 56 -9.774 -3.707 -3.084 1.00 34.04 H new ATOM 884 N ALA A 57 -4.981 -2.423 1.879 1.00 43.41 N ATOM 885 CA ALA A 57 -5.417 -2.752 3.249 1.00 23.33 C ATOM 886 C ALA A 57 -4.304 -2.483 4.297 1.00 31.30 C ATOM 887 O ALA A 57 -4.571 -1.898 5.350 1.00 33.32 O ATOM 888 CB ALA A 57 -5.885 -4.217 3.308 1.00 54.12 C ATOM 0 H ALA A 57 -4.984 -3.225 1.248 1.00 43.41 H new ATOM 0 HA ALA A 57 -6.251 -2.098 3.503 1.00 23.33 H new ATOM 0 HB1 ALA A 57 -6.206 -4.456 4.322 1.00 54.12 H new ATOM 0 HB2 ALA A 57 -6.718 -4.361 2.620 1.00 54.12 H new ATOM 0 HB3 ALA A 57 -5.063 -4.873 3.024 1.00 54.12 H new ATOM 894 N VAL A 58 -3.059 -2.915 3.991 1.00 61.23 N ATOM 895 CA VAL A 58 -1.883 -2.737 4.893 1.00 2.34 C ATOM 896 C VAL A 58 -1.553 -1.230 5.080 1.00 41.31 C ATOM 897 O VAL A 58 -1.112 -0.801 6.145 1.00 23.45 O ATOM 898 CB VAL A 58 -0.618 -3.525 4.355 1.00 5.42 C ATOM 899 CG1 VAL A 58 0.617 -3.382 5.291 1.00 13.11 C ATOM 900 CG2 VAL A 58 -0.954 -5.024 4.136 1.00 21.23 C ATOM 0 H VAL A 58 -2.835 -3.395 3.119 1.00 61.23 H new ATOM 0 HA VAL A 58 -2.146 -3.154 5.865 1.00 2.34 H new ATOM 0 HB VAL A 58 -0.353 -3.074 3.398 1.00 5.42 H new ATOM 0 HG11 VAL A 58 1.455 -3.941 4.875 1.00 13.11 H new ATOM 0 HG12 VAL A 58 0.889 -2.330 5.376 1.00 13.11 H new ATOM 0 HG13 VAL A 58 0.373 -3.775 6.278 1.00 13.11 H new ATOM 0 HG21 VAL A 58 -0.071 -5.545 3.767 1.00 21.23 H new ATOM 0 HG22 VAL A 58 -1.269 -5.468 5.080 1.00 21.23 H new ATOM 0 HG23 VAL A 58 -1.759 -5.114 3.407 1.00 21.23 H new ATOM 910 N ALA A 59 -1.797 -0.439 4.026 1.00 13.50 N ATOM 911 CA ALA A 59 -1.675 1.034 4.067 1.00 61.44 C ATOM 912 C ALA A 59 -2.852 1.710 4.827 1.00 22.31 C ATOM 913 O ALA A 59 -2.684 2.786 5.405 1.00 73.32 O ATOM 914 CB ALA A 59 -1.576 1.578 2.647 1.00 12.23 C ATOM 0 H ALA A 59 -2.086 -0.799 3.116 1.00 13.50 H new ATOM 0 HA ALA A 59 -0.767 1.274 4.620 1.00 61.44 H new ATOM 0 HB1 ALA A 59 -1.486 2.664 2.679 1.00 12.23 H new ATOM 0 HB2 ALA A 59 -0.699 1.156 2.156 1.00 12.23 H new ATOM 0 HB3 ALA A 59 -2.472 1.304 2.089 1.00 12.23 H new ATOM 920 N LEU A 60 -4.040 1.067 4.819 1.00 12.14 N ATOM 921 CA LEU A 60 -5.252 1.571 5.523 1.00 14.13 C ATOM 922 C LEU A 60 -5.283 1.150 7.004 1.00 30.51 C ATOM 923 O LEU A 60 -6.032 1.733 7.796 1.00 35.44 O ATOM 924 CB LEU A 60 -6.543 1.064 4.816 1.00 73.20 C ATOM 925 CG LEU A 60 -6.850 1.704 3.430 1.00 63.31 C ATOM 926 CD1 LEU A 60 -8.128 1.112 2.796 1.00 61.12 C ATOM 927 CD2 LEU A 60 -6.941 3.233 3.556 1.00 73.24 C ATOM 0 H LEU A 60 -4.191 0.186 4.328 1.00 12.14 H new ATOM 0 HA LEU A 60 -5.211 2.659 5.482 1.00 14.13 H new ATOM 0 HB2 LEU A 60 -6.465 -0.016 4.688 1.00 73.20 H new ATOM 0 HB3 LEU A 60 -7.392 1.246 5.476 1.00 73.20 H new ATOM 0 HG LEU A 60 -6.026 1.464 2.759 1.00 63.31 H new ATOM 0 HD11 LEU A 60 -8.308 1.585 1.830 1.00 61.12 H new ATOM 0 HD12 LEU A 60 -8.001 0.038 2.657 1.00 61.12 H new ATOM 0 HD13 LEU A 60 -8.978 1.295 3.453 1.00 61.12 H new ATOM 0 HD21 LEU A 60 -7.156 3.666 2.579 1.00 73.24 H new ATOM 0 HD22 LEU A 60 -7.738 3.494 4.252 1.00 73.24 H new ATOM 0 HD23 LEU A 60 -5.993 3.625 3.926 1.00 73.24 H new ATOM 939 N SER A 61 -4.464 0.141 7.357 1.00 61.44 N ATOM 940 CA SER A 61 -4.436 -0.454 8.715 1.00 11.04 C ATOM 941 C SER A 61 -4.124 0.589 9.803 1.00 42.23 C ATOM 942 O SER A 61 -3.339 1.518 9.583 1.00 74.23 O ATOM 943 CB SER A 61 -3.383 -1.584 8.805 1.00 35.13 C ATOM 944 OG SER A 61 -2.055 -1.085 8.831 1.00 32.34 O ATOM 0 H SER A 61 -3.801 -0.288 6.711 1.00 61.44 H new ATOM 0 HA SER A 61 -5.434 -0.856 8.889 1.00 11.04 H new ATOM 0 HB2 SER A 61 -3.564 -2.175 9.703 1.00 35.13 H new ATOM 0 HB3 SER A 61 -3.500 -2.254 7.954 1.00 35.13 H new ATOM 0 HG SER A 61 -1.725 -0.986 7.914 1.00 32.34 H new ATOM 950 N GLU A 62 -4.731 0.397 10.985 1.00 32.24 N ATOM 951 CA GLU A 62 -4.459 1.222 12.179 1.00 73.14 C ATOM 952 C GLU A 62 -3.030 0.961 12.713 1.00 52.14 C ATOM 953 O GLU A 62 -2.456 1.817 13.371 1.00 74.44 O ATOM 954 CB GLU A 62 -5.518 0.948 13.282 1.00 20.53 C ATOM 955 CG GLU A 62 -5.587 -0.517 13.770 1.00 50.03 C ATOM 956 CD GLU A 62 -6.692 -0.739 14.813 1.00 13.45 C ATOM 957 OE1 GLU A 62 -7.847 -1.014 14.420 1.00 14.31 O ATOM 958 OE2 GLU A 62 -6.422 -0.624 16.028 1.00 11.51 O ATOM 0 H GLU A 62 -5.425 -0.334 11.143 1.00 32.24 H new ATOM 0 HA GLU A 62 -4.526 2.272 11.893 1.00 73.14 H new ATOM 0 HB2 GLU A 62 -5.306 1.590 14.137 1.00 20.53 H new ATOM 0 HB3 GLU A 62 -6.499 1.236 12.903 1.00 20.53 H new ATOM 0 HG2 GLU A 62 -5.760 -1.173 12.917 1.00 50.03 H new ATOM 0 HG3 GLU A 62 -4.625 -0.799 14.199 1.00 50.03 H new ATOM 965 N LEU A 63 -2.487 -0.244 12.419 1.00 53.12 N ATOM 966 CA LEU A 63 -1.130 -0.674 12.840 1.00 42.41 C ATOM 967 C LEU A 63 -0.020 0.170 12.151 1.00 31.10 C ATOM 968 O LEU A 63 0.896 0.678 12.807 1.00 71.41 O ATOM 969 CB LEU A 63 -0.948 -2.181 12.498 1.00 41.21 C ATOM 970 CG LEU A 63 -2.011 -3.160 13.100 1.00 15.33 C ATOM 971 CD1 LEU A 63 -1.750 -4.615 12.646 1.00 61.23 C ATOM 972 CD2 LEU A 63 -2.069 -3.051 14.646 1.00 42.14 C ATOM 0 H LEU A 63 -2.982 -0.953 11.878 1.00 53.12 H new ATOM 0 HA LEU A 63 -1.035 -0.519 13.915 1.00 42.41 H new ATOM 0 HB2 LEU A 63 -0.958 -2.290 11.413 1.00 41.21 H new ATOM 0 HB3 LEU A 63 0.038 -2.493 12.841 1.00 41.21 H new ATOM 0 HG LEU A 63 -2.987 -2.864 12.716 1.00 15.33 H new ATOM 0 HD11 LEU A 63 -2.504 -5.272 13.080 1.00 61.23 H new ATOM 0 HD12 LEU A 63 -1.801 -4.672 11.559 1.00 61.23 H new ATOM 0 HD13 LEU A 63 -0.761 -4.928 12.979 1.00 61.23 H new ATOM 0 HD21 LEU A 63 -2.817 -3.744 15.032 1.00 42.14 H new ATOM 0 HD22 LEU A 63 -1.094 -3.299 15.065 1.00 42.14 H new ATOM 0 HD23 LEU A 63 -2.337 -2.033 14.929 1.00 42.14 H new ATOM 984 N TYR A 64 -0.132 0.312 10.814 1.00 45.52 N ATOM 985 CA TYR A 64 0.794 1.135 9.994 1.00 2.42 C ATOM 986 C TYR A 64 0.570 2.646 10.244 1.00 3.44 C ATOM 987 O TYR A 64 1.531 3.426 10.368 1.00 72.34 O ATOM 988 CB TYR A 64 0.601 0.781 8.490 1.00 5.14 C ATOM 989 CG TYR A 64 1.345 1.692 7.500 1.00 22.14 C ATOM 990 CD1 TYR A 64 2.737 1.740 7.471 1.00 51.21 C ATOM 991 CD2 TYR A 64 0.650 2.512 6.600 1.00 20.13 C ATOM 992 CE1 TYR A 64 3.403 2.563 6.590 1.00 75.34 C ATOM 993 CE2 TYR A 64 1.320 3.336 5.718 1.00 72.13 C ATOM 994 CZ TYR A 64 2.698 3.355 5.717 1.00 73.21 C ATOM 995 OH TYR A 64 3.377 4.174 4.844 1.00 2.44 O ATOM 0 H TYR A 64 -0.866 -0.139 10.268 1.00 45.52 H new ATOM 0 HA TYR A 64 1.820 0.911 10.284 1.00 2.42 H new ATOM 0 HB2 TYR A 64 0.929 -0.246 8.330 1.00 5.14 H new ATOM 0 HB3 TYR A 64 -0.464 0.815 8.260 1.00 5.14 H new ATOM 0 HD1 TYR A 64 3.304 1.121 8.151 1.00 51.21 H new ATOM 0 HD2 TYR A 64 -0.430 2.499 6.597 1.00 20.13 H new ATOM 0 HE1 TYR A 64 4.483 2.586 6.586 1.00 75.34 H new ATOM 0 HE2 TYR A 64 0.768 3.962 5.033 1.00 72.13 H new ATOM 0 HH TYR A 64 4.241 3.769 4.620 1.00 2.44 H new ATOM 1005 N ARG A 65 -0.714 3.033 10.320 1.00 43.41 N ATOM 1006 CA ARG A 65 -1.140 4.430 10.576 1.00 71.11 C ATOM 1007 C ARG A 65 -0.634 4.929 11.956 1.00 11.24 C ATOM 1008 O ARG A 65 -0.233 6.081 12.108 1.00 52.24 O ATOM 1009 CB ARG A 65 -2.682 4.523 10.508 1.00 14.33 C ATOM 1010 CG ARG A 65 -3.248 5.956 10.437 1.00 12.30 C ATOM 1011 CD ARG A 65 -4.783 5.998 10.560 1.00 75.43 C ATOM 1012 NE ARG A 65 -5.476 5.090 9.619 1.00 24.44 N ATOM 1013 CZ ARG A 65 -6.757 5.151 9.315 1.00 71.43 C ATOM 1014 NH1 ARG A 65 -7.505 6.119 9.746 1.00 60.14 N ATOM 1015 NH2 ARG A 65 -7.271 4.249 8.545 1.00 61.40 N ATOM 0 H ARG A 65 -1.494 2.386 10.206 1.00 43.41 H new ATOM 0 HA ARG A 65 -0.702 5.069 9.809 1.00 71.11 H new ATOM 0 HB2 ARG A 65 -3.026 3.969 9.634 1.00 14.33 H new ATOM 0 HB3 ARG A 65 -3.100 4.027 11.384 1.00 14.33 H new ATOM 0 HG2 ARG A 65 -2.808 6.556 11.234 1.00 12.30 H new ATOM 0 HG3 ARG A 65 -2.951 6.413 9.493 1.00 12.30 H new ATOM 0 HD2 ARG A 65 -5.065 5.736 11.580 1.00 75.43 H new ATOM 0 HD3 ARG A 65 -5.126 7.018 10.387 1.00 75.43 H new ATOM 0 HE ARG A 65 -4.920 4.361 9.172 1.00 24.44 H new ATOM 0 HH11 ARG A 65 -7.104 6.851 10.332 1.00 60.14 H new ATOM 0 HH12 ARG A 65 -8.494 6.148 9.499 1.00 60.14 H new ATOM 0 HH21 ARG A 65 -6.686 3.498 8.178 1.00 61.40 H new ATOM 0 HH22 ARG A 65 -8.261 4.288 8.304 1.00 61.40 H new ATOM 1029 N GLU A 66 -0.650 4.034 12.954 1.00 54.13 N ATOM 1030 CA GLU A 66 -0.119 4.316 14.304 1.00 12.20 C ATOM 1031 C GLU A 66 1.393 4.622 14.246 1.00 75.20 C ATOM 1032 O GLU A 66 1.864 5.587 14.842 1.00 74.24 O ATOM 1033 CB GLU A 66 -0.381 3.110 15.253 1.00 53.33 C ATOM 1034 CG GLU A 66 0.070 3.305 16.718 1.00 70.42 C ATOM 1035 CD GLU A 66 -0.591 4.512 17.408 1.00 35.43 C ATOM 1036 OE1 GLU A 66 -1.819 4.478 17.637 1.00 75.41 O ATOM 1037 OE2 GLU A 66 0.102 5.510 17.703 1.00 34.14 O ATOM 0 H GLU A 66 -1.030 3.093 12.853 1.00 54.13 H new ATOM 0 HA GLU A 66 -0.635 5.193 14.694 1.00 12.20 H new ATOM 0 HB2 GLU A 66 -1.449 2.890 15.246 1.00 53.33 H new ATOM 0 HB3 GLU A 66 0.127 2.235 14.848 1.00 53.33 H new ATOM 0 HG2 GLU A 66 -0.160 2.402 17.284 1.00 70.42 H new ATOM 0 HG3 GLU A 66 1.153 3.430 16.743 1.00 70.42 H new ATOM 1044 N LYS A 67 2.120 3.808 13.462 1.00 32.55 N ATOM 1045 CA LYS A 67 3.590 3.831 13.409 1.00 14.23 C ATOM 1046 C LYS A 67 4.153 5.156 12.811 1.00 34.13 C ATOM 1047 O LYS A 67 5.004 5.795 13.424 1.00 15.21 O ATOM 1048 CB LYS A 67 4.093 2.611 12.589 1.00 61.15 C ATOM 1049 CG LYS A 67 5.609 2.347 12.697 1.00 73.42 C ATOM 1050 CD LYS A 67 6.054 1.112 11.880 1.00 61.34 C ATOM 1051 CE LYS A 67 7.515 0.724 12.156 1.00 64.13 C ATOM 1052 NZ LYS A 67 8.466 1.823 11.850 1.00 15.55 N ATOM 0 H LYS A 67 1.701 3.112 12.844 1.00 32.55 H new ATOM 0 HA LYS A 67 3.958 3.774 14.433 1.00 14.23 H new ATOM 0 HB2 LYS A 67 3.558 1.721 12.921 1.00 61.15 H new ATOM 0 HB3 LYS A 67 3.838 2.764 11.540 1.00 61.15 H new ATOM 0 HG2 LYS A 67 6.153 3.225 12.348 1.00 73.42 H new ATOM 0 HG3 LYS A 67 5.876 2.202 13.744 1.00 73.42 H new ATOM 0 HD2 LYS A 67 5.406 0.269 12.118 1.00 61.34 H new ATOM 0 HD3 LYS A 67 5.930 1.319 10.817 1.00 61.34 H new ATOM 0 HE2 LYS A 67 7.620 0.439 13.203 1.00 64.13 H new ATOM 0 HE3 LYS A 67 7.773 -0.151 11.560 1.00 64.13 H new ATOM 0 HZ1 LYS A 67 9.436 1.509 12.054 1.00 15.55 H new ATOM 0 HZ2 LYS A 67 8.389 2.079 10.845 1.00 15.55 H new ATOM 0 HZ3 LYS A 67 8.240 2.651 12.437 1.00 15.55 H new ATOM 1066 N PHE A 68 3.654 5.579 11.629 1.00 62.42 N ATOM 1067 CA PHE A 68 4.212 6.764 10.901 1.00 4.15 C ATOM 1068 C PHE A 68 3.277 7.994 10.866 1.00 72.30 C ATOM 1069 O PHE A 68 3.762 9.098 10.688 1.00 22.21 O ATOM 1070 CB PHE A 68 4.611 6.378 9.457 1.00 62.54 C ATOM 1071 CG PHE A 68 5.780 5.404 9.359 1.00 45.52 C ATOM 1072 CD1 PHE A 68 7.014 5.702 9.947 1.00 74.33 C ATOM 1073 CD2 PHE A 68 5.654 4.208 8.670 1.00 65.33 C ATOM 1074 CE1 PHE A 68 8.075 4.824 9.843 1.00 43.42 C ATOM 1075 CE2 PHE A 68 6.712 3.336 8.566 1.00 10.32 C ATOM 1076 CZ PHE A 68 7.923 3.642 9.150 1.00 55.44 C ATOM 0 H PHE A 68 2.872 5.129 11.153 1.00 62.42 H new ATOM 0 HA PHE A 68 5.090 7.062 11.475 1.00 4.15 H new ATOM 0 HB2 PHE A 68 3.746 5.938 8.961 1.00 62.54 H new ATOM 0 HB3 PHE A 68 4.865 7.286 8.910 1.00 62.54 H new ATOM 0 HD1 PHE A 68 7.138 6.628 10.488 1.00 74.33 H new ATOM 0 HD2 PHE A 68 4.711 3.957 8.208 1.00 65.33 H new ATOM 0 HE1 PHE A 68 9.022 5.063 10.304 1.00 43.42 H new ATOM 0 HE2 PHE A 68 6.594 2.409 8.025 1.00 10.32 H new ATOM 0 HZ PHE A 68 8.752 2.956 9.065 1.00 55.44 H new ATOM 1086 N PHE A 69 1.953 7.835 10.988 1.00 12.32 N ATOM 1087 CA PHE A 69 1.042 9.016 10.954 1.00 31.52 C ATOM 1088 C PHE A 69 0.938 9.679 12.356 1.00 12.11 C ATOM 1089 O PHE A 69 0.812 10.901 12.463 1.00 61.13 O ATOM 1090 CB PHE A 69 -0.354 8.629 10.397 1.00 14.13 C ATOM 1091 CG PHE A 69 -1.326 9.803 10.252 1.00 12.03 C ATOM 1092 CD1 PHE A 69 -1.116 10.781 9.281 1.00 3.43 C ATOM 1093 CD2 PHE A 69 -2.436 9.941 11.093 1.00 12.00 C ATOM 1094 CE1 PHE A 69 -1.979 11.853 9.156 1.00 11.23 C ATOM 1095 CE2 PHE A 69 -3.297 11.014 10.961 1.00 35.01 C ATOM 1096 CZ PHE A 69 -3.067 11.970 9.993 1.00 13.15 C ATOM 0 H PHE A 69 1.487 6.936 11.108 1.00 12.32 H new ATOM 0 HA PHE A 69 1.469 9.754 10.275 1.00 31.52 H new ATOM 0 HB2 PHE A 69 -0.225 8.158 9.423 1.00 14.13 H new ATOM 0 HB3 PHE A 69 -0.800 7.883 11.055 1.00 14.13 H new ATOM 0 HD1 PHE A 69 -0.268 10.700 8.618 1.00 3.43 H new ATOM 0 HD2 PHE A 69 -2.622 9.199 11.855 1.00 12.00 H new ATOM 0 HE1 PHE A 69 -1.800 12.602 8.399 1.00 11.23 H new ATOM 0 HE2 PHE A 69 -4.151 11.104 11.616 1.00 35.01 H new ATOM 0 HZ PHE A 69 -3.739 12.809 9.892 1.00 13.15 H new ATOM 1106 N HIS A 70 0.996 8.861 13.429 1.00 70.40 N ATOM 1107 CA HIS A 70 0.890 9.355 14.836 1.00 63.24 C ATOM 1108 C HIS A 70 2.262 9.788 15.431 1.00 64.41 C ATOM 1109 O HIS A 70 2.299 10.582 16.375 1.00 32.02 O ATOM 1110 CB HIS A 70 0.242 8.272 15.739 1.00 35.15 C ATOM 1111 CG HIS A 70 -1.164 7.869 15.357 1.00 12.20 C ATOM 1112 ND1 HIS A 70 -1.996 7.181 16.211 1.00 14.51 N ATOM 1113 CD2 HIS A 70 -1.873 8.026 14.212 1.00 30.45 C ATOM 1114 CE1 HIS A 70 -3.142 6.938 15.614 1.00 20.33 C ATOM 1115 NE2 HIS A 70 -3.094 7.438 14.403 1.00 44.14 N ATOM 0 H HIS A 70 1.116 7.851 13.356 1.00 70.40 H new ATOM 0 HA HIS A 70 0.258 10.242 14.809 1.00 63.24 H new ATOM 0 HB2 HIS A 70 0.874 7.384 15.723 1.00 35.15 H new ATOM 0 HB3 HIS A 70 0.231 8.638 16.766 1.00 35.15 H new ATOM 0 HD2 HIS A 70 -1.536 8.523 13.314 1.00 30.45 H new ATOM 0 HE1 HIS A 70 -3.981 6.415 16.048 1.00 20.33 H new ATOM 0 HE2 HIS A 70 -3.845 7.396 13.714 1.00 44.14 H new ATOM 1124 N ASN A 71 3.380 9.255 14.887 1.00 70.14 N ATOM 1125 CA ASN A 71 4.759 9.549 15.397 1.00 31.55 C ATOM 1126 C ASN A 71 5.537 10.532 14.483 1.00 34.43 C ATOM 1127 O ASN A 71 6.691 10.868 14.774 1.00 33.41 O ATOM 1128 CB ASN A 71 5.565 8.229 15.537 1.00 73.11 C ATOM 1129 CG ASN A 71 5.001 7.285 16.596 1.00 45.44 C ATOM 1130 OD1 ASN A 71 5.413 7.298 17.747 1.00 14.05 O ATOM 1131 ND2 ASN A 71 4.051 6.461 16.218 1.00 72.31 N ATOM 0 H ASN A 71 3.364 8.616 14.092 1.00 70.14 H new ATOM 0 HA ASN A 71 4.642 10.027 16.370 1.00 31.55 H new ATOM 0 HB2 ASN A 71 5.580 7.717 14.575 1.00 73.11 H new ATOM 0 HB3 ASN A 71 6.599 8.468 15.787 1.00 73.11 H new ATOM 0 HD21 ASN A 71 3.640 5.813 16.890 1.00 72.31 H new ATOM 0 HD22 ASN A 71 3.724 6.469 15.252 1.00 72.31 H new ATOM 1138 N ASN A 72 4.904 11.001 13.396 1.00 32.10 N ATOM 1139 CA ASN A 72 5.586 11.788 12.337 1.00 65.20 C ATOM 1140 C ASN A 72 4.611 12.824 11.722 1.00 33.42 C ATOM 1141 O ASN A 72 3.386 12.656 11.798 1.00 50.42 O ATOM 1142 CB ASN A 72 6.117 10.813 11.245 1.00 62.21 C ATOM 1143 CG ASN A 72 7.264 11.326 10.386 1.00 61.21 C ATOM 1144 OD1 ASN A 72 7.486 12.520 10.234 1.00 43.11 O ATOM 1145 ND2 ASN A 72 8.003 10.403 9.799 1.00 41.43 N ATOM 0 H ASN A 72 3.911 10.851 13.220 1.00 32.10 H new ATOM 0 HA ASN A 72 6.424 12.335 12.769 1.00 65.20 H new ATOM 0 HB2 ASN A 72 6.440 9.894 11.734 1.00 62.21 H new ATOM 0 HB3 ASN A 72 5.288 10.550 10.588 1.00 62.21 H new ATOM 0 HD21 ASN A 72 8.782 10.678 9.201 1.00 41.43 H new ATOM 0 HD22 ASN A 72 7.795 9.415 9.944 1.00 41.43 H new ATOM 1152 N ALA A 73 5.175 13.894 11.131 1.00 53.23 N ATOM 1153 CA ALA A 73 4.402 14.927 10.405 1.00 13.43 C ATOM 1154 C ALA A 73 3.814 14.348 9.094 1.00 73.13 C ATOM 1155 O ALA A 73 4.509 13.606 8.392 1.00 22.33 O ATOM 1156 CB ALA A 73 5.299 16.138 10.106 1.00 24.43 C ATOM 0 H ALA A 73 6.180 14.069 11.142 1.00 53.23 H new ATOM 0 HA ALA A 73 3.572 15.251 11.034 1.00 13.43 H new ATOM 0 HB1 ALA A 73 4.724 16.894 9.572 1.00 24.43 H new ATOM 0 HB2 ALA A 73 5.668 16.557 11.042 1.00 24.43 H new ATOM 0 HB3 ALA A 73 6.143 15.823 9.492 1.00 24.43 H new ATOM 1162 N HIS A 74 2.543 14.695 8.779 1.00 12.23 N ATOM 1163 CA HIS A 74 1.792 14.120 7.623 1.00 40.51 C ATOM 1164 C HIS A 74 2.539 14.287 6.270 1.00 71.21 C ATOM 1165 O HIS A 74 2.487 13.396 5.432 1.00 2.31 O ATOM 1166 CB HIS A 74 0.373 14.737 7.527 1.00 61.12 C ATOM 1167 CG HIS A 74 -0.476 14.196 6.382 1.00 2.24 C ATOM 1168 ND1 HIS A 74 -0.747 12.908 6.024 1.00 71.24 N flip ATOM 1169 CD2 HIS A 74 -1.132 15.033 5.515 1.00 32.13 C flip ATOM 1170 CE1 HIS A 74 -1.574 12.960 4.937 1.00 70.22 C flip ATOM 1171 NE2 HIS A 74 -1.778 14.251 4.669 1.00 2.30 N flip ATOM 0 H HIS A 74 2.006 15.378 9.313 1.00 12.23 H new ATOM 0 HA HIS A 74 1.710 13.050 7.813 1.00 40.51 H new ATOM 0 HB2 HIS A 74 -0.151 14.559 8.466 1.00 61.12 H new ATOM 0 HB3 HIS A 74 0.467 15.817 7.414 1.00 61.12 H new ATOM 0 HD1 HIS A 74 -0.398 12.065 6.481 1.00 71.24 H new ATOM 0 HD2 HIS A 74 -1.122 16.113 5.523 1.00 32.13 H new ATOM 0 HE1 HIS A 74 -1.984 12.118 4.399 1.00 70.22 H new ATOM 1179 N ASN A 75 3.229 15.422 6.083 1.00 62.11 N ATOM 1180 CA ASN A 75 4.028 15.687 4.855 1.00 32.11 C ATOM 1181 C ASN A 75 5.164 14.644 4.667 1.00 32.50 C ATOM 1182 O ASN A 75 5.377 14.129 3.560 1.00 71.53 O ATOM 1183 CB ASN A 75 4.601 17.118 4.899 1.00 12.14 C ATOM 1184 CG ASN A 75 3.502 18.178 4.910 1.00 24.22 C ATOM 1185 OD1 ASN A 75 2.988 18.552 5.963 1.00 70.12 O ATOM 1186 ND2 ASN A 75 3.128 18.670 3.744 1.00 51.33 N ATOM 0 H ASN A 75 3.256 16.181 6.764 1.00 62.11 H new ATOM 0 HA ASN A 75 3.364 15.595 3.996 1.00 32.11 H new ATOM 0 HB2 ASN A 75 5.222 17.232 5.787 1.00 12.14 H new ATOM 0 HB3 ASN A 75 5.247 17.276 4.036 1.00 12.14 H new ATOM 0 HD21 ASN A 75 2.396 19.379 3.701 1.00 51.33 H new ATOM 0 HD22 ASN A 75 3.571 18.342 2.886 1.00 51.33 H new ATOM 1193 N ARG A 76 5.872 14.326 5.769 1.00 53.53 N ATOM 1194 CA ARG A 76 6.920 13.279 5.782 1.00 74.40 C ATOM 1195 C ARG A 76 6.292 11.864 5.672 1.00 61.04 C ATOM 1196 O ARG A 76 6.882 10.963 5.074 1.00 43.50 O ATOM 1197 CB ARG A 76 7.781 13.385 7.068 1.00 10.15 C ATOM 1198 CG ARG A 76 9.041 12.480 7.086 1.00 11.41 C ATOM 1199 CD ARG A 76 10.019 12.823 5.951 1.00 43.15 C ATOM 1200 NE ARG A 76 11.232 11.991 5.967 1.00 41.35 N ATOM 1201 CZ ARG A 76 12.119 11.923 4.994 1.00 71.10 C ATOM 1202 NH1 ARG A 76 11.938 12.546 3.868 1.00 20.13 N ATOM 1203 NH2 ARG A 76 13.188 11.215 5.158 1.00 35.54 N ATOM 0 H ARG A 76 5.737 14.783 6.671 1.00 53.53 H new ATOM 0 HA ARG A 76 7.563 13.437 4.916 1.00 74.40 H new ATOM 0 HB2 ARG A 76 8.094 14.421 7.194 1.00 10.15 H new ATOM 0 HB3 ARG A 76 7.158 13.133 7.927 1.00 10.15 H new ATOM 0 HG2 ARG A 76 9.548 12.586 8.045 1.00 11.41 H new ATOM 0 HG3 ARG A 76 8.738 11.437 6.999 1.00 11.41 H new ATOM 0 HD2 ARG A 76 9.513 12.700 4.993 1.00 43.15 H new ATOM 0 HD3 ARG A 76 10.304 13.872 6.029 1.00 43.15 H new ATOM 0 HE ARG A 76 11.400 11.422 6.796 1.00 41.35 H new ATOM 0 HH11 ARG A 76 11.096 13.102 3.723 1.00 20.13 H new ATOM 0 HH12 ARG A 76 12.638 12.479 3.130 1.00 20.13 H new ATOM 0 HH21 ARG A 76 13.339 10.715 6.034 1.00 35.54 H new ATOM 0 HH22 ARG A 76 13.880 11.156 4.411 1.00 35.54 H new ATOM 1217 N PHE A 77 5.082 11.695 6.255 1.00 52.55 N ATOM 1218 CA PHE A 77 4.287 10.448 6.142 1.00 42.02 C ATOM 1219 C PHE A 77 3.920 10.162 4.665 1.00 74.14 C ATOM 1220 O PHE A 77 3.899 9.016 4.257 1.00 43.33 O ATOM 1221 CB PHE A 77 3.005 10.526 7.028 1.00 72.22 C ATOM 1222 CG PHE A 77 2.014 9.361 6.851 1.00 24.23 C ATOM 1223 CD1 PHE A 77 2.326 8.084 7.309 1.00 52.32 C ATOM 1224 CD2 PHE A 77 0.782 9.541 6.209 1.00 44.25 C ATOM 1225 CE1 PHE A 77 1.448 7.027 7.142 1.00 51.33 C ATOM 1226 CE2 PHE A 77 -0.096 8.482 6.038 1.00 74.24 C ATOM 1227 CZ PHE A 77 0.238 7.226 6.506 1.00 31.24 C ATOM 0 H PHE A 77 4.630 12.417 6.816 1.00 52.55 H new ATOM 0 HA PHE A 77 4.899 9.622 6.505 1.00 42.02 H new ATOM 0 HB2 PHE A 77 3.308 10.569 8.074 1.00 72.22 H new ATOM 0 HB3 PHE A 77 2.487 11.459 6.808 1.00 72.22 H new ATOM 0 HD1 PHE A 77 3.271 7.915 7.804 1.00 52.32 H new ATOM 0 HD2 PHE A 77 0.512 10.520 5.842 1.00 44.25 H new ATOM 0 HE1 PHE A 77 1.709 6.046 7.509 1.00 51.33 H new ATOM 0 HE2 PHE A 77 -1.041 8.639 5.539 1.00 74.24 H new ATOM 0 HZ PHE A 77 -0.446 6.401 6.375 1.00 31.24 H new ATOM 1237 N ILE A 78 3.639 11.230 3.885 1.00 51.41 N ATOM 1238 CA ILE A 78 3.375 11.126 2.427 1.00 23.23 C ATOM 1239 C ILE A 78 4.635 10.611 1.678 1.00 72.31 C ATOM 1240 O ILE A 78 4.524 9.767 0.791 1.00 54.04 O ATOM 1241 CB ILE A 78 2.889 12.513 1.825 1.00 1.22 C ATOM 1242 CG1 ILE A 78 1.506 12.924 2.441 1.00 73.32 C ATOM 1243 CG2 ILE A 78 2.815 12.490 0.267 1.00 74.21 C ATOM 1244 CD1 ILE A 78 0.989 14.303 2.031 1.00 55.23 C ATOM 0 H ILE A 78 3.588 12.184 4.243 1.00 51.41 H new ATOM 0 HA ILE A 78 2.570 10.405 2.285 1.00 23.23 H new ATOM 0 HB ILE A 78 3.634 13.261 2.096 1.00 1.22 H new ATOM 0 HG12 ILE A 78 0.765 12.177 2.156 1.00 73.32 H new ATOM 0 HG13 ILE A 78 1.588 12.894 3.527 1.00 73.32 H new ATOM 0 HG21 ILE A 78 2.478 13.461 -0.096 1.00 74.21 H new ATOM 0 HG22 ILE A 78 3.802 12.273 -0.141 1.00 74.21 H new ATOM 0 HG23 ILE A 78 2.113 11.720 -0.053 1.00 74.21 H new ATOM 0 HD11 ILE A 78 0.028 14.489 2.511 1.00 55.23 H new ATOM 0 HD12 ILE A 78 1.703 15.066 2.341 1.00 55.23 H new ATOM 0 HD13 ILE A 78 0.867 14.339 0.948 1.00 55.23 H new ATOM 1256 N GLU A 79 5.831 11.101 2.086 1.00 70.02 N ATOM 1257 CA GLU A 79 7.131 10.667 1.499 1.00 40.51 C ATOM 1258 C GLU A 79 7.423 9.170 1.764 1.00 14.23 C ATOM 1259 O GLU A 79 7.850 8.433 0.863 1.00 42.44 O ATOM 1260 CB GLU A 79 8.297 11.549 2.028 1.00 14.14 C ATOM 1261 CG GLU A 79 8.175 13.042 1.673 1.00 12.21 C ATOM 1262 CD GLU A 79 9.396 13.866 2.114 1.00 31.31 C ATOM 1263 OE1 GLU A 79 10.423 13.852 1.402 1.00 4.11 O ATOM 1264 OE2 GLU A 79 9.346 14.498 3.190 1.00 63.43 O ATOM 0 H GLU A 79 5.926 11.800 2.822 1.00 70.02 H new ATOM 0 HA GLU A 79 7.052 10.797 0.420 1.00 40.51 H new ATOM 0 HB2 GLU A 79 8.350 11.449 3.112 1.00 14.14 H new ATOM 0 HB3 GLU A 79 9.236 11.168 1.627 1.00 14.14 H new ATOM 0 HG2 GLU A 79 8.045 13.144 0.596 1.00 12.21 H new ATOM 0 HG3 GLU A 79 7.280 13.450 2.143 1.00 12.21 H new ATOM 1271 N LEU A 80 7.174 8.742 3.012 1.00 52.22 N ATOM 1272 CA LEU A 80 7.355 7.339 3.442 1.00 63.24 C ATOM 1273 C LEU A 80 6.328 6.419 2.742 1.00 54.32 C ATOM 1274 O LEU A 80 6.683 5.413 2.149 1.00 14.32 O ATOM 1275 CB LEU A 80 7.216 7.246 4.987 1.00 74.10 C ATOM 1276 CG LEU A 80 8.261 8.075 5.803 1.00 52.22 C ATOM 1277 CD1 LEU A 80 7.957 8.040 7.315 1.00 25.11 C ATOM 1278 CD2 LEU A 80 9.703 7.605 5.499 1.00 63.01 C ATOM 0 H LEU A 80 6.841 9.357 3.755 1.00 52.22 H new ATOM 0 HA LEU A 80 8.352 7.004 3.157 1.00 63.24 H new ATOM 0 HB2 LEU A 80 6.216 7.578 5.266 1.00 74.10 H new ATOM 0 HB3 LEU A 80 7.298 6.199 5.280 1.00 74.10 H new ATOM 0 HG LEU A 80 8.180 9.115 5.485 1.00 52.22 H new ATOM 0 HD11 LEU A 80 8.704 8.627 7.850 1.00 25.11 H new ATOM 0 HD12 LEU A 80 6.968 8.459 7.497 1.00 25.11 H new ATOM 0 HD13 LEU A 80 7.985 7.009 7.668 1.00 25.11 H new ATOM 0 HD21 LEU A 80 10.409 8.198 6.080 1.00 63.01 H new ATOM 0 HD22 LEU A 80 9.807 6.553 5.766 1.00 63.01 H new ATOM 0 HD23 LEU A 80 9.911 7.732 4.436 1.00 63.01 H new ATOM 1290 N ASN A 81 5.061 6.829 2.779 1.00 73.41 N ATOM 1291 CA ASN A 81 3.926 6.075 2.205 1.00 2.15 C ATOM 1292 C ASN A 81 4.058 5.935 0.657 1.00 40.34 C ATOM 1293 O ASN A 81 3.607 4.958 0.074 1.00 64.45 O ATOM 1294 CB ASN A 81 2.606 6.778 2.619 1.00 22.13 C ATOM 1295 CG ASN A 81 1.341 5.994 2.288 1.00 70.03 C ATOM 1296 OD1 ASN A 81 0.943 5.095 3.015 1.00 13.13 O ATOM 1297 ND2 ASN A 81 0.678 6.357 1.219 1.00 14.14 N ATOM 0 H ASN A 81 4.780 7.708 3.214 1.00 73.41 H new ATOM 0 HA ASN A 81 3.924 5.058 2.598 1.00 2.15 H new ATOM 0 HB2 ASN A 81 2.631 6.967 3.692 1.00 22.13 H new ATOM 0 HB3 ASN A 81 2.556 7.749 2.126 1.00 22.13 H new ATOM 0 HD21 ASN A 81 -0.194 5.886 0.975 1.00 14.14 H new ATOM 0 HD22 ASN A 81 1.033 7.110 0.630 1.00 14.14 H new ATOM 1304 N PHE A 82 4.704 6.931 0.021 1.00 34.32 N ATOM 1305 CA PHE A 82 4.984 6.942 -1.441 1.00 1.11 C ATOM 1306 C PHE A 82 5.982 5.838 -1.863 1.00 1.31 C ATOM 1307 O PHE A 82 5.732 5.103 -2.824 1.00 3.25 O ATOM 1308 CB PHE A 82 5.518 8.345 -1.880 1.00 50.55 C ATOM 1309 CG PHE A 82 4.605 9.061 -2.855 1.00 25.35 C ATOM 1310 CD1 PHE A 82 3.576 9.872 -2.399 1.00 64.12 C ATOM 1311 CD2 PHE A 82 4.758 8.899 -4.226 1.00 60.10 C ATOM 1312 CE1 PHE A 82 2.730 10.496 -3.281 1.00 14.43 C ATOM 1313 CE2 PHE A 82 3.914 9.529 -5.105 1.00 53.33 C ATOM 1314 CZ PHE A 82 2.898 10.325 -4.632 1.00 12.42 C ATOM 0 H PHE A 82 5.052 7.759 0.504 1.00 34.32 H new ATOM 0 HA PHE A 82 4.041 6.734 -1.947 1.00 1.11 H new ATOM 0 HB2 PHE A 82 5.651 8.967 -0.995 1.00 50.55 H new ATOM 0 HB3 PHE A 82 6.501 8.225 -2.336 1.00 50.55 H new ATOM 0 HD1 PHE A 82 3.439 10.014 -1.337 1.00 64.12 H new ATOM 0 HD2 PHE A 82 5.550 8.270 -4.604 1.00 60.10 H new ATOM 0 HE1 PHE A 82 1.931 11.122 -2.912 1.00 14.43 H new ATOM 0 HE2 PHE A 82 4.048 9.400 -6.169 1.00 53.33 H new ATOM 0 HZ PHE A 82 2.231 10.817 -5.325 1.00 12.42 H new ATOM 1324 N LYS A 83 7.130 5.765 -1.165 1.00 73.04 N ATOM 1325 CA LYS A 83 8.162 4.730 -1.424 1.00 53.40 C ATOM 1326 C LYS A 83 7.656 3.315 -1.048 1.00 41.31 C ATOM 1327 O LYS A 83 8.157 2.306 -1.552 1.00 64.24 O ATOM 1328 CB LYS A 83 9.496 5.073 -0.705 1.00 15.31 C ATOM 1329 CG LYS A 83 9.455 5.084 0.838 1.00 31.23 C ATOM 1330 CD LYS A 83 10.776 5.587 1.475 1.00 21.44 C ATOM 1331 CE LYS A 83 11.111 7.040 1.067 1.00 2.04 C ATOM 1332 NZ LYS A 83 12.382 7.515 1.660 1.00 45.44 N ATOM 0 H LYS A 83 7.372 6.411 -0.413 1.00 73.04 H new ATOM 0 HA LYS A 83 8.361 4.724 -2.496 1.00 53.40 H new ATOM 0 HB2 LYS A 83 10.251 4.354 -1.023 1.00 15.31 H new ATOM 0 HB3 LYS A 83 9.827 6.054 -1.046 1.00 15.31 H new ATOM 0 HG2 LYS A 83 8.633 5.719 1.170 1.00 31.23 H new ATOM 0 HG3 LYS A 83 9.245 4.077 1.198 1.00 31.23 H new ATOM 0 HD2 LYS A 83 10.699 5.526 2.561 1.00 21.44 H new ATOM 0 HD3 LYS A 83 11.593 4.931 1.176 1.00 21.44 H new ATOM 0 HE2 LYS A 83 11.174 7.104 -0.019 1.00 2.04 H new ATOM 0 HE3 LYS A 83 10.300 7.698 1.379 1.00 2.04 H new ATOM 0 HZ1 LYS A 83 12.562 8.493 1.357 1.00 45.44 H new ATOM 0 HZ2 LYS A 83 12.315 7.481 2.697 1.00 45.44 H new ATOM 0 HZ3 LYS A 83 13.162 6.905 1.343 1.00 45.44 H new ATOM 1346 N HIS A 84 6.664 3.267 -0.141 1.00 32.15 N ATOM 1347 CA HIS A 84 6.016 2.012 0.290 1.00 63.12 C ATOM 1348 C HIS A 84 4.934 1.518 -0.714 1.00 4.22 C ATOM 1349 O HIS A 84 4.805 0.307 -0.921 1.00 31.34 O ATOM 1350 CB HIS A 84 5.414 2.180 1.712 1.00 21.40 C ATOM 1351 CG HIS A 84 6.440 2.501 2.777 1.00 74.21 C ATOM 1352 ND1 HIS A 84 6.138 3.188 3.936 1.00 12.34 N ATOM 1353 CD2 HIS A 84 7.767 2.228 2.851 1.00 22.42 C ATOM 1354 CE1 HIS A 84 7.232 3.321 4.668 1.00 71.30 C ATOM 1355 NE2 HIS A 84 8.229 2.748 4.034 1.00 60.22 N ATOM 0 H HIS A 84 6.287 4.098 0.315 1.00 32.15 H new ATOM 0 HA HIS A 84 6.788 1.243 0.316 1.00 63.12 H new ATOM 0 HB2 HIS A 84 4.668 2.974 1.689 1.00 21.40 H new ATOM 0 HB3 HIS A 84 4.894 1.262 1.987 1.00 21.40 H new ATOM 0 HD2 HIS A 84 8.352 1.698 2.114 1.00 22.42 H new ATOM 0 HE1 HIS A 84 7.295 3.817 5.625 1.00 71.30 H new ATOM 0 HE2 HIS A 84 9.192 2.698 4.367 1.00 60.22 H new ATOM 1364 N LEU A 85 4.152 2.439 -1.330 1.00 64.21 N ATOM 1365 CA LEU A 85 2.986 2.040 -2.181 1.00 13.43 C ATOM 1366 C LEU A 85 3.225 2.180 -3.709 1.00 32.33 C ATOM 1367 O LEU A 85 2.634 1.432 -4.474 1.00 71.11 O ATOM 1368 CB LEU A 85 1.728 2.858 -1.777 1.00 52.12 C ATOM 1369 CG LEU A 85 1.270 2.737 -0.283 1.00 23.15 C ATOM 1370 CD1 LEU A 85 -0.061 3.479 -0.050 1.00 24.31 C ATOM 1371 CD2 LEU A 85 1.174 1.265 0.167 1.00 32.30 C ATOM 0 H LEU A 85 4.297 3.446 -1.261 1.00 64.21 H new ATOM 0 HA LEU A 85 2.838 0.977 -1.993 1.00 13.43 H new ATOM 0 HB2 LEU A 85 1.920 3.909 -1.992 1.00 52.12 H new ATOM 0 HB3 LEU A 85 0.900 2.549 -2.415 1.00 52.12 H new ATOM 0 HG LEU A 85 2.033 3.214 0.332 1.00 23.15 H new ATOM 0 HD11 LEU A 85 -0.355 3.379 0.995 1.00 24.31 H new ATOM 0 HD12 LEU A 85 0.064 4.534 -0.292 1.00 24.31 H new ATOM 0 HD13 LEU A 85 -0.834 3.049 -0.688 1.00 24.31 H new ATOM 0 HD21 LEU A 85 0.854 1.223 1.208 1.00 32.30 H new ATOM 0 HD22 LEU A 85 0.450 0.740 -0.457 1.00 32.30 H new ATOM 0 HD23 LEU A 85 2.150 0.790 0.068 1.00 32.30 H new ATOM 1383 N LEU A 86 4.063 3.132 -4.163 1.00 74.23 N ATOM 1384 CA LEU A 86 4.425 3.259 -5.619 1.00 1.33 C ATOM 1385 C LEU A 86 5.943 3.152 -5.835 1.00 11.45 C ATOM 1386 O LEU A 86 6.408 3.171 -6.978 1.00 1.21 O ATOM 1387 CB LEU A 86 3.955 4.609 -6.266 1.00 43.40 C ATOM 1388 CG LEU A 86 2.465 5.034 -6.066 1.00 34.33 C ATOM 1389 CD1 LEU A 86 2.277 5.735 -4.711 1.00 21.04 C ATOM 1390 CD2 LEU A 86 1.953 5.922 -7.233 1.00 3.33 C ATOM 0 H LEU A 86 4.507 3.826 -3.562 1.00 74.23 H new ATOM 0 HA LEU A 86 3.902 2.434 -6.103 1.00 1.33 H new ATOM 0 HB2 LEU A 86 4.586 5.406 -5.873 1.00 43.40 H new ATOM 0 HB3 LEU A 86 4.145 4.551 -7.338 1.00 43.40 H new ATOM 0 HG LEU A 86 1.862 4.126 -6.069 1.00 34.33 H new ATOM 0 HD11 LEU A 86 1.232 6.023 -4.592 1.00 21.04 H new ATOM 0 HD12 LEU A 86 2.560 5.055 -3.907 1.00 21.04 H new ATOM 0 HD13 LEU A 86 2.905 6.625 -4.672 1.00 21.04 H new ATOM 0 HD21 LEU A 86 0.913 6.195 -7.054 1.00 3.33 H new ATOM 0 HD22 LEU A 86 2.559 6.826 -7.296 1.00 3.33 H new ATOM 0 HD23 LEU A 86 2.027 5.370 -8.170 1.00 3.33 H new ATOM 1402 N GLY A 87 6.710 3.101 -4.736 1.00 34.42 N ATOM 1403 CA GLY A 87 8.171 3.134 -4.810 1.00 64.24 C ATOM 1404 C GLY A 87 8.738 4.443 -5.365 1.00 14.52 C ATOM 1405 O GLY A 87 9.822 4.453 -5.953 1.00 10.04 O ATOM 0 H GLY A 87 6.339 3.037 -3.788 1.00 34.42 H new ATOM 0 HA2 GLY A 87 8.579 2.968 -3.813 1.00 64.24 H new ATOM 0 HA3 GLY A 87 8.511 2.309 -5.435 1.00 64.24 H new ATOM 1409 N ARG A 88 8.001 5.553 -5.179 1.00 14.41 N ATOM 1410 CA ARG A 88 8.404 6.880 -5.697 1.00 5.42 C ATOM 1411 C ARG A 88 8.756 7.857 -4.556 1.00 63.34 C ATOM 1412 O ARG A 88 8.373 7.662 -3.400 1.00 34.32 O ATOM 1413 CB ARG A 88 7.278 7.501 -6.572 1.00 34.15 C ATOM 1414 CG ARG A 88 6.814 6.636 -7.764 1.00 5.23 C ATOM 1415 CD ARG A 88 5.951 7.421 -8.771 1.00 13.21 C ATOM 1416 NE ARG A 88 4.742 8.039 -8.178 1.00 71.10 N ATOM 1417 CZ ARG A 88 4.049 9.026 -8.727 1.00 42.03 C ATOM 1418 NH1 ARG A 88 4.405 9.557 -9.853 1.00 44.11 N ATOM 1419 NH2 ARG A 88 2.990 9.472 -8.138 1.00 2.21 N ATOM 0 H ARG A 88 7.117 5.560 -4.671 1.00 14.41 H new ATOM 0 HA ARG A 88 9.293 6.722 -6.307 1.00 5.42 H new ATOM 0 HB2 ARG A 88 6.417 7.705 -5.936 1.00 34.15 H new ATOM 0 HB3 ARG A 88 7.626 8.461 -6.955 1.00 34.15 H new ATOM 0 HG2 ARG A 88 7.688 6.234 -8.277 1.00 5.23 H new ATOM 0 HG3 ARG A 88 6.244 5.785 -7.390 1.00 5.23 H new ATOM 0 HD2 ARG A 88 6.561 8.203 -9.224 1.00 13.21 H new ATOM 0 HD3 ARG A 88 5.646 6.749 -9.573 1.00 13.21 H new ATOM 0 HE ARG A 88 4.419 7.678 -7.280 1.00 71.10 H new ATOM 0 HH11 ARG A 88 5.235 9.216 -10.338 1.00 44.11 H new ATOM 0 HH12 ARG A 88 3.855 10.316 -10.256 1.00 44.11 H new ATOM 0 HH21 ARG A 88 2.689 9.065 -7.253 1.00 2.21 H new ATOM 0 HH22 ARG A 88 2.454 10.232 -8.558 1.00 2.21 H new ATOM 1433 N ALA A 89 9.502 8.907 -4.918 1.00 14.44 N ATOM 1434 CA ALA A 89 9.748 10.077 -4.057 1.00 21.13 C ATOM 1435 C ALA A 89 8.815 11.233 -4.501 1.00 1.03 C ATOM 1436 O ALA A 89 8.866 11.632 -5.669 1.00 10.11 O ATOM 1437 CB ALA A 89 11.230 10.494 -4.154 1.00 62.42 C ATOM 0 H ALA A 89 9.959 8.972 -5.828 1.00 14.44 H new ATOM 0 HA ALA A 89 9.534 9.830 -3.017 1.00 21.13 H new ATOM 0 HB1 ALA A 89 11.407 11.360 -3.516 1.00 62.42 H new ATOM 0 HB2 ALA A 89 11.862 9.668 -3.829 1.00 62.42 H new ATOM 0 HB3 ALA A 89 11.469 10.750 -5.186 1.00 62.42 H new ATOM 1443 N PRO A 90 7.921 11.774 -3.609 1.00 10.33 N ATOM 1444 CA PRO A 90 7.028 12.901 -3.963 1.00 32.02 C ATOM 1445 C PRO A 90 7.754 14.269 -3.849 1.00 71.11 C ATOM 1446 O PRO A 90 7.423 15.113 -3.009 1.00 25.32 O ATOM 1447 CB PRO A 90 5.872 12.750 -2.951 1.00 72.21 C ATOM 1448 CG PRO A 90 6.537 12.208 -1.718 1.00 35.43 C ATOM 1449 CD PRO A 90 7.712 11.351 -2.198 1.00 52.12 C ATOM 0 HA PRO A 90 6.684 12.877 -4.997 1.00 32.02 H new ATOM 0 HB2 PRO A 90 5.386 13.706 -2.755 1.00 72.21 H new ATOM 0 HB3 PRO A 90 5.104 12.071 -3.321 1.00 72.21 H new ATOM 0 HG2 PRO A 90 6.884 13.018 -1.077 1.00 35.43 H new ATOM 0 HG3 PRO A 90 5.838 11.613 -1.130 1.00 35.43 H new ATOM 0 HD2 PRO A 90 8.603 11.523 -1.595 1.00 52.12 H new ATOM 0 HD3 PRO A 90 7.483 10.288 -2.131 1.00 52.12 H new ATOM 1457 N TYR A 91 8.763 14.456 -4.717 1.00 10.44 N ATOM 1458 CA TYR A 91 9.518 15.730 -4.830 1.00 42.22 C ATOM 1459 C TYR A 91 8.614 16.853 -5.397 1.00 20.40 C ATOM 1460 O TYR A 91 8.900 18.046 -5.241 1.00 11.32 O ATOM 1461 CB TYR A 91 10.780 15.531 -5.722 1.00 21.53 C ATOM 1462 CG TYR A 91 10.481 15.044 -7.157 1.00 24.02 C ATOM 1463 CD1 TYR A 91 10.253 15.947 -8.201 1.00 72.23 C ATOM 1464 CD2 TYR A 91 10.411 13.681 -7.463 1.00 63.13 C ATOM 1465 CE1 TYR A 91 9.966 15.513 -9.481 1.00 12.01 C ATOM 1466 CE2 TYR A 91 10.130 13.244 -8.741 1.00 4.43 C ATOM 1467 CZ TYR A 91 9.906 14.159 -9.745 1.00 5.41 C ATOM 1468 OH TYR A 91 9.605 13.715 -11.019 1.00 75.34 O ATOM 0 H TYR A 91 9.083 13.734 -5.362 1.00 10.44 H new ATOM 0 HA TYR A 91 9.844 16.031 -3.834 1.00 42.22 H new ATOM 0 HB2 TYR A 91 11.322 16.475 -5.778 1.00 21.53 H new ATOM 0 HB3 TYR A 91 11.441 14.812 -5.238 1.00 21.53 H new ATOM 0 HD1 TYR A 91 10.302 17.007 -8.002 1.00 72.23 H new ATOM 0 HD2 TYR A 91 10.581 12.955 -6.682 1.00 63.13 H new ATOM 0 HE1 TYR A 91 9.790 16.229 -10.270 1.00 12.01 H new ATOM 0 HE2 TYR A 91 10.086 12.186 -8.954 1.00 4.43 H new ATOM 0 HH TYR A 91 9.605 12.735 -11.032 1.00 75.34 H new ATOM 1478 N ASP A 92 7.532 16.431 -6.077 1.00 3.03 N ATOM 1479 CA ASP A 92 6.512 17.327 -6.629 1.00 13.21 C ATOM 1480 C ASP A 92 5.668 17.907 -5.480 1.00 31.34 C ATOM 1481 O ASP A 92 4.937 17.168 -4.807 1.00 40.11 O ATOM 1482 CB ASP A 92 5.602 16.544 -7.608 1.00 40.21 C ATOM 1483 CG ASP A 92 6.392 15.675 -8.591 1.00 11.12 C ATOM 1484 OD1 ASP A 92 6.729 14.518 -8.241 1.00 54.44 O ATOM 1485 OD2 ASP A 92 6.701 16.147 -9.703 1.00 43.44 O ATOM 0 H ASP A 92 7.344 15.445 -6.258 1.00 3.03 H new ATOM 0 HA ASP A 92 6.996 18.141 -7.169 1.00 13.21 H new ATOM 0 HB2 ASP A 92 4.922 15.911 -7.037 1.00 40.21 H new ATOM 0 HB3 ASP A 92 4.987 17.249 -8.167 1.00 40.21 H new ATOM 1490 N GLN A 93 5.802 19.217 -5.233 1.00 71.11 N ATOM 1491 CA GLN A 93 5.013 19.906 -4.177 1.00 4.44 C ATOM 1492 C GLN A 93 3.494 19.901 -4.495 1.00 54.00 C ATOM 1493 O GLN A 93 2.667 19.864 -3.581 1.00 15.30 O ATOM 1494 CB GLN A 93 5.533 21.354 -3.959 1.00 2.20 C ATOM 1495 CG GLN A 93 4.765 22.143 -2.876 1.00 24.31 C ATOM 1496 CD GLN A 93 5.401 23.479 -2.508 1.00 22.34 C ATOM 1497 OE1 GLN A 93 5.120 24.517 -3.105 1.00 11.32 O ATOM 1498 NE2 GLN A 93 6.256 23.463 -1.506 1.00 72.33 N ATOM 0 H GLN A 93 6.443 19.827 -5.741 1.00 71.11 H new ATOM 0 HA GLN A 93 5.149 19.349 -3.250 1.00 4.44 H new ATOM 0 HB2 GLN A 93 6.587 21.313 -3.684 1.00 2.20 H new ATOM 0 HB3 GLN A 93 5.470 21.897 -4.902 1.00 2.20 H new ATOM 0 HG2 GLN A 93 3.748 22.321 -3.225 1.00 24.31 H new ATOM 0 HG3 GLN A 93 4.691 21.529 -1.979 1.00 24.31 H new ATOM 0 HE21 GLN A 93 6.468 22.586 -1.031 1.00 72.33 H new ATOM 0 HE22 GLN A 93 6.706 24.328 -1.205 1.00 72.33 H new ATOM 1507 N ALA A 94 3.145 19.904 -5.797 1.00 15.34 N ATOM 1508 CA ALA A 94 1.741 19.757 -6.254 1.00 24.13 C ATOM 1509 C ALA A 94 1.172 18.366 -5.898 1.00 32.11 C ATOM 1510 O ALA A 94 -0.013 18.239 -5.607 1.00 4.44 O ATOM 1511 CB ALA A 94 1.628 20.021 -7.759 1.00 45.23 C ATOM 0 H ALA A 94 3.817 20.007 -6.557 1.00 15.34 H new ATOM 0 HA ALA A 94 1.144 20.502 -5.728 1.00 24.13 H new ATOM 0 HB1 ALA A 94 0.590 19.907 -8.071 1.00 45.23 H new ATOM 0 HB2 ALA A 94 1.964 21.035 -7.977 1.00 45.23 H new ATOM 0 HB3 ALA A 94 2.250 19.309 -8.301 1.00 45.23 H new ATOM 1517 N GLU A 95 2.042 17.334 -5.912 1.00 11.11 N ATOM 1518 CA GLU A 95 1.664 15.942 -5.568 1.00 53.53 C ATOM 1519 C GLU A 95 1.388 15.811 -4.044 1.00 61.32 C ATOM 1520 O GLU A 95 0.385 15.224 -3.631 1.00 73.42 O ATOM 1521 CB GLU A 95 2.804 14.974 -5.985 1.00 42.51 C ATOM 1522 CG GLU A 95 2.514 13.473 -5.802 1.00 72.12 C ATOM 1523 CD GLU A 95 1.506 12.883 -6.811 1.00 2.33 C ATOM 1524 OE1 GLU A 95 0.283 12.944 -6.564 1.00 65.21 O ATOM 1525 OE2 GLU A 95 1.935 12.331 -7.848 1.00 25.33 O ATOM 0 H GLU A 95 3.025 17.439 -6.161 1.00 11.11 H new ATOM 0 HA GLU A 95 0.753 15.683 -6.107 1.00 53.53 H new ATOM 0 HB2 GLU A 95 3.041 15.153 -7.034 1.00 42.51 H new ATOM 0 HB3 GLU A 95 3.695 15.225 -5.410 1.00 42.51 H new ATOM 0 HG2 GLU A 95 3.452 12.923 -5.882 1.00 72.12 H new ATOM 0 HG3 GLU A 95 2.135 13.311 -4.793 1.00 72.12 H new ATOM 1532 N VAL A 96 2.303 16.376 -3.223 1.00 4.02 N ATOM 1533 CA VAL A 96 2.186 16.396 -1.741 1.00 3.24 C ATOM 1534 C VAL A 96 0.915 17.162 -1.291 1.00 44.51 C ATOM 1535 O VAL A 96 0.118 16.651 -0.497 1.00 62.44 O ATOM 1536 CB VAL A 96 3.475 17.045 -1.099 1.00 75.23 C ATOM 1537 CG1 VAL A 96 3.358 17.181 0.446 1.00 65.14 C ATOM 1538 CG2 VAL A 96 4.745 16.247 -1.489 1.00 43.24 C ATOM 0 H VAL A 96 3.147 16.833 -3.568 1.00 4.02 H new ATOM 0 HA VAL A 96 2.099 15.366 -1.394 1.00 3.24 H new ATOM 0 HB VAL A 96 3.561 18.054 -1.502 1.00 75.23 H new ATOM 0 HG11 VAL A 96 4.268 17.632 0.841 1.00 65.14 H new ATOM 0 HG12 VAL A 96 2.504 17.812 0.692 1.00 65.14 H new ATOM 0 HG13 VAL A 96 3.220 16.195 0.889 1.00 65.14 H new ATOM 0 HG21 VAL A 96 5.620 16.712 -1.036 1.00 43.24 H new ATOM 0 HG22 VAL A 96 4.654 15.221 -1.133 1.00 43.24 H new ATOM 0 HG23 VAL A 96 4.855 16.246 -2.573 1.00 43.24 H new ATOM 1548 N ALA A 97 0.747 18.384 -1.832 1.00 22.31 N ATOM 1549 CA ALA A 97 -0.448 19.230 -1.603 1.00 41.42 C ATOM 1550 C ALA A 97 -1.752 18.535 -2.070 1.00 21.10 C ATOM 1551 O ALA A 97 -2.797 18.679 -1.429 1.00 40.11 O ATOM 1552 CB ALA A 97 -0.280 20.589 -2.307 1.00 52.42 C ATOM 0 H ALA A 97 1.438 18.817 -2.444 1.00 22.31 H new ATOM 0 HA ALA A 97 -0.535 19.391 -0.528 1.00 41.42 H new ATOM 0 HB1 ALA A 97 -1.164 21.202 -2.131 1.00 52.42 H new ATOM 0 HB2 ALA A 97 0.599 21.098 -1.911 1.00 52.42 H new ATOM 0 HB3 ALA A 97 -0.155 20.431 -3.378 1.00 52.42 H new ATOM 1558 N ALA A 98 -1.663 17.766 -3.179 1.00 13.21 N ATOM 1559 CA ALA A 98 -2.814 17.017 -3.736 1.00 2.10 C ATOM 1560 C ALA A 98 -3.285 15.908 -2.774 1.00 22.23 C ATOM 1561 O ALA A 98 -4.477 15.795 -2.501 1.00 15.44 O ATOM 1562 CB ALA A 98 -2.472 16.413 -5.109 1.00 61.21 C ATOM 0 H ALA A 98 -0.800 17.647 -3.709 1.00 13.21 H new ATOM 0 HA ALA A 98 -3.629 17.730 -3.862 1.00 2.10 H new ATOM 0 HB1 ALA A 98 -3.335 15.869 -5.493 1.00 61.21 H new ATOM 0 HB2 ALA A 98 -2.209 17.212 -5.802 1.00 61.21 H new ATOM 0 HB3 ALA A 98 -1.629 15.729 -5.006 1.00 61.21 H new ATOM 1568 N HIS A 99 -2.334 15.101 -2.262 1.00 41.04 N ATOM 1569 CA HIS A 99 -2.634 13.996 -1.322 1.00 12.51 C ATOM 1570 C HIS A 99 -3.085 14.499 0.069 1.00 22.13 C ATOM 1571 O HIS A 99 -3.955 13.891 0.691 1.00 1.32 O ATOM 1572 CB HIS A 99 -1.422 13.036 -1.197 1.00 44.11 C ATOM 1573 CG HIS A 99 -1.229 12.172 -2.414 1.00 33.10 C ATOM 1574 ND1 HIS A 99 -2.045 11.099 -2.699 1.00 63.14 N ATOM 1575 CD2 HIS A 99 -0.337 12.229 -3.426 1.00 43.42 C ATOM 1576 CE1 HIS A 99 -1.666 10.539 -3.825 1.00 30.53 C ATOM 1577 NE2 HIS A 99 -0.632 11.203 -4.292 1.00 21.04 N ATOM 0 H HIS A 99 -1.343 15.193 -2.485 1.00 41.04 H new ATOM 0 HA HIS A 99 -3.476 13.446 -1.742 1.00 12.51 H new ATOM 0 HB2 HIS A 99 -0.518 13.621 -1.026 1.00 44.11 H new ATOM 0 HB3 HIS A 99 -1.559 12.399 -0.323 1.00 44.11 H new ATOM 0 HD1 HIS A 99 -2.826 10.787 -2.122 1.00 63.14 H new ATOM 0 HD2 HIS A 99 0.461 12.948 -3.535 1.00 43.42 H new ATOM 0 HE1 HIS A 99 -2.126 9.679 -4.289 1.00 30.53 H new ATOM 1586 N ALA A 100 -2.484 15.597 0.550 1.00 60.43 N ATOM 1587 CA ALA A 100 -2.919 16.253 1.805 1.00 5.41 C ATOM 1588 C ALA A 100 -4.374 16.773 1.703 1.00 43.33 C ATOM 1589 O ALA A 100 -5.178 16.599 2.627 1.00 35.42 O ATOM 1590 CB ALA A 100 -1.954 17.387 2.178 1.00 21.25 C ATOM 0 H ALA A 100 -1.695 16.054 0.093 1.00 60.43 H new ATOM 0 HA ALA A 100 -2.898 15.505 2.598 1.00 5.41 H new ATOM 0 HB1 ALA A 100 -2.287 17.859 3.102 1.00 21.25 H new ATOM 0 HB2 ALA A 100 -0.952 16.981 2.319 1.00 21.25 H new ATOM 0 HB3 ALA A 100 -1.936 18.127 1.378 1.00 21.25 H new ATOM 1596 N ALA A 101 -4.707 17.376 0.548 1.00 13.45 N ATOM 1597 CA ALA A 101 -6.064 17.898 0.265 1.00 31.22 C ATOM 1598 C ALA A 101 -7.093 16.758 0.045 1.00 31.54 C ATOM 1599 O ALA A 101 -8.254 16.888 0.429 1.00 33.42 O ATOM 1600 CB ALA A 101 -6.029 18.832 -0.952 1.00 73.13 C ATOM 0 H ALA A 101 -4.047 17.517 -0.217 1.00 13.45 H new ATOM 0 HA ALA A 101 -6.388 18.461 1.140 1.00 31.22 H new ATOM 0 HB1 ALA A 101 -7.032 19.209 -1.150 1.00 73.13 H new ATOM 0 HB2 ALA A 101 -5.360 19.669 -0.750 1.00 73.13 H new ATOM 0 HB3 ALA A 101 -5.670 18.283 -1.822 1.00 73.13 H new ATOM 1606 N THR A 102 -6.649 15.646 -0.580 1.00 73.21 N ATOM 1607 CA THR A 102 -7.508 14.450 -0.830 1.00 32.22 C ATOM 1608 C THR A 102 -7.826 13.713 0.488 1.00 52.41 C ATOM 1609 O THR A 102 -8.945 13.227 0.683 1.00 1.05 O ATOM 1610 CB THR A 102 -6.861 13.453 -1.860 1.00 43.11 C ATOM 1611 OG1 THR A 102 -6.618 14.136 -3.101 1.00 3.21 O ATOM 1612 CG2 THR A 102 -7.751 12.224 -2.145 1.00 74.25 C ATOM 0 H THR A 102 -5.695 15.544 -0.926 1.00 73.21 H new ATOM 0 HA THR A 102 -8.436 14.820 -1.266 1.00 32.22 H new ATOM 0 HB THR A 102 -5.932 13.098 -1.414 1.00 43.11 H new ATOM 0 HG1 THR A 102 -5.848 14.734 -3.000 1.00 3.21 H new ATOM 0 HG21 THR A 102 -7.252 11.572 -2.862 1.00 74.25 H new ATOM 0 HG22 THR A 102 -7.925 11.678 -1.218 1.00 74.25 H new ATOM 0 HG23 THR A 102 -8.705 12.553 -2.556 1.00 74.25 H new ATOM 1620 N TYR A 103 -6.827 13.638 1.385 1.00 2.25 N ATOM 1621 CA TYR A 103 -6.998 13.131 2.764 1.00 21.13 C ATOM 1622 C TYR A 103 -8.132 13.876 3.525 1.00 64.03 C ATOM 1623 O TYR A 103 -8.965 13.250 4.181 1.00 73.20 O ATOM 1624 CB TYR A 103 -5.648 13.256 3.532 1.00 41.00 C ATOM 1625 CG TYR A 103 -5.743 12.930 5.034 1.00 1.40 C ATOM 1626 CD1 TYR A 103 -6.029 11.637 5.467 1.00 54.34 C ATOM 1627 CD2 TYR A 103 -5.588 13.919 6.015 1.00 25.32 C ATOM 1628 CE1 TYR A 103 -6.159 11.344 6.809 1.00 43.03 C ATOM 1629 CE2 TYR A 103 -5.710 13.619 7.360 1.00 4.00 C ATOM 1630 CZ TYR A 103 -5.999 12.330 7.748 1.00 15.01 C ATOM 1631 OH TYR A 103 -6.138 12.025 9.084 1.00 2.33 O ATOM 0 H TYR A 103 -5.872 13.928 1.175 1.00 2.25 H new ATOM 0 HA TYR A 103 -7.292 12.083 2.706 1.00 21.13 H new ATOM 0 HB2 TYR A 103 -4.919 12.589 3.072 1.00 41.00 H new ATOM 0 HB3 TYR A 103 -5.269 14.271 3.415 1.00 41.00 H new ATOM 0 HD1 TYR A 103 -6.151 10.849 4.738 1.00 54.34 H new ATOM 0 HD2 TYR A 103 -5.369 14.933 5.716 1.00 25.32 H new ATOM 0 HE1 TYR A 103 -6.387 10.335 7.120 1.00 43.03 H new ATOM 0 HE2 TYR A 103 -5.579 14.392 8.102 1.00 4.00 H new ATOM 0 HH TYR A 103 -5.254 11.879 9.480 1.00 2.33 H new ATOM 1641 N HIS A 104 -8.132 15.213 3.447 1.00 35.34 N ATOM 1642 CA HIS A 104 -9.132 16.051 4.145 1.00 65.00 C ATOM 1643 C HIS A 104 -10.517 16.054 3.439 1.00 63.14 C ATOM 1644 O HIS A 104 -11.553 15.913 4.100 1.00 70.13 O ATOM 1645 CB HIS A 104 -8.587 17.491 4.318 1.00 61.43 C ATOM 1646 CG HIS A 104 -7.464 17.598 5.320 1.00 32.53 C ATOM 1647 ND1 HIS A 104 -7.639 17.328 6.661 1.00 51.04 N ATOM 1648 CD2 HIS A 104 -6.157 17.940 5.183 1.00 41.43 C ATOM 1649 CE1 HIS A 104 -6.503 17.499 7.298 1.00 25.14 C ATOM 1650 NE2 HIS A 104 -5.592 17.868 6.429 1.00 42.32 N ATOM 0 H HIS A 104 -7.450 15.745 2.907 1.00 35.34 H new ATOM 0 HA HIS A 104 -9.297 15.610 5.128 1.00 65.00 H new ATOM 0 HB2 HIS A 104 -8.237 17.856 3.352 1.00 61.43 H new ATOM 0 HB3 HIS A 104 -9.403 18.144 4.629 1.00 61.43 H new ATOM 0 HD2 HIS A 104 -5.658 18.216 4.266 1.00 41.43 H new ATOM 0 HE1 HIS A 104 -6.346 17.360 8.357 1.00 25.14 H new ATOM 0 HE2 HIS A 104 -4.616 18.070 6.647 1.00 42.32 H new ATOM 1659 N SER A 105 -10.532 16.209 2.103 1.00 24.21 N ATOM 1660 CA SER A 105 -11.792 16.400 1.329 1.00 62.40 C ATOM 1661 C SER A 105 -12.499 15.067 0.973 1.00 51.04 C ATOM 1662 O SER A 105 -13.732 14.994 0.976 1.00 11.40 O ATOM 1663 CB SER A 105 -11.499 17.182 0.025 1.00 64.32 C ATOM 1664 OG SER A 105 -12.667 17.366 -0.765 1.00 25.41 O ATOM 0 H SER A 105 -9.690 16.207 1.528 1.00 24.21 H new ATOM 0 HA SER A 105 -12.467 16.963 1.974 1.00 62.40 H new ATOM 0 HB2 SER A 105 -11.074 18.154 0.274 1.00 64.32 H new ATOM 0 HB3 SER A 105 -10.749 16.646 -0.557 1.00 64.32 H new ATOM 0 HG SER A 105 -12.438 17.865 -1.577 1.00 25.41 H new ATOM 1670 N HIS A 106 -11.720 14.020 0.645 1.00 2.41 N ATOM 1671 CA HIS A 106 -12.277 12.693 0.238 1.00 71.21 C ATOM 1672 C HIS A 106 -12.006 11.574 1.275 1.00 4.33 C ATOM 1673 O HIS A 106 -12.627 10.510 1.203 1.00 54.11 O ATOM 1674 CB HIS A 106 -11.702 12.292 -1.143 1.00 20.14 C ATOM 1675 CG HIS A 106 -11.996 13.278 -2.245 1.00 22.21 C ATOM 1676 ND1 HIS A 106 -13.178 13.291 -2.952 1.00 64.12 N ATOM 1677 CD2 HIS A 106 -11.252 14.286 -2.755 1.00 52.23 C ATOM 1678 CE1 HIS A 106 -13.150 14.256 -3.842 1.00 31.44 C ATOM 1679 NE2 HIS A 106 -11.996 14.874 -3.748 1.00 25.02 N ATOM 0 H HIS A 106 -10.701 14.056 0.650 1.00 2.41 H new ATOM 0 HA HIS A 106 -13.360 12.804 0.179 1.00 71.21 H new ATOM 0 HB2 HIS A 106 -10.622 12.175 -1.054 1.00 20.14 H new ATOM 0 HB3 HIS A 106 -12.106 11.319 -1.424 1.00 20.14 H new ATOM 0 HD2 HIS A 106 -10.260 14.574 -2.440 1.00 52.23 H new ATOM 0 HE1 HIS A 106 -13.942 14.500 -4.534 1.00 31.44 H new ATOM 0 HE2 HIS A 106 -11.699 15.664 -4.321 1.00 25.02 H new ATOM 1688 N GLY A 107 -11.080 11.811 2.223 1.00 62.12 N ATOM 1689 CA GLY A 107 -10.799 10.848 3.309 1.00 71.44 C ATOM 1690 C GLY A 107 -9.485 10.077 3.151 1.00 10.24 C ATOM 1691 O GLY A 107 -8.899 10.054 2.065 1.00 33.45 O ATOM 0 H GLY A 107 -10.514 12.659 2.261 1.00 62.12 H new ATOM 0 HA2 GLY A 107 -10.778 11.385 4.257 1.00 71.44 H new ATOM 0 HA3 GLY A 107 -11.620 10.133 3.365 1.00 71.44 H new ATOM 1695 N TYR A 108 -9.038 9.433 4.260 1.00 22.53 N ATOM 1696 CA TYR A 108 -7.799 8.610 4.300 1.00 55.12 C ATOM 1697 C TYR A 108 -7.879 7.430 3.307 1.00 34.33 C ATOM 1698 O TYR A 108 -6.920 7.154 2.583 1.00 2.52 O ATOM 1699 CB TYR A 108 -7.563 8.083 5.742 1.00 42.01 C ATOM 1700 CG TYR A 108 -6.221 7.347 5.979 1.00 32.41 C ATOM 1701 CD1 TYR A 108 -5.055 8.054 6.297 1.00 50.53 C ATOM 1702 CD2 TYR A 108 -6.124 5.951 5.918 1.00 20.34 C ATOM 1703 CE1 TYR A 108 -3.857 7.405 6.538 1.00 21.14 C ATOM 1704 CE2 TYR A 108 -4.926 5.301 6.165 1.00 31.24 C ATOM 1705 CZ TYR A 108 -3.798 6.031 6.475 1.00 42.52 C ATOM 1706 OH TYR A 108 -2.609 5.385 6.736 1.00 73.13 O ATOM 0 H TYR A 108 -9.527 9.469 5.154 1.00 22.53 H new ATOM 0 HA TYR A 108 -6.960 9.240 4.004 1.00 55.12 H new ATOM 0 HB2 TYR A 108 -7.620 8.926 6.431 1.00 42.01 H new ATOM 0 HB3 TYR A 108 -8.378 7.406 5.999 1.00 42.01 H new ATOM 0 HD1 TYR A 108 -5.092 9.132 6.356 1.00 50.53 H new ATOM 0 HD2 TYR A 108 -7.001 5.370 5.673 1.00 20.34 H new ATOM 0 HE1 TYR A 108 -2.971 7.975 6.775 1.00 21.14 H new ATOM 0 HE2 TYR A 108 -4.875 4.223 6.115 1.00 31.24 H new ATOM 0 HH TYR A 108 -2.604 4.514 6.286 1.00 73.13 H new ATOM 1716 N ASP A 109 -9.041 6.750 3.296 1.00 4.42 N ATOM 1717 CA ASP A 109 -9.301 5.603 2.399 1.00 64.31 C ATOM 1718 C ASP A 109 -9.187 5.995 0.905 1.00 11.35 C ATOM 1719 O ASP A 109 -8.448 5.360 0.151 1.00 72.30 O ATOM 1720 CB ASP A 109 -10.678 4.956 2.726 1.00 13.05 C ATOM 1721 CG ASP A 109 -11.818 5.986 2.806 1.00 72.21 C ATOM 1722 OD1 ASP A 109 -12.037 6.549 3.898 1.00 1.24 O ATOM 1723 OD2 ASP A 109 -12.464 6.273 1.774 1.00 73.31 O ATOM 0 H ASP A 109 -9.826 6.978 3.906 1.00 4.42 H new ATOM 0 HA ASP A 109 -8.527 4.857 2.579 1.00 64.31 H new ATOM 0 HB2 ASP A 109 -10.917 4.216 1.962 1.00 13.05 H new ATOM 0 HB3 ASP A 109 -10.608 4.424 3.675 1.00 13.05 H new ATOM 1728 N ALA A 110 -9.879 7.079 0.513 1.00 43.21 N ATOM 1729 CA ALA A 110 -9.885 7.586 -0.878 1.00 1.35 C ATOM 1730 C ALA A 110 -8.492 8.086 -1.325 1.00 61.32 C ATOM 1731 O ALA A 110 -8.127 7.958 -2.504 1.00 4.21 O ATOM 1732 CB ALA A 110 -10.917 8.701 -1.017 1.00 70.24 C ATOM 0 H ALA A 110 -10.452 7.632 1.150 1.00 43.21 H new ATOM 0 HA ALA A 110 -10.152 6.755 -1.531 1.00 1.35 H new ATOM 0 HB1 ALA A 110 -10.917 9.071 -2.042 1.00 70.24 H new ATOM 0 HB2 ALA A 110 -11.906 8.314 -0.770 1.00 70.24 H new ATOM 0 HB3 ALA A 110 -10.666 9.516 -0.338 1.00 70.24 H new ATOM 1738 N ASP A 111 -7.731 8.655 -0.369 1.00 60.32 N ATOM 1739 CA ASP A 111 -6.355 9.119 -0.617 1.00 74.53 C ATOM 1740 C ASP A 111 -5.428 7.926 -0.926 1.00 2.33 C ATOM 1741 O ASP A 111 -4.713 7.939 -1.923 1.00 43.41 O ATOM 1742 CB ASP A 111 -5.820 9.940 0.590 1.00 31.11 C ATOM 1743 CG ASP A 111 -4.441 10.560 0.312 1.00 35.41 C ATOM 1744 OD1 ASP A 111 -4.300 11.216 -0.741 1.00 64.41 O ATOM 1745 OD2 ASP A 111 -3.493 10.371 1.112 1.00 35.43 O ATOM 0 H ASP A 111 -8.051 8.804 0.588 1.00 60.32 H new ATOM 0 HA ASP A 111 -6.368 9.775 -1.488 1.00 74.53 H new ATOM 0 HB2 ASP A 111 -6.530 10.732 0.830 1.00 31.11 H new ATOM 0 HB3 ASP A 111 -5.755 9.294 1.465 1.00 31.11 H new ATOM 1750 N ILE A 112 -5.484 6.881 -0.075 1.00 42.24 N ATOM 1751 CA ILE A 112 -4.686 5.641 -0.253 1.00 25.40 C ATOM 1752 C ILE A 112 -5.065 4.887 -1.560 1.00 20.12 C ATOM 1753 O ILE A 112 -4.196 4.291 -2.213 1.00 24.34 O ATOM 1754 CB ILE A 112 -4.791 4.706 1.009 1.00 34.33 C ATOM 1755 CG1 ILE A 112 -4.184 5.419 2.272 1.00 72.54 C ATOM 1756 CG2 ILE A 112 -4.135 3.315 0.781 1.00 22.40 C ATOM 1757 CD1 ILE A 112 -2.712 5.789 2.168 1.00 23.23 C ATOM 0 H ILE A 112 -6.080 6.868 0.753 1.00 42.24 H new ATOM 0 HA ILE A 112 -3.643 5.941 -0.353 1.00 25.40 H new ATOM 0 HB ILE A 112 -5.851 4.521 1.185 1.00 34.33 H new ATOM 0 HG12 ILE A 112 -4.756 6.326 2.466 1.00 72.54 H new ATOM 0 HG13 ILE A 112 -4.317 4.767 3.135 1.00 72.54 H new ATOM 0 HG21 ILE A 112 -4.237 2.712 1.683 1.00 22.40 H new ATOM 0 HG22 ILE A 112 -4.629 2.811 -0.050 1.00 22.40 H new ATOM 0 HG23 ILE A 112 -3.078 3.445 0.549 1.00 22.40 H new ATOM 0 HD11 ILE A 112 -2.393 6.275 3.090 1.00 23.23 H new ATOM 0 HD12 ILE A 112 -2.121 4.887 2.009 1.00 23.23 H new ATOM 0 HD13 ILE A 112 -2.566 6.471 1.330 1.00 23.23 H new ATOM 1769 N ASN A 113 -6.353 4.958 -1.961 1.00 44.02 N ATOM 1770 CA ASN A 113 -6.810 4.442 -3.278 1.00 51.14 C ATOM 1771 C ASN A 113 -6.090 5.158 -4.452 1.00 12.34 C ATOM 1772 O ASN A 113 -5.874 4.553 -5.495 1.00 65.04 O ATOM 1773 CB ASN A 113 -8.356 4.545 -3.446 1.00 41.42 C ATOM 1774 CG ASN A 113 -9.110 3.376 -2.805 1.00 1.25 C ATOM 1775 OD1 ASN A 113 -9.236 2.310 -3.397 1.00 10.45 O ATOM 1776 ND2 ASN A 113 -9.649 3.563 -1.621 1.00 2.21 N ATOM 0 H ASN A 113 -7.097 5.366 -1.395 1.00 44.02 H new ATOM 0 HA ASN A 113 -6.543 3.385 -3.304 1.00 51.14 H new ATOM 0 HB2 ASN A 113 -8.702 5.479 -3.003 1.00 41.42 H new ATOM 0 HB3 ASN A 113 -8.598 4.587 -4.508 1.00 41.42 H new ATOM 0 HD21 ASN A 113 -10.183 2.814 -1.180 1.00 2.21 H new ATOM 0 HD22 ASN A 113 -9.533 4.457 -1.143 1.00 2.21 H new ATOM 1783 N SER A 114 -5.715 6.440 -4.273 1.00 21.25 N ATOM 1784 CA SER A 114 -4.943 7.191 -5.299 1.00 12.14 C ATOM 1785 C SER A 114 -3.512 6.619 -5.496 1.00 74.21 C ATOM 1786 O SER A 114 -2.964 6.686 -6.601 1.00 43.31 O ATOM 1787 CB SER A 114 -4.887 8.703 -4.966 1.00 41.12 C ATOM 1788 OG SER A 114 -4.198 9.436 -5.974 1.00 74.03 O ATOM 0 H SER A 114 -5.930 6.980 -3.435 1.00 21.25 H new ATOM 0 HA SER A 114 -5.474 7.066 -6.242 1.00 12.14 H new ATOM 0 HB2 SER A 114 -5.900 9.091 -4.861 1.00 41.12 H new ATOM 0 HB3 SER A 114 -4.390 8.847 -4.007 1.00 41.12 H new ATOM 0 HG SER A 114 -4.182 10.386 -5.734 1.00 74.03 H new ATOM 1794 N TYR A 115 -2.910 6.047 -4.427 1.00 52.14 N ATOM 1795 CA TYR A 115 -1.567 5.424 -4.518 1.00 62.20 C ATOM 1796 C TYR A 115 -1.646 4.014 -5.180 1.00 34.43 C ATOM 1797 O TYR A 115 -0.824 3.663 -6.033 1.00 5.31 O ATOM 1798 CB TYR A 115 -0.942 5.270 -3.094 1.00 52.30 C ATOM 1799 CG TYR A 115 -0.753 6.571 -2.281 1.00 44.14 C ATOM 1800 CD1 TYR A 115 -1.825 7.189 -1.663 1.00 42.34 C ATOM 1801 CD2 TYR A 115 0.505 7.157 -2.101 1.00 34.13 C ATOM 1802 CE1 TYR A 115 -1.673 8.331 -0.907 1.00 41.31 C ATOM 1803 CE2 TYR A 115 0.661 8.304 -1.349 1.00 10.22 C ATOM 1804 CZ TYR A 115 -0.428 8.886 -0.755 1.00 31.11 C ATOM 1805 OH TYR A 115 -0.272 10.027 0.000 1.00 13.50 O ATOM 0 H TYR A 115 -3.329 6.004 -3.498 1.00 52.14 H new ATOM 0 HA TYR A 115 -0.945 6.076 -5.131 1.00 62.20 H new ATOM 0 HB2 TYR A 115 -1.572 4.595 -2.516 1.00 52.30 H new ATOM 0 HB3 TYR A 115 0.030 4.788 -3.198 1.00 52.30 H new ATOM 0 HD1 TYR A 115 -2.811 6.764 -1.776 1.00 42.34 H new ATOM 0 HD2 TYR A 115 1.371 6.703 -2.560 1.00 34.13 H new ATOM 0 HE1 TYR A 115 -2.531 8.787 -0.436 1.00 41.31 H new ATOM 0 HE2 TYR A 115 1.641 8.742 -1.229 1.00 10.22 H new ATOM 0 HH TYR A 115 0.620 10.031 0.406 1.00 13.50 H new ATOM 1815 N ILE A 116 -2.670 3.241 -4.777 1.00 0.30 N ATOM 1816 CA ILE A 116 -2.801 1.796 -5.119 1.00 32.52 C ATOM 1817 C ILE A 116 -3.514 1.530 -6.474 1.00 11.22 C ATOM 1818 O ILE A 116 -3.091 0.678 -7.258 1.00 74.43 O ATOM 1819 CB ILE A 116 -3.568 1.071 -3.951 1.00 70.14 C ATOM 1820 CG1 ILE A 116 -2.820 1.284 -2.594 1.00 33.25 C ATOM 1821 CG2 ILE A 116 -3.770 -0.433 -4.238 1.00 20.05 C ATOM 1822 CD1 ILE A 116 -1.425 0.684 -2.537 1.00 2.31 C ATOM 0 H ILE A 116 -3.437 3.593 -4.203 1.00 0.30 H new ATOM 0 HA ILE A 116 -1.793 1.399 -5.236 1.00 32.52 H new ATOM 0 HB ILE A 116 -4.559 1.519 -3.880 1.00 70.14 H new ATOM 0 HG12 ILE A 116 -2.749 2.354 -2.398 1.00 33.25 H new ATOM 0 HG13 ILE A 116 -3.420 0.852 -1.793 1.00 33.25 H new ATOM 0 HG21 ILE A 116 -4.303 -0.894 -3.406 1.00 20.05 H new ATOM 0 HG22 ILE A 116 -4.350 -0.554 -5.153 1.00 20.05 H new ATOM 0 HG23 ILE A 116 -2.799 -0.914 -4.358 1.00 20.05 H new ATOM 0 HD11 ILE A 116 -0.984 0.881 -1.560 1.00 2.31 H new ATOM 0 HD12 ILE A 116 -1.485 -0.392 -2.698 1.00 2.31 H new ATOM 0 HD13 ILE A 116 -0.804 1.133 -3.312 1.00 2.31 H new ATOM 1834 N ASP A 117 -4.598 2.262 -6.737 1.00 15.04 N ATOM 1835 CA ASP A 117 -5.422 2.088 -7.966 1.00 12.14 C ATOM 1836 C ASP A 117 -4.797 2.838 -9.180 1.00 51.25 C ATOM 1837 O ASP A 117 -5.318 2.765 -10.303 1.00 31.12 O ATOM 1838 CB ASP A 117 -6.872 2.580 -7.679 1.00 31.52 C ATOM 1839 CG ASP A 117 -7.885 2.253 -8.797 1.00 32.15 C ATOM 1840 OD1 ASP A 117 -8.405 1.120 -8.825 1.00 21.34 O ATOM 1841 OD2 ASP A 117 -8.163 3.129 -9.647 1.00 42.54 O ATOM 0 H ASP A 117 -4.941 2.994 -6.115 1.00 15.04 H new ATOM 0 HA ASP A 117 -5.449 1.031 -8.232 1.00 12.14 H new ATOM 0 HB2 ASP A 117 -7.218 2.131 -6.748 1.00 31.52 H new ATOM 0 HB3 ASP A 117 -6.854 3.659 -7.525 1.00 31.52 H new ATOM 1846 N SER A 118 -3.651 3.518 -8.950 1.00 24.35 N ATOM 1847 CA SER A 118 -2.970 4.341 -9.977 1.00 61.21 C ATOM 1848 C SER A 118 -2.565 3.495 -11.211 1.00 24.20 C ATOM 1849 O SER A 118 -2.118 2.349 -11.062 1.00 71.42 O ATOM 1850 CB SER A 118 -1.723 5.035 -9.381 1.00 70.34 C ATOM 1851 OG SER A 118 -1.095 5.868 -10.346 1.00 13.41 O ATOM 0 H SER A 118 -3.172 3.512 -8.049 1.00 24.35 H new ATOM 0 HA SER A 118 -3.678 5.101 -10.306 1.00 61.21 H new ATOM 0 HB2 SER A 118 -2.012 5.630 -8.515 1.00 70.34 H new ATOM 0 HB3 SER A 118 -1.017 4.283 -9.030 1.00 70.34 H new ATOM 0 HG SER A 118 -0.411 6.417 -9.909 1.00 13.41 H new ATOM 1857 N ALA A 119 -2.740 4.074 -12.416 1.00 45.14 N ATOM 1858 CA ALA A 119 -2.454 3.396 -13.706 1.00 70.24 C ATOM 1859 C ALA A 119 -0.978 2.946 -13.809 1.00 24.41 C ATOM 1860 O ALA A 119 -0.690 1.830 -14.253 1.00 14.21 O ATOM 1861 CB ALA A 119 -2.819 4.325 -14.877 1.00 55.11 C ATOM 0 H ALA A 119 -3.084 5.028 -12.527 1.00 45.14 H new ATOM 0 HA ALA A 119 -3.068 2.496 -13.754 1.00 70.24 H new ATOM 0 HB1 ALA A 119 -2.607 3.822 -15.820 1.00 55.11 H new ATOM 0 HB2 ALA A 119 -3.879 4.573 -14.828 1.00 55.11 H new ATOM 0 HB3 ALA A 119 -2.230 5.240 -14.813 1.00 55.11 H new ATOM 1867 N GLU A 120 -0.063 3.819 -13.348 1.00 2.14 N ATOM 1868 CA GLU A 120 1.396 3.558 -13.351 1.00 24.32 C ATOM 1869 C GLU A 120 1.771 2.367 -12.422 1.00 33.23 C ATOM 1870 O GLU A 120 2.683 1.601 -12.737 1.00 44.11 O ATOM 1871 CB GLU A 120 2.159 4.854 -12.950 1.00 31.43 C ATOM 1872 CG GLU A 120 1.910 5.345 -11.499 1.00 12.04 C ATOM 1873 CD GLU A 120 2.305 6.815 -11.257 1.00 1.32 C ATOM 1874 OE1 GLU A 120 3.436 7.209 -11.621 1.00 53.03 O ATOM 1875 OE2 GLU A 120 1.476 7.596 -10.729 1.00 34.42 O ATOM 0 H GLU A 120 -0.312 4.729 -12.961 1.00 2.14 H new ATOM 0 HA GLU A 120 1.694 3.271 -14.359 1.00 24.32 H new ATOM 0 HB2 GLU A 120 3.228 4.682 -13.080 1.00 31.43 H new ATOM 0 HB3 GLU A 120 1.878 5.650 -13.639 1.00 31.43 H new ATOM 0 HG2 GLU A 120 0.854 5.220 -11.260 1.00 12.04 H new ATOM 0 HG3 GLU A 120 2.470 4.711 -10.811 1.00 12.04 H new ATOM 1882 N TYR A 121 1.034 2.216 -11.293 1.00 53.12 N ATOM 1883 CA TYR A 121 1.189 1.069 -10.361 1.00 1.14 C ATOM 1884 C TYR A 121 0.661 -0.231 -11.024 1.00 71.22 C ATOM 1885 O TYR A 121 1.306 -1.273 -10.962 1.00 74.01 O ATOM 1886 CB TYR A 121 0.429 1.346 -9.029 1.00 12.43 C ATOM 1887 CG TYR A 121 0.495 0.201 -7.988 1.00 25.22 C ATOM 1888 CD1 TYR A 121 1.548 0.112 -7.077 1.00 70.52 C ATOM 1889 CD2 TYR A 121 -0.495 -0.792 -7.921 1.00 5.10 C ATOM 1890 CE1 TYR A 121 1.610 -0.914 -6.145 1.00 31.21 C ATOM 1891 CE2 TYR A 121 -0.434 -1.815 -6.989 1.00 62.13 C ATOM 1892 CZ TYR A 121 0.621 -1.873 -6.104 1.00 51.14 C ATOM 1893 OH TYR A 121 0.693 -2.895 -5.177 1.00 34.15 O ATOM 0 H TYR A 121 0.318 2.883 -11.003 1.00 53.12 H new ATOM 0 HA TYR A 121 2.248 0.942 -10.134 1.00 1.14 H new ATOM 0 HB2 TYR A 121 0.835 2.251 -8.578 1.00 12.43 H new ATOM 0 HB3 TYR A 121 -0.617 1.547 -9.260 1.00 12.43 H new ATOM 0 HD1 TYR A 121 2.330 0.856 -7.098 1.00 70.52 H new ATOM 0 HD2 TYR A 121 -1.324 -0.758 -8.612 1.00 5.10 H new ATOM 0 HE1 TYR A 121 2.435 -0.961 -5.450 1.00 31.21 H new ATOM 0 HE2 TYR A 121 -1.211 -2.565 -6.956 1.00 62.13 H new ATOM 0 HH TYR A 121 -0.082 -3.486 -5.280 1.00 34.15 H new ATOM 1903 N THR A 122 -0.524 -0.128 -11.658 1.00 74.35 N ATOM 1904 CA THR A 122 -1.186 -1.250 -12.374 1.00 71.35 C ATOM 1905 C THR A 122 -0.280 -1.850 -13.485 1.00 21.33 C ATOM 1906 O THR A 122 -0.312 -3.055 -13.742 1.00 42.52 O ATOM 1907 CB THR A 122 -2.549 -0.769 -12.992 1.00 35.32 C ATOM 1908 OG1 THR A 122 -3.430 -0.336 -11.936 1.00 15.12 O ATOM 1909 CG2 THR A 122 -3.266 -1.855 -13.830 1.00 4.23 C ATOM 0 H THR A 122 -1.057 0.741 -11.691 1.00 74.35 H new ATOM 0 HA THR A 122 -1.374 -2.037 -11.644 1.00 71.35 H new ATOM 0 HB THR A 122 -2.309 0.051 -13.669 1.00 35.32 H new ATOM 0 HG1 THR A 122 -3.112 0.517 -11.573 1.00 15.12 H new ATOM 0 HG21 THR A 122 -4.199 -1.453 -14.225 1.00 4.23 H new ATOM 0 HG22 THR A 122 -2.624 -2.160 -14.656 1.00 4.23 H new ATOM 0 HG23 THR A 122 -3.481 -2.718 -13.200 1.00 4.23 H new ATOM 1917 N GLU A 123 0.520 -0.990 -14.129 1.00 32.13 N ATOM 1918 CA GLU A 123 1.483 -1.402 -15.175 1.00 72.30 C ATOM 1919 C GLU A 123 2.791 -1.995 -14.579 1.00 31.21 C ATOM 1920 O GLU A 123 3.102 -3.171 -14.795 1.00 23.13 O ATOM 1921 CB GLU A 123 1.795 -0.189 -16.088 1.00 10.43 C ATOM 1922 CG GLU A 123 0.567 0.347 -16.847 1.00 12.24 C ATOM 1923 CD GLU A 123 0.869 1.616 -17.655 1.00 30.42 C ATOM 1924 OE1 GLU A 123 0.832 2.720 -17.074 1.00 15.34 O ATOM 1925 OE2 GLU A 123 1.162 1.510 -18.867 1.00 74.22 O ATOM 0 H GLU A 123 0.523 0.013 -13.944 1.00 32.13 H new ATOM 0 HA GLU A 123 1.024 -2.198 -15.762 1.00 72.30 H new ATOM 0 HB2 GLU A 123 2.214 0.613 -15.481 1.00 10.43 H new ATOM 0 HB3 GLU A 123 2.560 -0.476 -16.809 1.00 10.43 H new ATOM 0 HG2 GLU A 123 0.197 -0.426 -17.520 1.00 12.24 H new ATOM 0 HG3 GLU A 123 -0.230 0.558 -16.134 1.00 12.24 H new ATOM 1932 N SER A 124 3.537 -1.177 -13.810 1.00 74.35 N ATOM 1933 CA SER A 124 4.919 -1.530 -13.366 1.00 22.15 C ATOM 1934 C SER A 124 4.944 -2.470 -12.132 1.00 63.22 C ATOM 1935 O SER A 124 5.856 -3.294 -11.999 1.00 41.34 O ATOM 1936 CB SER A 124 5.721 -0.241 -13.066 1.00 23.04 C ATOM 1937 OG SER A 124 5.137 0.504 -12.017 1.00 11.13 O ATOM 0 H SER A 124 3.215 -0.267 -13.479 1.00 74.35 H new ATOM 0 HA SER A 124 5.382 -2.079 -14.186 1.00 22.15 H new ATOM 0 HB2 SER A 124 6.745 -0.503 -12.800 1.00 23.04 H new ATOM 0 HB3 SER A 124 5.772 0.374 -13.965 1.00 23.04 H new ATOM 0 HG SER A 124 5.332 0.071 -11.160 1.00 11.13 H new ATOM 1943 N PHE A 125 3.961 -2.324 -11.220 1.00 12.22 N ATOM 1944 CA PHE A 125 3.828 -3.192 -10.009 1.00 71.45 C ATOM 1945 C PHE A 125 2.582 -4.116 -10.090 1.00 20.33 C ATOM 1946 O PHE A 125 2.238 -4.773 -9.101 1.00 52.03 O ATOM 1947 CB PHE A 125 3.759 -2.324 -8.723 1.00 73.15 C ATOM 1948 CG PHE A 125 4.938 -1.372 -8.546 1.00 4.35 C ATOM 1949 CD1 PHE A 125 6.119 -1.792 -7.935 1.00 25.42 C ATOM 1950 CD2 PHE A 125 4.872 -0.056 -9.004 1.00 32.02 C ATOM 1951 CE1 PHE A 125 7.190 -0.928 -7.792 1.00 4.43 C ATOM 1952 CE2 PHE A 125 5.943 0.802 -8.860 1.00 22.33 C ATOM 1953 CZ PHE A 125 7.103 0.366 -8.254 1.00 12.42 C ATOM 0 H PHE A 125 3.237 -1.609 -11.292 1.00 12.22 H new ATOM 0 HA PHE A 125 4.713 -3.828 -9.970 1.00 71.45 H new ATOM 0 HB2 PHE A 125 2.837 -1.743 -8.740 1.00 73.15 H new ATOM 0 HB3 PHE A 125 3.705 -2.983 -7.856 1.00 73.15 H new ATOM 0 HD1 PHE A 125 6.199 -2.805 -7.569 1.00 25.42 H new ATOM 0 HD2 PHE A 125 3.968 0.297 -9.479 1.00 32.02 H new ATOM 0 HE1 PHE A 125 8.097 -1.270 -7.316 1.00 4.43 H new ATOM 0 HE2 PHE A 125 5.873 1.817 -9.222 1.00 22.33 H new ATOM 0 HZ PHE A 125 7.941 1.038 -8.142 1.00 12.42 H new ATOM 1963 N GLY A 126 1.894 -4.128 -11.255 1.00 42.14 N ATOM 1964 CA GLY A 126 0.797 -5.084 -11.538 1.00 4.03 C ATOM 1965 C GLY A 126 -0.357 -5.091 -10.524 1.00 21.12 C ATOM 1966 O GLY A 126 -0.544 -4.138 -9.753 1.00 25.13 O ATOM 0 H GLY A 126 2.081 -3.481 -12.021 1.00 42.14 H new ATOM 0 HA2 GLY A 126 0.389 -4.860 -12.524 1.00 4.03 H new ATOM 0 HA3 GLY A 126 1.218 -6.088 -11.588 1.00 4.03 H new ATOM 1970 N ASP A 127 -1.207 -6.130 -10.596 1.00 1.41 N ATOM 1971 CA ASP A 127 -2.198 -6.438 -9.535 1.00 33.34 C ATOM 1972 C ASP A 127 -1.617 -7.385 -8.461 1.00 75.24 C ATOM 1973 O ASP A 127 -2.021 -7.338 -7.303 1.00 32.24 O ATOM 1974 CB ASP A 127 -3.496 -7.025 -10.153 1.00 64.12 C ATOM 1975 CG ASP A 127 -3.286 -8.369 -10.871 1.00 4.41 C ATOM 1976 OD1 ASP A 127 -2.543 -8.401 -11.876 1.00 45.15 O ATOM 1977 OD2 ASP A 127 -3.858 -9.389 -10.437 1.00 5.03 O ATOM 0 H ASP A 127 -1.232 -6.779 -11.382 1.00 1.41 H new ATOM 0 HA ASP A 127 -2.446 -5.502 -9.035 1.00 33.34 H new ATOM 0 HB2 ASP A 127 -4.236 -7.157 -9.364 1.00 64.12 H new ATOM 0 HB3 ASP A 127 -3.909 -6.306 -10.861 1.00 64.12 H new ATOM 1982 N ASN A 128 -0.663 -8.251 -8.857 1.00 12.51 N ATOM 1983 CA ASN A 128 -0.112 -9.297 -7.958 1.00 4.41 C ATOM 1984 C ASN A 128 1.400 -9.161 -7.682 1.00 73.34 C ATOM 1985 O ASN A 128 1.970 -10.029 -7.010 1.00 54.32 O ATOM 1986 CB ASN A 128 -0.434 -10.708 -8.505 1.00 61.42 C ATOM 1987 CG ASN A 128 -1.907 -11.101 -8.368 1.00 43.45 C ATOM 1988 OD1 ASN A 128 -2.607 -10.648 -7.467 1.00 3.23 O ATOM 1989 ND2 ASN A 128 -2.387 -11.972 -9.235 1.00 52.42 N ATOM 0 H ASN A 128 -0.255 -8.251 -9.792 1.00 12.51 H new ATOM 0 HA ASN A 128 -0.606 -9.150 -6.997 1.00 4.41 H new ATOM 0 HB2 ASN A 128 -0.152 -10.753 -9.557 1.00 61.42 H new ATOM 0 HB3 ASN A 128 0.178 -11.440 -7.979 1.00 61.42 H new ATOM 0 HD21 ASN A 128 -3.356 -12.281 -9.164 1.00 52.42 H new ATOM 0 HD22 ASN A 128 -1.789 -12.336 -9.976 1.00 52.42 H new ATOM 1996 N VAL A 129 2.042 -8.074 -8.124 1.00 44.34 N ATOM 1997 CA VAL A 129 3.487 -7.859 -7.880 1.00 32.44 C ATOM 1998 C VAL A 129 3.665 -6.947 -6.640 1.00 32.41 C ATOM 1999 O VAL A 129 2.915 -5.978 -6.459 1.00 33.45 O ATOM 2000 CB VAL A 129 4.211 -7.223 -9.130 1.00 72.40 C ATOM 2001 CG1 VAL A 129 5.744 -7.152 -8.936 1.00 1.31 C ATOM 2002 CG2 VAL A 129 3.839 -7.961 -10.438 1.00 32.43 C ATOM 0 H VAL A 129 1.592 -7.327 -8.652 1.00 44.34 H new ATOM 0 HA VAL A 129 3.948 -8.830 -7.700 1.00 32.44 H new ATOM 0 HB VAL A 129 3.852 -6.198 -9.219 1.00 72.40 H new ATOM 0 HG11 VAL A 129 6.202 -6.708 -9.820 1.00 1.31 H new ATOM 0 HG12 VAL A 129 5.972 -6.541 -8.063 1.00 1.31 H new ATOM 0 HG13 VAL A 129 6.139 -8.157 -8.789 1.00 1.31 H new ATOM 0 HG21 VAL A 129 4.356 -7.496 -11.278 1.00 32.43 H new ATOM 0 HG22 VAL A 129 4.137 -9.007 -10.363 1.00 32.43 H new ATOM 0 HG23 VAL A 129 2.762 -7.901 -10.596 1.00 32.43 H new ATOM 2012 N VAL A 130 4.651 -7.278 -5.786 1.00 23.13 N ATOM 2013 CA VAL A 130 4.890 -6.576 -4.510 1.00 12.00 C ATOM 2014 C VAL A 130 5.618 -5.227 -4.766 1.00 22.12 C ATOM 2015 O VAL A 130 6.650 -5.209 -5.459 1.00 13.12 O ATOM 2016 CB VAL A 130 5.754 -7.474 -3.528 1.00 72.51 C ATOM 2017 CG1 VAL A 130 6.091 -6.735 -2.201 1.00 14.41 C ATOM 2018 CG2 VAL A 130 5.048 -8.826 -3.240 1.00 54.22 C ATOM 0 H VAL A 130 5.306 -8.041 -5.961 1.00 23.13 H new ATOM 0 HA VAL A 130 3.924 -6.379 -4.044 1.00 12.00 H new ATOM 0 HB VAL A 130 6.698 -7.679 -4.034 1.00 72.51 H new ATOM 0 HG11 VAL A 130 6.683 -7.389 -1.561 1.00 14.41 H new ATOM 0 HG12 VAL A 130 6.659 -5.831 -2.422 1.00 14.41 H new ATOM 0 HG13 VAL A 130 5.167 -6.466 -1.689 1.00 14.41 H new ATOM 0 HG21 VAL A 130 5.663 -9.421 -2.564 1.00 54.22 H new ATOM 0 HG22 VAL A 130 4.078 -8.639 -2.779 1.00 54.22 H new ATOM 0 HG23 VAL A 130 4.906 -9.369 -4.175 1.00 54.22 H new ATOM 2028 N PRO A 131 5.097 -4.076 -4.208 1.00 72.13 N ATOM 2029 CA PRO A 131 5.763 -2.757 -4.335 1.00 63.04 C ATOM 2030 C PRO A 131 7.127 -2.708 -3.595 1.00 45.22 C ATOM 2031 O PRO A 131 7.312 -3.313 -2.534 1.00 43.53 O ATOM 2032 CB PRO A 131 4.737 -1.762 -3.721 1.00 51.32 C ATOM 2033 CG PRO A 131 3.927 -2.602 -2.781 1.00 2.30 C ATOM 2034 CD PRO A 131 3.819 -3.962 -3.446 1.00 5.14 C ATOM 0 HA PRO A 131 6.012 -2.521 -5.370 1.00 63.04 H new ATOM 0 HB2 PRO A 131 5.237 -0.947 -3.197 1.00 51.32 H new ATOM 0 HB3 PRO A 131 4.111 -1.310 -4.491 1.00 51.32 H new ATOM 0 HG2 PRO A 131 4.410 -2.678 -1.807 1.00 2.30 H new ATOM 0 HG3 PRO A 131 2.942 -2.167 -2.615 1.00 2.30 H new ATOM 0 HD2 PRO A 131 3.716 -4.761 -2.712 1.00 5.14 H new ATOM 0 HD3 PRO A 131 2.952 -4.020 -4.104 1.00 5.14 H new ATOM 2042 N TYR A 132 8.079 -2.021 -4.222 1.00 51.23 N ATOM 2043 CA TYR A 132 9.427 -1.751 -3.681 1.00 34.40 C ATOM 2044 C TYR A 132 9.814 -0.307 -4.046 1.00 24.22 C ATOM 2045 O TYR A 132 9.299 0.222 -5.042 1.00 74.32 O ATOM 2046 CB TYR A 132 10.457 -2.759 -4.280 1.00 53.32 C ATOM 2047 CG TYR A 132 10.529 -2.742 -5.826 1.00 23.30 C ATOM 2048 CD1 TYR A 132 9.602 -3.452 -6.598 1.00 21.41 C ATOM 2049 CD2 TYR A 132 11.497 -1.989 -6.507 1.00 41.21 C ATOM 2050 CE1 TYR A 132 9.643 -3.414 -7.976 1.00 41.03 C ATOM 2051 CE2 TYR A 132 11.533 -1.949 -7.888 1.00 74.32 C ATOM 2052 CZ TYR A 132 10.608 -2.662 -8.617 1.00 74.23 C ATOM 2053 OH TYR A 132 10.645 -2.624 -9.994 1.00 73.12 O ATOM 0 H TYR A 132 7.938 -1.621 -5.150 1.00 51.23 H new ATOM 0 HA TYR A 132 9.428 -1.871 -2.598 1.00 34.40 H new ATOM 0 HB2 TYR A 132 11.445 -2.535 -3.878 1.00 53.32 H new ATOM 0 HB3 TYR A 132 10.199 -3.765 -3.950 1.00 53.32 H new ATOM 0 HD1 TYR A 132 8.841 -4.040 -6.106 1.00 21.41 H new ATOM 0 HD2 TYR A 132 12.228 -1.430 -5.941 1.00 41.21 H new ATOM 0 HE1 TYR A 132 8.921 -3.972 -8.554 1.00 41.03 H new ATOM 0 HE2 TYR A 132 12.284 -1.360 -8.394 1.00 74.32 H new ATOM 0 HH TYR A 132 11.383 -2.049 -10.286 1.00 73.12 H new ATOM 2063 N PHE A 133 10.724 0.329 -3.275 1.00 73.52 N ATOM 2064 CA PHE A 133 11.277 1.638 -3.676 1.00 62.34 C ATOM 2065 C PHE A 133 12.142 1.459 -4.944 1.00 42.55 C ATOM 2066 O PHE A 133 12.990 0.562 -5.010 1.00 45.30 O ATOM 2067 CB PHE A 133 12.094 2.301 -2.532 1.00 2.41 C ATOM 2068 CG PHE A 133 12.655 3.690 -2.891 1.00 74.54 C ATOM 2069 CD1 PHE A 133 11.804 4.709 -3.327 1.00 75.25 C ATOM 2070 CD2 PHE A 133 14.024 3.970 -2.825 1.00 64.53 C ATOM 2071 CE1 PHE A 133 12.295 5.953 -3.675 1.00 25.01 C ATOM 2072 CE2 PHE A 133 14.514 5.216 -3.180 1.00 32.52 C ATOM 2073 CZ PHE A 133 13.649 6.207 -3.604 1.00 74.34 C ATOM 0 H PHE A 133 11.083 -0.034 -2.392 1.00 73.52 H new ATOM 0 HA PHE A 133 10.447 2.310 -3.894 1.00 62.34 H new ATOM 0 HB2 PHE A 133 11.459 2.393 -1.651 1.00 2.41 H new ATOM 0 HB3 PHE A 133 12.921 1.645 -2.262 1.00 2.41 H new ATOM 0 HD1 PHE A 133 10.743 4.521 -3.393 1.00 75.25 H new ATOM 0 HD2 PHE A 133 14.709 3.204 -2.493 1.00 64.53 H new ATOM 0 HE1 PHE A 133 11.618 6.728 -4.003 1.00 25.01 H new ATOM 0 HE2 PHE A 133 15.574 5.414 -3.125 1.00 32.52 H new ATOM 0 HZ PHE A 133 14.032 7.178 -3.879 1.00 74.34 H new ATOM 2083 N ARG A 134 11.923 2.320 -5.939 1.00 12.25 N ATOM 2084 CA ARG A 134 12.581 2.219 -7.252 1.00 43.43 C ATOM 2085 C ARG A 134 13.737 3.242 -7.336 1.00 53.31 C ATOM 2086 O ARG A 134 13.640 4.286 -7.999 1.00 54.22 O ATOM 2087 CB ARG A 134 11.521 2.403 -8.375 1.00 33.25 C ATOM 2088 CG ARG A 134 12.005 2.030 -9.796 1.00 54.53 C ATOM 2089 CD ARG A 134 10.878 2.117 -10.841 1.00 71.10 C ATOM 2090 NE ARG A 134 10.301 3.470 -10.928 1.00 74.24 N ATOM 2091 CZ ARG A 134 9.113 3.763 -11.408 1.00 1.23 C ATOM 2092 NH1 ARG A 134 8.310 2.844 -11.848 1.00 65.15 N ATOM 2093 NH2 ARG A 134 8.740 4.992 -11.445 1.00 75.01 N ATOM 0 H ARG A 134 11.283 3.111 -5.861 1.00 12.25 H new ATOM 0 HA ARG A 134 13.024 1.232 -7.386 1.00 43.43 H new ATOM 0 HB2 ARG A 134 10.648 1.796 -8.133 1.00 33.25 H new ATOM 0 HB3 ARG A 134 11.195 3.443 -8.380 1.00 33.25 H new ATOM 0 HG2 ARG A 134 12.818 2.695 -10.086 1.00 54.53 H new ATOM 0 HG3 ARG A 134 12.410 1.018 -9.785 1.00 54.53 H new ATOM 0 HD2 ARG A 134 11.267 1.827 -11.817 1.00 71.10 H new ATOM 0 HD3 ARG A 134 10.093 1.405 -10.586 1.00 71.10 H new ATOM 0 HE ARG A 134 10.871 4.244 -10.587 1.00 74.24 H new ATOM 0 HH11 ARG A 134 8.595 1.865 -11.827 1.00 65.15 H new ATOM 0 HH12 ARG A 134 7.394 3.101 -12.215 1.00 65.15 H new ATOM 0 HH21 ARG A 134 9.363 5.724 -11.105 1.00 75.01 H new ATOM 0 HH22 ARG A 134 7.821 5.235 -11.815 1.00 75.01 H new ATOM 2107 N GLY A 135 14.817 2.937 -6.590 1.00 52.52 N ATOM 2108 CA GLY A 135 16.016 3.783 -6.551 1.00 43.50 C ATOM 2109 C GLY A 135 17.204 3.125 -5.840 1.00 71.53 C ATOM 2110 O GLY A 135 17.951 3.797 -5.122 1.00 31.13 O ATOM 0 H GLY A 135 14.879 2.104 -6.004 1.00 52.52 H new ATOM 0 HA2 GLY A 135 16.307 4.035 -7.571 1.00 43.50 H new ATOM 0 HA3 GLY A 135 15.774 4.719 -6.048 1.00 43.50 H new ATOM 2114 N LEU A 136 17.376 1.797 -6.035 1.00 1.23 N ATOM 2115 CA LEU A 136 18.485 1.010 -5.429 1.00 31.32 C ATOM 2116 C LEU A 136 19.248 0.233 -6.530 1.00 64.12 C ATOM 2117 O LEU A 136 18.712 -0.732 -7.092 1.00 23.11 O ATOM 2118 CB LEU A 136 17.971 -0.011 -4.358 1.00 45.01 C ATOM 2119 CG LEU A 136 17.187 0.556 -3.120 1.00 30.21 C ATOM 2120 CD1 LEU A 136 15.721 0.887 -3.468 1.00 13.53 C ATOM 2121 CD2 LEU A 136 17.256 -0.410 -1.910 1.00 12.32 C ATOM 0 H LEU A 136 16.752 1.237 -6.616 1.00 1.23 H new ATOM 0 HA LEU A 136 19.146 1.722 -4.934 1.00 31.32 H new ATOM 0 HB2 LEU A 136 17.325 -0.729 -4.863 1.00 45.01 H new ATOM 0 HB3 LEU A 136 18.832 -0.565 -3.984 1.00 45.01 H new ATOM 0 HG LEU A 136 17.679 1.487 -2.838 1.00 30.21 H new ATOM 0 HD11 LEU A 136 15.216 1.276 -2.584 1.00 13.53 H new ATOM 0 HD12 LEU A 136 15.695 1.636 -4.260 1.00 13.53 H new ATOM 0 HD13 LEU A 136 15.215 -0.017 -3.807 1.00 13.53 H new ATOM 0 HD21 LEU A 136 16.703 0.015 -1.073 1.00 12.32 H new ATOM 0 HD22 LEU A 136 16.817 -1.369 -2.185 1.00 12.32 H new ATOM 0 HD23 LEU A 136 18.297 -0.557 -1.620 1.00 12.32 H new ATOM 2133 N GLU A 137 20.497 0.652 -6.822 1.00 52.01 N ATOM 2134 CA GLU A 137 21.342 0.009 -7.862 1.00 11.15 C ATOM 2135 C GLU A 137 21.778 -1.435 -7.448 1.00 34.43 C ATOM 2136 O GLU A 137 22.788 -1.644 -6.763 1.00 50.44 O ATOM 2137 CB GLU A 137 22.567 0.916 -8.216 1.00 32.24 C ATOM 2138 CG GLU A 137 23.460 1.340 -7.024 1.00 41.53 C ATOM 2139 CD GLU A 137 24.733 2.099 -7.447 1.00 73.41 C ATOM 2140 OE1 GLU A 137 25.733 1.441 -7.819 1.00 21.43 O ATOM 2141 OE2 GLU A 137 24.739 3.349 -7.413 1.00 51.42 O ATOM 0 H GLU A 137 20.949 1.437 -6.352 1.00 52.01 H new ATOM 0 HA GLU A 137 20.740 -0.100 -8.764 1.00 11.15 H new ATOM 0 HB2 GLU A 137 23.188 0.389 -8.941 1.00 32.24 H new ATOM 0 HB3 GLU A 137 22.198 1.816 -8.707 1.00 32.24 H new ATOM 0 HG2 GLU A 137 22.878 1.970 -6.351 1.00 41.53 H new ATOM 0 HG3 GLU A 137 23.747 0.452 -6.461 1.00 41.53 H new ATOM 2148 N HIS A 138 20.969 -2.438 -7.840 1.00 72.14 N ATOM 2149 CA HIS A 138 21.237 -3.871 -7.556 1.00 22.22 C ATOM 2150 C HIS A 138 21.400 -4.677 -8.869 1.00 24.04 C ATOM 2151 O HIS A 138 20.425 -4.950 -9.573 1.00 4.24 O ATOM 2152 CB HIS A 138 20.115 -4.464 -6.662 1.00 12.11 C ATOM 2153 CG HIS A 138 20.120 -3.932 -5.249 1.00 63.13 C ATOM 2154 ND1 HIS A 138 18.978 -3.654 -4.533 1.00 2.44 N ATOM 2155 CD2 HIS A 138 21.151 -3.663 -4.410 1.00 64.33 C ATOM 2156 CE1 HIS A 138 19.303 -3.239 -3.327 1.00 12.34 C ATOM 2157 NE2 HIS A 138 20.611 -3.235 -3.226 1.00 10.22 N ATOM 0 H HIS A 138 20.108 -2.282 -8.364 1.00 72.14 H new ATOM 0 HA HIS A 138 22.178 -3.945 -7.010 1.00 22.22 H new ATOM 0 HB2 HIS A 138 19.148 -4.250 -7.118 1.00 12.11 H new ATOM 0 HB3 HIS A 138 20.221 -5.548 -6.633 1.00 12.11 H new ATOM 0 HD2 HIS A 138 22.202 -3.767 -4.634 1.00 64.33 H new ATOM 0 HE1 HIS A 138 18.610 -2.950 -2.551 1.00 12.34 H new ATOM 0 HE2 HIS A 138 21.140 -2.958 -2.399 1.00 10.22 H new ATOM 2166 N HIS A 139 22.657 -5.066 -9.158 1.00 30.13 N ATOM 2167 CA HIS A 139 23.047 -5.776 -10.401 1.00 45.41 C ATOM 2168 C HIS A 139 22.479 -7.232 -10.478 1.00 63.32 C ATOM 2169 O HIS A 139 22.347 -7.777 -11.583 1.00 75.32 O ATOM 2170 CB HIS A 139 24.600 -5.775 -10.517 1.00 60.34 C ATOM 2171 CG HIS A 139 25.149 -6.435 -11.763 1.00 43.43 C ATOM 2172 ND1 HIS A 139 25.728 -7.685 -11.754 1.00 55.24 N ATOM 2173 CD2 HIS A 139 25.214 -6.014 -13.052 1.00 30.11 C ATOM 2174 CE1 HIS A 139 26.117 -8.007 -12.967 1.00 11.33 C ATOM 2175 NE2 HIS A 139 25.817 -7.013 -13.774 1.00 11.25 N ATOM 0 H HIS A 139 23.443 -4.896 -8.530 1.00 30.13 H new ATOM 0 HA HIS A 139 22.608 -5.243 -11.245 1.00 45.41 H new ATOM 0 HB2 HIS A 139 24.951 -4.743 -10.486 1.00 60.34 H new ATOM 0 HB3 HIS A 139 25.015 -6.279 -9.644 1.00 60.34 H new ATOM 0 HD2 HIS A 139 24.858 -5.070 -13.437 1.00 30.11 H new ATOM 0 HE1 HIS A 139 26.600 -8.930 -13.252 1.00 11.33 H new ATOM 0 HE2 HIS A 139 26.003 -6.989 -14.777 1.00 11.25 H new ATOM 2184 N HIS A 140 22.144 -7.841 -9.307 1.00 71.01 N ATOM 2185 CA HIS A 140 21.566 -9.214 -9.235 1.00 42.53 C ATOM 2186 C HIS A 140 20.263 -9.348 -10.069 1.00 53.34 C ATOM 2187 O HIS A 140 20.241 -10.062 -11.076 1.00 0.52 O ATOM 2188 CB HIS A 140 21.299 -9.647 -7.754 1.00 34.14 C ATOM 2189 CG HIS A 140 22.522 -10.102 -6.997 1.00 15.31 C ATOM 2190 ND1 HIS A 140 23.433 -10.994 -7.519 1.00 62.20 N ATOM 2191 CD2 HIS A 140 22.972 -9.809 -5.750 1.00 33.21 C ATOM 2192 CE1 HIS A 140 24.380 -11.231 -6.639 1.00 2.15 C ATOM 2193 NE2 HIS A 140 24.128 -10.526 -5.560 1.00 72.44 N ATOM 0 H HIS A 140 22.265 -7.400 -8.395 1.00 71.01 H new ATOM 0 HA HIS A 140 22.311 -9.882 -9.667 1.00 42.53 H new ATOM 0 HB2 HIS A 140 20.850 -8.809 -7.221 1.00 34.14 H new ATOM 0 HB3 HIS A 140 20.567 -10.455 -7.753 1.00 34.14 H new ATOM 0 HD2 HIS A 140 22.509 -9.139 -5.041 1.00 33.21 H new ATOM 0 HE1 HIS A 140 25.222 -11.893 -6.779 1.00 2.15 H new ATOM 0 HE2 HIS A 140 24.700 -10.513 -4.715 1.00 72.44 H new ATOM 2202 N HIS A 141 19.188 -8.648 -9.652 1.00 50.31 N ATOM 2203 CA HIS A 141 17.867 -8.717 -10.331 1.00 43.24 C ATOM 2204 C HIS A 141 17.152 -7.351 -10.357 1.00 2.03 C ATOM 2205 O HIS A 141 17.187 -6.588 -9.387 1.00 2.54 O ATOM 2206 CB HIS A 141 16.928 -9.759 -9.655 1.00 73.52 C ATOM 2207 CG HIS A 141 17.338 -11.197 -9.836 1.00 52.23 C ATOM 2208 ND1 HIS A 141 17.680 -11.728 -11.059 1.00 43.34 N ATOM 2209 CD2 HIS A 141 17.443 -12.214 -8.949 1.00 1.42 C ATOM 2210 CE1 HIS A 141 17.970 -13.004 -10.918 1.00 23.30 C ATOM 2211 NE2 HIS A 141 17.835 -13.324 -9.652 1.00 1.42 N ATOM 0 H HIS A 141 19.204 -8.024 -8.845 1.00 50.31 H new ATOM 0 HA HIS A 141 18.076 -9.025 -11.355 1.00 43.24 H new ATOM 0 HB2 HIS A 141 16.878 -9.543 -8.588 1.00 73.52 H new ATOM 0 HB3 HIS A 141 15.921 -9.631 -10.053 1.00 73.52 H new ATOM 0 HD2 HIS A 141 17.254 -12.161 -7.887 1.00 1.42 H new ATOM 0 HE1 HIS A 141 18.269 -13.675 -11.710 1.00 23.30 H new ATOM 0 HE2 HIS A 141 17.996 -14.250 -9.255 1.00 1.42 H new ATOM 2220 N HIS A 142 16.511 -7.070 -11.502 1.00 12.54 N ATOM 2221 CA HIS A 142 15.503 -5.999 -11.657 1.00 61.14 C ATOM 2222 C HIS A 142 14.178 -6.586 -12.227 1.00 44.54 C ATOM 2223 O HIS A 142 13.206 -5.857 -12.444 1.00 70.53 O ATOM 2224 CB HIS A 142 16.052 -4.864 -12.568 1.00 23.43 C ATOM 2225 CG HIS A 142 17.205 -4.088 -11.966 1.00 2.54 C ATOM 2226 ND1 HIS A 142 18.434 -3.953 -12.576 1.00 41.22 N ATOM 2227 CD2 HIS A 142 17.291 -3.378 -10.813 1.00 43.14 C ATOM 2228 CE1 HIS A 142 19.217 -3.200 -11.832 1.00 31.21 C ATOM 2229 NE2 HIS A 142 18.552 -2.836 -10.759 1.00 1.50 N ATOM 0 H HIS A 142 16.679 -7.588 -12.365 1.00 12.54 H new ATOM 0 HA HIS A 142 15.291 -5.570 -10.678 1.00 61.14 H new ATOM 0 HB2 HIS A 142 16.375 -5.297 -13.514 1.00 23.43 H new ATOM 0 HB3 HIS A 142 15.242 -4.171 -12.795 1.00 23.43 H new ATOM 0 HD2 HIS A 142 16.512 -3.261 -10.074 1.00 43.14 H new ATOM 0 HE1 HIS A 142 20.236 -2.927 -12.065 1.00 31.21 H new ATOM 0 HE2 HIS A 142 18.913 -2.247 -10.008 1.00 1.50 H new ATOM 2238 N HIS A 143 14.162 -7.922 -12.462 1.00 71.53 N ATOM 2239 CA HIS A 143 12.971 -8.663 -12.940 1.00 73.03 C ATOM 2240 C HIS A 143 11.974 -8.898 -11.790 1.00 3.21 C ATOM 2241 O HIS A 143 12.317 -9.467 -10.746 1.00 15.14 O ATOM 2242 CB HIS A 143 13.408 -10.017 -13.563 1.00 71.11 C ATOM 2243 CG HIS A 143 12.272 -10.866 -14.091 1.00 22.32 C ATOM 2244 ND1 HIS A 143 11.546 -11.728 -13.298 1.00 41.03 N ATOM 2245 CD2 HIS A 143 11.740 -10.975 -15.331 1.00 30.31 C ATOM 2246 CE1 HIS A 143 10.621 -12.323 -14.020 1.00 70.33 C ATOM 2247 NE2 HIS A 143 10.718 -11.883 -15.254 1.00 21.34 N ATOM 0 H HIS A 143 14.979 -8.517 -12.324 1.00 71.53 H new ATOM 0 HA HIS A 143 12.472 -8.065 -13.702 1.00 73.03 H new ATOM 0 HB2 HIS A 143 14.104 -9.819 -14.378 1.00 71.11 H new ATOM 0 HB3 HIS A 143 13.952 -10.589 -12.811 1.00 71.11 H new ATOM 0 HD2 HIS A 143 12.061 -10.445 -16.215 1.00 30.31 H new ATOM 0 HE1 HIS A 143 9.906 -13.048 -13.660 1.00 70.33 H new ATOM 0 HE2 HIS A 143 10.125 -12.172 -16.032 1.00 21.34 H new TER 2256 HIS A 143