USER MOD reduce.3.24.130724 H: found=0, std=0, add=970, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 968 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 70 HIS : no HD1:sc= -0.737 K(o=-3.5,f=-1.8) USER MOD Set 1.2: A 110 GLN : amide:sc= -2.76 K(o=-3.5,f=-2.3) USER MOD Set 2.1: A 75 ASN : amide:sc= -0.397 K(o=-3.4,f=-2.5) USER MOD Set 2.2: A 90 MET CE :methyl 177:sc= -2.97! (180deg=-2.41) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 CYS SG : rot 31:sc= -1.14 USER MOD Single : A 14 TYR OH : rot 164:sc= -1.86! USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0.125 K(o=0.13,f=-3.8!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.351 X(o=-0.35,f=-0.33) USER MOD Single : A 33 LYS NZ :NH3+ -129:sc= 0.123 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -161:sc= -0.0443 (180deg=-0.311) USER MOD Single : A 44 ASN : amide:sc= -0.153 K(o=-0.15,f=-1.6) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 53 HIS : no HD1:sc= -4.38! C(o=-4.4!,f=-3.8!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.734 X(o=-0.73,f=-0.78) USER MOD Single : A 57 THR OG1 : rot 180:sc=-0.00439 USER MOD Single : A 58 ASN : amide:sc= -6.87! C(o=-6.9!,f=-11!) USER MOD Single : A 59 MET CE :methyl 144:sc= -0.801 (180deg=-2.18) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= -0.191 USER MOD Single : A 63 LYS NZ :NH3+ -122:sc= -0.969 (180deg=-2.19!) USER MOD Single : A 64 MET CE :methyl -145:sc= -0.0146 (180deg=-1.5!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 61:sc= -3.7! USER MOD Single : A 72 TYR OH : rot -57:sc= -0.0908 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= -3.41 K(o=-3.4,f=-4!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot -75:sc= 1.28 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 HIS : no HD1:sc= -0.0654 X(o=-0.065,f=-0.15) USER MOD Single : A 109 SER OG : rot -65:sc= 0.515 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 44:sc= 0.586 USER MOD Single : A 117 SER OG : rot -55:sc= 0.146 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -26.589 4.709 19.171 1.00 0.00 N ATOM 2 CA GLY A 1 -27.688 5.320 18.446 1.00 0.00 C ATOM 3 C GLY A 1 -27.436 6.783 18.138 1.00 0.00 C ATOM 4 O GLY A 1 -28.085 7.663 18.703 1.00 0.00 O ATOM 0 H1 GLY A 1 -26.809 3.710 19.358 1.00 0.00 H new ATOM 0 H2 GLY A 1 -25.720 4.772 18.602 1.00 0.00 H new ATOM 0 H3 GLY A 1 -26.449 5.207 20.073 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -27.850 4.778 17.514 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -28.602 5.227 19.032 1.00 0.00 H new ATOM 8 N SER A 2 -26.490 7.043 17.242 1.00 0.00 N ATOM 9 CA SER A 2 -26.150 8.410 16.863 1.00 0.00 C ATOM 10 C SER A 2 -26.459 8.659 15.390 1.00 0.00 C ATOM 11 O SER A 2 -25.957 7.957 14.512 1.00 0.00 O ATOM 12 CB SER A 2 -24.671 8.685 17.140 1.00 0.00 C ATOM 13 OG SER A 2 -24.344 8.405 18.490 1.00 0.00 O ATOM 0 H SER A 2 -25.945 6.325 16.765 1.00 0.00 H new ATOM 0 HA SER A 2 -26.757 9.089 17.462 1.00 0.00 H new ATOM 0 HB2 SER A 2 -24.055 8.075 16.479 1.00 0.00 H new ATOM 0 HB3 SER A 2 -24.444 9.727 16.916 1.00 0.00 H new ATOM 0 HG SER A 2 -23.393 8.587 18.641 1.00 0.00 H new ATOM 19 N SER A 3 -27.289 9.663 15.128 1.00 0.00 N ATOM 20 CA SER A 3 -27.669 10.003 13.761 1.00 0.00 C ATOM 21 C SER A 3 -26.512 10.673 13.027 1.00 0.00 C ATOM 22 O SER A 3 -26.087 11.771 13.384 1.00 0.00 O ATOM 23 CB SER A 3 -28.889 10.927 13.764 1.00 0.00 C ATOM 24 OG SER A 3 -30.076 10.202 14.035 1.00 0.00 O ATOM 0 H SER A 3 -27.711 10.255 15.843 1.00 0.00 H new ATOM 0 HA SER A 3 -27.922 9.080 13.239 1.00 0.00 H new ATOM 0 HB2 SER A 3 -28.756 11.707 14.513 1.00 0.00 H new ATOM 0 HB3 SER A 3 -28.975 11.424 12.798 1.00 0.00 H new ATOM 0 HG SER A 3 -30.841 10.814 14.033 1.00 0.00 H new ATOM 30 N GLY A 4 -26.005 10.002 11.996 1.00 0.00 N ATOM 31 CA GLY A 4 -24.902 10.546 11.227 1.00 0.00 C ATOM 32 C GLY A 4 -23.845 9.506 10.914 1.00 0.00 C ATOM 33 O GLY A 4 -23.914 8.376 11.396 1.00 0.00 O ATOM 0 H GLY A 4 -26.339 9.091 11.680 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -25.284 10.963 10.295 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -24.447 11.367 11.781 1.00 0.00 H new ATOM 37 N SER A 5 -22.863 9.888 10.102 1.00 0.00 N ATOM 38 CA SER A 5 -21.790 8.978 9.721 1.00 0.00 C ATOM 39 C SER A 5 -20.728 8.902 10.813 1.00 0.00 C ATOM 40 O SER A 5 -19.928 9.822 10.982 1.00 0.00 O ATOM 41 CB SER A 5 -21.153 9.430 8.405 1.00 0.00 C ATOM 42 OG SER A 5 -20.269 8.444 7.901 1.00 0.00 O ATOM 0 H SER A 5 -22.789 10.821 9.696 1.00 0.00 H new ATOM 0 HA SER A 5 -22.220 7.985 9.587 1.00 0.00 H new ATOM 0 HB2 SER A 5 -21.933 9.633 7.671 1.00 0.00 H new ATOM 0 HB3 SER A 5 -20.611 10.363 8.561 1.00 0.00 H new ATOM 0 HG SER A 5 -19.876 8.756 7.059 1.00 0.00 H new ATOM 48 N SER A 6 -20.727 7.798 11.553 1.00 0.00 N ATOM 49 CA SER A 6 -19.766 7.601 12.633 1.00 0.00 C ATOM 50 C SER A 6 -18.809 6.459 12.307 1.00 0.00 C ATOM 51 O SER A 6 -19.108 5.293 12.558 1.00 0.00 O ATOM 52 CB SER A 6 -20.495 7.312 13.946 1.00 0.00 C ATOM 53 OG SER A 6 -19.708 7.692 15.061 1.00 0.00 O ATOM 0 H SER A 6 -21.381 7.026 11.425 1.00 0.00 H new ATOM 0 HA SER A 6 -19.186 8.517 12.742 1.00 0.00 H new ATOM 0 HB2 SER A 6 -21.443 7.850 13.965 1.00 0.00 H new ATOM 0 HB3 SER A 6 -20.731 6.250 14.008 1.00 0.00 H new ATOM 0 HG SER A 6 -20.197 7.499 15.888 1.00 0.00 H new ATOM 59 N GLY A 7 -17.654 6.805 11.746 1.00 0.00 N ATOM 60 CA GLY A 7 -16.669 5.799 11.394 1.00 0.00 C ATOM 61 C GLY A 7 -15.254 6.232 11.723 1.00 0.00 C ATOM 62 O GLY A 7 -14.747 5.946 12.808 1.00 0.00 O ATOM 0 H GLY A 7 -17.383 7.764 11.529 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.895 4.873 11.923 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -16.741 5.582 10.328 1.00 0.00 H new ATOM 66 N CYS A 8 -14.616 6.922 10.785 1.00 0.00 N ATOM 67 CA CYS A 8 -13.249 7.394 10.979 1.00 0.00 C ATOM 68 C CYS A 8 -13.096 8.832 10.495 1.00 0.00 C ATOM 69 O CYS A 8 -13.453 9.157 9.362 1.00 0.00 O ATOM 70 CB CYS A 8 -12.265 6.487 10.241 1.00 0.00 C ATOM 71 SG CYS A 8 -12.532 6.407 8.454 1.00 0.00 S ATOM 0 H CYS A 8 -15.023 7.167 9.882 1.00 0.00 H new ATOM 0 HA CYS A 8 -13.029 7.364 12.046 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -11.251 6.839 10.431 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -12.336 5.481 10.654 1.00 0.00 H new ATOM 0 HG CYS A 8 -13.021 7.537 8.037 1.00 0.00 H new ATOM 77 N ARG A 9 -12.566 9.689 11.360 1.00 0.00 N ATOM 78 CA ARG A 9 -12.368 11.094 11.022 1.00 0.00 C ATOM 79 C ARG A 9 -10.929 11.350 10.585 1.00 0.00 C ATOM 80 O ARG A 9 -10.680 11.809 9.469 1.00 0.00 O ATOM 81 CB ARG A 9 -12.716 11.982 12.217 1.00 0.00 C ATOM 82 CG ARG A 9 -14.155 11.837 12.686 1.00 0.00 C ATOM 83 CD ARG A 9 -14.671 13.126 13.306 1.00 0.00 C ATOM 84 NE ARG A 9 -14.680 14.229 12.348 1.00 0.00 N ATOM 85 CZ ARG A 9 -15.414 15.327 12.498 1.00 0.00 C ATOM 86 NH1 ARG A 9 -16.192 15.468 13.561 1.00 0.00 N ATOM 87 NH2 ARG A 9 -15.368 16.286 11.583 1.00 0.00 N ATOM 0 H ARG A 9 -12.265 9.436 12.301 1.00 0.00 H new ATOM 0 HA ARG A 9 -13.030 11.339 10.192 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -12.048 11.742 13.044 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -12.533 13.023 11.951 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -14.787 11.559 11.843 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -14.222 11.029 13.415 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -15.680 12.967 13.685 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -14.048 13.392 14.160 1.00 0.00 H new ATOM 0 HE ARG A 9 -14.091 14.152 11.519 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -16.229 14.733 14.267 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -16.754 16.312 13.673 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -14.769 16.181 10.764 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -15.931 17.128 11.698 1.00 0.00 H new ATOM 101 N LEU A 10 -9.986 11.053 11.471 1.00 0.00 N ATOM 102 CA LEU A 10 -8.570 11.252 11.178 1.00 0.00 C ATOM 103 C LEU A 10 -8.105 10.308 10.074 1.00 0.00 C ATOM 104 O LEU A 10 -8.878 9.487 9.578 1.00 0.00 O ATOM 105 CB LEU A 10 -7.732 11.034 12.439 1.00 0.00 C ATOM 106 CG LEU A 10 -7.704 12.193 13.435 1.00 0.00 C ATOM 107 CD1 LEU A 10 -9.113 12.541 13.890 1.00 0.00 C ATOM 108 CD2 LEU A 10 -6.826 11.849 14.629 1.00 0.00 C ATOM 0 H LEU A 10 -10.175 10.673 12.399 1.00 0.00 H new ATOM 0 HA LEU A 10 -8.436 12.278 10.834 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.108 10.149 12.952 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.708 10.816 12.137 1.00 0.00 H new ATOM 0 HG LEU A 10 -7.280 13.065 12.936 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -9.073 13.368 14.599 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -9.713 12.831 13.027 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -9.565 11.673 14.371 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.818 12.686 15.328 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.220 10.964 15.128 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.810 11.651 14.288 1.00 0.00 H new ATOM 120 N LEU A 11 -6.837 10.428 9.696 1.00 0.00 N ATOM 121 CA LEU A 11 -6.267 9.583 8.652 1.00 0.00 C ATOM 122 C LEU A 11 -5.592 8.355 9.254 1.00 0.00 C ATOM 123 O LEU A 11 -6.016 7.223 9.019 1.00 0.00 O ATOM 124 CB LEU A 11 -5.259 10.377 7.820 1.00 0.00 C ATOM 125 CG LEU A 11 -4.161 9.561 7.137 1.00 0.00 C ATOM 126 CD1 LEU A 11 -4.718 8.824 5.928 1.00 0.00 C ATOM 127 CD2 LEU A 11 -3.003 10.460 6.729 1.00 0.00 C ATOM 0 H LEU A 11 -6.184 11.102 10.096 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.079 9.248 8.006 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.805 10.928 7.054 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.786 11.115 8.467 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.788 8.823 7.847 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.923 8.249 5.454 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.513 8.150 6.247 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.118 9.545 5.215 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.231 9.862 6.245 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.360 11.222 6.036 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.587 10.941 7.614 1.00 0.00 H new ATOM 139 N TRP A 12 -4.540 8.586 10.031 1.00 0.00 N ATOM 140 CA TRP A 12 -3.807 7.498 10.669 1.00 0.00 C ATOM 141 C TRP A 12 -4.746 6.360 11.051 1.00 0.00 C ATOM 142 O TRP A 12 -4.401 5.186 10.914 1.00 0.00 O ATOM 143 CB TRP A 12 -3.074 8.009 11.910 1.00 0.00 C ATOM 144 CG TRP A 12 -3.943 8.072 13.130 1.00 0.00 C ATOM 145 CD1 TRP A 12 -4.857 9.039 13.436 1.00 0.00 C ATOM 146 CD2 TRP A 12 -3.977 7.129 14.207 1.00 0.00 C ATOM 147 NE1 TRP A 12 -5.457 8.755 14.639 1.00 0.00 N ATOM 148 CE2 TRP A 12 -4.936 7.588 15.131 1.00 0.00 C ATOM 149 CE3 TRP A 12 -3.293 5.942 14.480 1.00 0.00 C ATOM 150 CZ2 TRP A 12 -5.224 6.900 16.307 1.00 0.00 C ATOM 151 CZ3 TRP A 12 -3.580 5.260 15.647 1.00 0.00 C ATOM 152 CH2 TRP A 12 -4.540 5.740 16.549 1.00 0.00 C ATOM 0 H TRP A 12 -4.175 9.517 10.235 1.00 0.00 H new ATOM 0 HA TRP A 12 -3.077 7.117 9.955 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -2.222 7.360 12.113 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -2.676 9.003 11.705 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -5.076 9.900 12.823 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -6.174 9.321 15.092 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -2.553 5.564 13.791 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -5.962 7.269 17.004 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -3.056 4.342 15.868 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -4.743 5.184 17.452 1.00 0.00 H new ATOM 163 N ASP A 13 -5.934 6.713 11.530 1.00 0.00 N ATOM 164 CA ASP A 13 -6.923 5.720 11.931 1.00 0.00 C ATOM 165 C ASP A 13 -7.684 5.191 10.719 1.00 0.00 C ATOM 166 O ASP A 13 -7.877 3.984 10.572 1.00 0.00 O ATOM 167 CB ASP A 13 -7.902 6.322 12.940 1.00 0.00 C ATOM 168 CG ASP A 13 -8.775 7.400 12.327 1.00 0.00 C ATOM 169 OD1 ASP A 13 -8.220 8.335 11.713 1.00 0.00 O ATOM 170 OD2 ASP A 13 -10.014 7.308 12.462 1.00 0.00 O ATOM 0 H ASP A 13 -6.235 7.680 11.650 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.397 4.888 12.399 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -8.535 5.532 13.344 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -7.344 6.742 13.777 1.00 0.00 H new ATOM 175 N TYR A 14 -8.115 6.103 9.854 1.00 0.00 N ATOM 176 CA TYR A 14 -8.858 5.728 8.656 1.00 0.00 C ATOM 177 C TYR A 14 -8.289 4.455 8.037 1.00 0.00 C ATOM 178 O TYR A 14 -8.995 3.712 7.356 1.00 0.00 O ATOM 179 CB TYR A 14 -8.823 6.865 7.633 1.00 0.00 C ATOM 180 CG TYR A 14 -8.957 6.396 6.202 1.00 0.00 C ATOM 181 CD1 TYR A 14 -10.208 6.236 5.617 1.00 0.00 C ATOM 182 CD2 TYR A 14 -7.834 6.113 5.435 1.00 0.00 C ATOM 183 CE1 TYR A 14 -10.335 5.807 4.310 1.00 0.00 C ATOM 184 CE2 TYR A 14 -7.952 5.685 4.127 1.00 0.00 C ATOM 185 CZ TYR A 14 -9.205 5.533 3.569 1.00 0.00 C ATOM 186 OH TYR A 14 -9.327 5.106 2.267 1.00 0.00 O ATOM 0 H TYR A 14 -7.963 7.106 9.960 1.00 0.00 H new ATOM 0 HA TYR A 14 -9.892 5.539 8.945 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -9.628 7.566 7.854 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -7.886 7.411 7.741 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -11.095 6.451 6.194 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -6.852 6.230 5.869 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -11.314 5.687 3.871 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -7.068 5.470 3.544 1.00 0.00 H new ATOM 0 HH TYR A 14 -8.466 5.202 1.809 1.00 0.00 H new ATOM 196 N VAL A 15 -7.005 4.210 8.280 1.00 0.00 N ATOM 197 CA VAL A 15 -6.339 3.026 7.750 1.00 0.00 C ATOM 198 C VAL A 15 -7.112 1.759 8.097 1.00 0.00 C ATOM 199 O VAL A 15 -7.688 1.111 7.223 1.00 0.00 O ATOM 200 CB VAL A 15 -4.902 2.901 8.289 1.00 0.00 C ATOM 201 CG1 VAL A 15 -4.251 1.623 7.784 1.00 0.00 C ATOM 202 CG2 VAL A 15 -4.079 4.119 7.896 1.00 0.00 C ATOM 0 H VAL A 15 -6.405 4.816 8.840 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.304 3.142 6.667 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.943 2.853 9.377 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.236 1.552 8.175 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.830 0.763 8.119 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.219 1.637 6.695 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -3.066 4.015 8.285 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -4.044 4.199 6.810 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.536 5.017 8.312 1.00 0.00 H new ATOM 212 N TYR A 16 -7.121 1.410 9.379 1.00 0.00 N ATOM 213 CA TYR A 16 -7.822 0.219 9.843 1.00 0.00 C ATOM 214 C TYR A 16 -9.104 -0.004 9.046 1.00 0.00 C ATOM 215 O TYR A 16 -9.271 -1.035 8.396 1.00 0.00 O ATOM 216 CB TYR A 16 -8.148 0.341 11.332 1.00 0.00 C ATOM 217 CG TYR A 16 -8.191 -0.987 12.053 1.00 0.00 C ATOM 218 CD1 TYR A 16 -7.036 -1.737 12.239 1.00 0.00 C ATOM 219 CD2 TYR A 16 -9.387 -1.493 12.548 1.00 0.00 C ATOM 220 CE1 TYR A 16 -7.071 -2.951 12.897 1.00 0.00 C ATOM 221 CE2 TYR A 16 -9.431 -2.706 13.208 1.00 0.00 C ATOM 222 CZ TYR A 16 -8.270 -3.431 13.380 1.00 0.00 C ATOM 223 OH TYR A 16 -8.310 -4.641 14.035 1.00 0.00 O ATOM 0 H TYR A 16 -6.650 1.936 10.116 1.00 0.00 H new ATOM 0 HA TYR A 16 -7.167 -0.639 9.691 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -7.403 0.979 11.807 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -9.112 0.838 11.445 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -6.095 -1.364 11.863 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -10.298 -0.928 12.414 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -6.164 -3.521 13.032 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -10.369 -3.084 13.587 1.00 0.00 H new ATOM 0 HH TYR A 16 -9.230 -4.833 14.312 1.00 0.00 H new ATOM 233 N GLN A 17 -10.004 0.972 9.102 1.00 0.00 N ATOM 234 CA GLN A 17 -11.272 0.883 8.386 1.00 0.00 C ATOM 235 C GLN A 17 -11.095 0.160 7.055 1.00 0.00 C ATOM 236 O GLN A 17 -11.912 -0.683 6.681 1.00 0.00 O ATOM 237 CB GLN A 17 -11.846 2.281 8.149 1.00 0.00 C ATOM 238 CG GLN A 17 -12.609 2.836 9.341 1.00 0.00 C ATOM 239 CD GLN A 17 -11.791 2.815 10.617 1.00 0.00 C ATOM 240 OE1 GLN A 17 -10.621 3.197 10.625 1.00 0.00 O ATOM 241 NE2 GLN A 17 -12.405 2.369 11.707 1.00 0.00 N ATOM 0 H GLN A 17 -9.879 1.833 9.635 1.00 0.00 H new ATOM 0 HA GLN A 17 -11.969 0.311 8.999 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -11.032 2.962 7.901 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -12.510 2.250 7.285 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -12.915 3.860 9.127 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -13.519 2.255 9.488 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -13.376 2.062 11.656 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -11.905 2.334 12.595 1.00 0.00 H new ATOM 250 N LEU A 18 -10.025 0.494 6.344 1.00 0.00 N ATOM 251 CA LEU A 18 -9.741 -0.124 5.053 1.00 0.00 C ATOM 252 C LEU A 18 -9.381 -1.597 5.221 1.00 0.00 C ATOM 253 O LEU A 18 -10.083 -2.479 4.726 1.00 0.00 O ATOM 254 CB LEU A 18 -8.599 0.615 4.352 1.00 0.00 C ATOM 255 CG LEU A 18 -8.840 2.096 4.057 1.00 0.00 C ATOM 256 CD1 LEU A 18 -7.604 2.722 3.429 1.00 0.00 C ATOM 257 CD2 LEU A 18 -10.048 2.270 3.149 1.00 0.00 C ATOM 0 H LEU A 18 -9.339 1.189 6.639 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.640 -0.057 4.440 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -7.704 0.529 4.969 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.388 0.107 3.411 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.043 2.606 4.999 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.793 3.776 3.226 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.761 2.630 4.114 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.370 2.209 2.496 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.204 3.330 2.950 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.875 1.746 2.209 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -10.932 1.858 3.636 1.00 0.00 H new ATOM 269 N LEU A 19 -8.284 -1.855 5.925 1.00 0.00 N ATOM 270 CA LEU A 19 -7.832 -3.222 6.162 1.00 0.00 C ATOM 271 C LEU A 19 -9.017 -4.159 6.371 1.00 0.00 C ATOM 272 O LEU A 19 -9.122 -5.198 5.720 1.00 0.00 O ATOM 273 CB LEU A 19 -6.907 -3.270 7.379 1.00 0.00 C ATOM 274 CG LEU A 19 -5.421 -3.040 7.103 1.00 0.00 C ATOM 275 CD1 LEU A 19 -4.981 -3.812 5.869 1.00 0.00 C ATOM 276 CD2 LEU A 19 -5.134 -1.555 6.935 1.00 0.00 C ATOM 0 H LEU A 19 -7.692 -1.137 6.341 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.281 -3.554 5.282 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -7.243 -2.520 8.095 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.021 -4.242 7.858 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.852 -3.406 7.957 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.921 -3.636 5.689 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.150 -4.877 6.027 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.556 -3.477 5.006 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.072 -1.410 6.739 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.714 -1.165 6.099 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.411 -1.026 7.847 1.00 0.00 H new ATOM 288 N SER A 20 -9.907 -3.784 7.284 1.00 0.00 N ATOM 289 CA SER A 20 -11.085 -4.592 7.581 1.00 0.00 C ATOM 290 C SER A 20 -11.620 -5.256 6.316 1.00 0.00 C ATOM 291 O SER A 20 -11.610 -6.481 6.193 1.00 0.00 O ATOM 292 CB SER A 20 -12.175 -3.728 8.218 1.00 0.00 C ATOM 293 OG SER A 20 -13.333 -4.494 8.499 1.00 0.00 O ATOM 0 H SER A 20 -9.835 -2.926 7.831 1.00 0.00 H new ATOM 0 HA SER A 20 -10.793 -5.372 8.284 1.00 0.00 H new ATOM 0 HB2 SER A 20 -11.798 -3.282 9.138 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.431 -2.908 7.548 1.00 0.00 H new ATOM 0 HG SER A 20 -14.014 -3.920 8.907 1.00 0.00 H new ATOM 299 N ASP A 21 -12.088 -4.439 5.379 1.00 0.00 N ATOM 300 CA ASP A 21 -12.628 -4.946 4.122 1.00 0.00 C ATOM 301 C ASP A 21 -11.601 -5.812 3.400 1.00 0.00 C ATOM 302 O ASP A 21 -10.397 -5.680 3.622 1.00 0.00 O ATOM 303 CB ASP A 21 -13.058 -3.786 3.223 1.00 0.00 C ATOM 304 CG ASP A 21 -14.274 -3.057 3.760 1.00 0.00 C ATOM 305 OD1 ASP A 21 -14.517 -3.130 4.983 1.00 0.00 O ATOM 306 OD2 ASP A 21 -14.982 -2.413 2.958 1.00 0.00 O ATOM 0 H ASP A 21 -12.105 -3.423 5.466 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.499 -5.561 4.350 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -12.231 -3.083 3.122 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -13.277 -4.166 2.225 1.00 0.00 H new ATOM 311 N SER A 22 -12.085 -6.699 2.536 1.00 0.00 N ATOM 312 CA SER A 22 -11.209 -7.590 1.785 1.00 0.00 C ATOM 313 C SER A 22 -11.120 -7.160 0.324 1.00 0.00 C ATOM 314 O SER A 22 -10.270 -7.641 -0.426 1.00 0.00 O ATOM 315 CB SER A 22 -11.716 -9.031 1.873 1.00 0.00 C ATOM 316 OG SER A 22 -13.030 -9.142 1.356 1.00 0.00 O ATOM 0 H SER A 22 -13.079 -6.819 2.339 1.00 0.00 H new ATOM 0 HA SER A 22 -10.213 -7.534 2.224 1.00 0.00 H new ATOM 0 HB2 SER A 22 -11.047 -9.690 1.319 1.00 0.00 H new ATOM 0 HB3 SER A 22 -11.701 -9.362 2.911 1.00 0.00 H new ATOM 0 HG SER A 22 -13.330 -10.073 1.422 1.00 0.00 H new ATOM 322 N ARG A 23 -12.003 -6.250 -0.074 1.00 0.00 N ATOM 323 CA ARG A 23 -12.026 -5.755 -1.445 1.00 0.00 C ATOM 324 C ARG A 23 -11.074 -4.574 -1.612 1.00 0.00 C ATOM 325 O ARG A 23 -10.992 -3.976 -2.685 1.00 0.00 O ATOM 326 CB ARG A 23 -13.445 -5.338 -1.836 1.00 0.00 C ATOM 327 CG ARG A 23 -14.433 -6.493 -1.862 1.00 0.00 C ATOM 328 CD ARG A 23 -15.841 -6.029 -1.520 1.00 0.00 C ATOM 329 NE ARG A 23 -16.589 -5.628 -2.708 1.00 0.00 N ATOM 330 CZ ARG A 23 -17.916 -5.593 -2.764 1.00 0.00 C ATOM 331 NH1 ARG A 23 -18.636 -5.932 -1.704 1.00 0.00 N ATOM 332 NH2 ARG A 23 -18.524 -5.216 -3.881 1.00 0.00 N ATOM 0 H ARG A 23 -12.712 -5.840 0.534 1.00 0.00 H new ATOM 0 HA ARG A 23 -11.698 -6.561 -2.101 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -13.799 -4.583 -1.134 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -13.419 -4.871 -2.820 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -14.430 -6.954 -2.850 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -14.118 -7.258 -1.153 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -16.373 -6.832 -1.010 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -15.788 -5.191 -0.825 1.00 0.00 H new ATOM 0 HE ARG A 23 -16.064 -5.360 -3.541 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -18.171 -6.220 -0.843 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -19.655 -5.904 -1.749 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -17.973 -4.953 -4.698 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -19.543 -5.189 -3.923 1.00 0.00 H new ATOM 346 N TYR A 24 -10.356 -4.244 -0.544 1.00 0.00 N ATOM 347 CA TYR A 24 -9.411 -3.133 -0.572 1.00 0.00 C ATOM 348 C TYR A 24 -7.973 -3.640 -0.523 1.00 0.00 C ATOM 349 O TYR A 24 -7.030 -2.884 -0.753 1.00 0.00 O ATOM 350 CB TYR A 24 -9.671 -2.187 0.602 1.00 0.00 C ATOM 351 CG TYR A 24 -11.050 -1.567 0.586 1.00 0.00 C ATOM 352 CD1 TYR A 24 -12.190 -2.359 0.640 1.00 0.00 C ATOM 353 CD2 TYR A 24 -11.212 -0.189 0.516 1.00 0.00 C ATOM 354 CE1 TYR A 24 -13.452 -1.797 0.625 1.00 0.00 C ATOM 355 CE2 TYR A 24 -12.470 0.382 0.502 1.00 0.00 C ATOM 356 CZ TYR A 24 -13.587 -0.426 0.557 1.00 0.00 C ATOM 357 OH TYR A 24 -14.842 0.139 0.542 1.00 0.00 O ATOM 0 H TYR A 24 -10.410 -4.729 0.351 1.00 0.00 H new ATOM 0 HA TYR A 24 -9.554 -2.590 -1.506 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -9.539 -2.735 1.535 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -8.925 -1.393 0.590 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -12.088 -3.433 0.695 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -10.340 0.447 0.472 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -14.328 -2.428 0.666 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -12.578 1.455 0.448 1.00 0.00 H new ATOM 0 HH TYR A 24 -14.761 1.114 0.493 1.00 0.00 H new ATOM 367 N GLU A 25 -7.815 -4.925 -0.221 1.00 0.00 N ATOM 368 CA GLU A 25 -6.492 -5.533 -0.142 1.00 0.00 C ATOM 369 C GLU A 25 -5.586 -5.012 -1.253 1.00 0.00 C ATOM 370 O GLU A 25 -4.530 -4.440 -0.990 1.00 0.00 O ATOM 371 CB GLU A 25 -6.601 -7.057 -0.229 1.00 0.00 C ATOM 372 CG GLU A 25 -6.612 -7.746 1.125 1.00 0.00 C ATOM 373 CD GLU A 25 -7.669 -7.185 2.056 1.00 0.00 C ATOM 374 OE1 GLU A 25 -7.979 -5.980 1.944 1.00 0.00 O ATOM 375 OE2 GLU A 25 -8.186 -7.949 2.897 1.00 0.00 O ATOM 0 H GLU A 25 -8.586 -5.564 -0.027 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.052 -5.262 0.818 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.513 -7.317 -0.767 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -5.765 -7.439 -0.815 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -6.786 -8.813 0.984 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -5.632 -7.642 1.590 1.00 0.00 H new ATOM 382 N ASN A 26 -6.008 -5.217 -2.497 1.00 0.00 N ATOM 383 CA ASN A 26 -5.235 -4.769 -3.650 1.00 0.00 C ATOM 384 C ASN A 26 -4.654 -3.379 -3.409 1.00 0.00 C ATOM 385 O ASN A 26 -3.545 -3.074 -3.847 1.00 0.00 O ATOM 386 CB ASN A 26 -6.111 -4.758 -4.904 1.00 0.00 C ATOM 387 CG ASN A 26 -7.007 -5.978 -4.995 1.00 0.00 C ATOM 388 OD1 ASN A 26 -6.566 -7.057 -5.390 1.00 0.00 O ATOM 389 ND2 ASN A 26 -8.272 -5.811 -4.630 1.00 0.00 N ATOM 0 H ASN A 26 -6.880 -5.690 -2.732 1.00 0.00 H new ATOM 0 HA ASN A 26 -4.411 -5.467 -3.797 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.726 -3.858 -4.906 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.475 -4.711 -5.788 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -8.922 -6.596 -4.671 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -8.594 -4.898 -4.309 1.00 0.00 H new ATOM 396 N PHE A 27 -5.411 -2.541 -2.708 1.00 0.00 N ATOM 397 CA PHE A 27 -4.972 -1.183 -2.409 1.00 0.00 C ATOM 398 C PHE A 27 -4.135 -1.151 -1.133 1.00 0.00 C ATOM 399 O PHE A 27 -3.137 -0.434 -1.051 1.00 0.00 O ATOM 400 CB PHE A 27 -6.180 -0.255 -2.263 1.00 0.00 C ATOM 401 CG PHE A 27 -6.749 0.199 -3.577 1.00 0.00 C ATOM 402 CD1 PHE A 27 -5.923 0.702 -4.569 1.00 0.00 C ATOM 403 CD2 PHE A 27 -8.111 0.122 -3.820 1.00 0.00 C ATOM 404 CE1 PHE A 27 -6.443 1.119 -5.779 1.00 0.00 C ATOM 405 CE2 PHE A 27 -8.637 0.538 -5.028 1.00 0.00 C ATOM 406 CZ PHE A 27 -7.803 1.039 -6.009 1.00 0.00 C ATOM 0 H PHE A 27 -6.331 -2.778 -2.337 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.354 -0.836 -3.237 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -6.957 -0.769 -1.698 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -5.888 0.619 -1.681 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -4.859 0.769 -4.394 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -8.769 -0.267 -3.057 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -5.787 1.507 -6.544 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -9.700 0.472 -5.205 1.00 0.00 H new ATOM 0 HZ PHE A 27 -8.213 1.367 -6.953 1.00 0.00 H new ATOM 416 N ILE A 28 -4.549 -1.932 -0.142 1.00 0.00 N ATOM 417 CA ILE A 28 -3.837 -1.994 1.129 1.00 0.00 C ATOM 418 C ILE A 28 -4.206 -3.254 1.905 1.00 0.00 C ATOM 419 O ILE A 28 -5.375 -3.487 2.211 1.00 0.00 O ATOM 420 CB ILE A 28 -4.137 -0.762 2.003 1.00 0.00 C ATOM 421 CG1 ILE A 28 -3.398 -0.864 3.338 1.00 0.00 C ATOM 422 CG2 ILE A 28 -5.635 -0.625 2.229 1.00 0.00 C ATOM 423 CD1 ILE A 28 -3.481 0.395 4.173 1.00 0.00 C ATOM 0 H ILE A 28 -5.373 -2.531 -0.194 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.773 -2.013 0.894 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.785 0.129 1.482 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.809 -1.697 3.909 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -2.350 -1.095 3.147 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.831 0.250 2.848 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -6.139 -0.510 1.269 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -6.010 -1.517 2.732 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.935 0.250 5.105 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -3.043 1.227 3.621 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -4.525 0.616 4.395 1.00 0.00 H new ATOM 435 N ARG A 29 -3.200 -4.064 2.220 1.00 0.00 N ATOM 436 CA ARG A 29 -3.418 -5.300 2.961 1.00 0.00 C ATOM 437 C ARG A 29 -2.512 -5.366 4.187 1.00 0.00 C ATOM 438 O ARG A 29 -1.550 -4.606 4.302 1.00 0.00 O ATOM 439 CB ARG A 29 -3.164 -6.511 2.060 1.00 0.00 C ATOM 440 CG ARG A 29 -1.733 -6.604 1.555 1.00 0.00 C ATOM 441 CD ARG A 29 -1.643 -7.446 0.292 1.00 0.00 C ATOM 442 NE ARG A 29 -1.767 -8.873 0.575 1.00 0.00 N ATOM 443 CZ ARG A 29 -2.000 -9.790 -0.358 1.00 0.00 C ATOM 444 NH1 ARG A 29 -2.132 -9.431 -1.627 1.00 0.00 N ATOM 445 NH2 ARG A 29 -2.099 -11.070 -0.021 1.00 0.00 N ATOM 0 H ARG A 29 -2.226 -3.886 1.973 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.455 -5.316 3.296 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.406 -7.420 2.610 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.840 -6.466 1.206 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.351 -5.603 1.355 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -1.100 -7.038 2.329 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -2.428 -7.144 -0.401 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -0.691 -7.256 -0.203 1.00 0.00 H new ATOM 0 HE ARG A 29 -1.669 -9.183 1.542 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -2.055 -8.448 -1.890 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -2.311 -10.137 -2.341 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -1.996 -11.350 0.954 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -2.278 -11.774 -0.737 1.00 0.00 H new ATOM 459 N TRP A 30 -2.826 -6.279 5.099 1.00 0.00 N ATOM 460 CA TRP A 30 -2.040 -6.443 6.317 1.00 0.00 C ATOM 461 C TRP A 30 -0.663 -7.017 6.004 1.00 0.00 C ATOM 462 O TRP A 30 -0.549 -8.101 5.433 1.00 0.00 O ATOM 463 CB TRP A 30 -2.774 -7.355 7.303 1.00 0.00 C ATOM 464 CG TRP A 30 -3.727 -6.620 8.196 1.00 0.00 C ATOM 465 CD1 TRP A 30 -5.070 -6.834 8.314 1.00 0.00 C ATOM 466 CD2 TRP A 30 -3.408 -5.550 9.093 1.00 0.00 C ATOM 467 NE1 TRP A 30 -5.606 -5.963 9.232 1.00 0.00 N ATOM 468 CE2 TRP A 30 -4.607 -5.165 9.724 1.00 0.00 C ATOM 469 CE3 TRP A 30 -2.227 -4.882 9.426 1.00 0.00 C ATOM 470 CZ2 TRP A 30 -4.657 -4.142 10.667 1.00 0.00 C ATOM 471 CZ3 TRP A 30 -2.278 -3.866 10.362 1.00 0.00 C ATOM 472 CH2 TRP A 30 -3.485 -3.505 10.974 1.00 0.00 C ATOM 0 H TRP A 30 -3.618 -6.916 5.019 1.00 0.00 H new ATOM 0 HA TRP A 30 -1.909 -5.460 6.770 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -3.322 -8.114 6.745 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -2.041 -7.878 7.918 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -5.629 -7.578 7.766 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -6.588 -5.918 9.503 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -1.291 -5.154 8.961 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -5.587 -3.861 11.139 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -1.372 -3.342 10.626 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -3.491 -2.708 11.703 1.00 0.00 H new ATOM 483 N GLU A 31 0.379 -6.283 6.381 1.00 0.00 N ATOM 484 CA GLU A 31 1.749 -6.721 6.138 1.00 0.00 C ATOM 485 C GLU A 31 2.158 -7.803 7.133 1.00 0.00 C ATOM 486 O GLU A 31 2.480 -8.927 6.746 1.00 0.00 O ATOM 487 CB GLU A 31 2.711 -5.535 6.232 1.00 0.00 C ATOM 488 CG GLU A 31 3.870 -5.613 5.253 1.00 0.00 C ATOM 489 CD GLU A 31 4.791 -6.786 5.530 1.00 0.00 C ATOM 490 OE1 GLU A 31 4.394 -7.933 5.237 1.00 0.00 O ATOM 491 OE2 GLU A 31 5.907 -6.557 6.041 1.00 0.00 O ATOM 0 H GLU A 31 0.301 -5.383 6.855 1.00 0.00 H new ATOM 0 HA GLU A 31 1.797 -7.139 5.133 1.00 0.00 H new ATOM 0 HB2 GLU A 31 2.157 -4.613 6.053 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.106 -5.478 7.246 1.00 0.00 H new ATOM 0 HG2 GLU A 31 3.479 -5.695 4.239 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.443 -4.687 5.300 1.00 0.00 H new ATOM 498 N ASP A 32 2.144 -7.456 8.415 1.00 0.00 N ATOM 499 CA ASP A 32 2.514 -8.397 9.466 1.00 0.00 C ATOM 500 C ASP A 32 1.521 -8.336 10.623 1.00 0.00 C ATOM 501 O ASP A 32 1.745 -7.636 11.611 1.00 0.00 O ATOM 502 CB ASP A 32 3.926 -8.100 9.973 1.00 0.00 C ATOM 503 CG ASP A 32 4.989 -8.861 9.205 1.00 0.00 C ATOM 504 OD1 ASP A 32 4.658 -9.913 8.620 1.00 0.00 O ATOM 505 OD2 ASP A 32 6.152 -8.405 9.191 1.00 0.00 O ATOM 0 H ASP A 32 1.880 -6.530 8.752 1.00 0.00 H new ATOM 0 HA ASP A 32 2.493 -9.402 9.044 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.120 -7.030 9.893 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.991 -8.358 11.030 1.00 0.00 H new ATOM 510 N LYS A 33 0.423 -9.072 10.493 1.00 0.00 N ATOM 511 CA LYS A 33 -0.605 -9.103 11.527 1.00 0.00 C ATOM 512 C LYS A 33 0.020 -9.258 12.910 1.00 0.00 C ATOM 513 O LYS A 33 -0.597 -8.918 13.920 1.00 0.00 O ATOM 514 CB LYS A 33 -1.584 -10.250 11.267 1.00 0.00 C ATOM 515 CG LYS A 33 -2.772 -9.852 10.409 1.00 0.00 C ATOM 516 CD LYS A 33 -3.934 -9.364 11.258 1.00 0.00 C ATOM 517 CE LYS A 33 -3.780 -7.895 11.621 1.00 0.00 C ATOM 518 NZ LYS A 33 -4.996 -7.359 12.294 1.00 0.00 N ATOM 0 H LYS A 33 0.222 -9.656 9.681 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.146 -8.157 11.495 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.052 -11.067 10.780 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.947 -10.630 12.222 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -2.473 -9.067 9.714 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.091 -10.705 9.809 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.868 -9.510 10.716 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.997 -9.960 12.168 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -2.918 -7.771 12.277 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.580 -7.317 10.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -5.298 -6.484 11.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.760 -8.062 12.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -4.780 -7.156 13.291 1.00 0.00 H new ATOM 532 N GLU A 34 1.246 -9.770 12.948 1.00 0.00 N ATOM 533 CA GLU A 34 1.952 -9.968 14.208 1.00 0.00 C ATOM 534 C GLU A 34 2.245 -8.631 14.883 1.00 0.00 C ATOM 535 O GLU A 34 2.129 -8.501 16.102 1.00 0.00 O ATOM 536 CB GLU A 34 3.258 -10.730 13.972 1.00 0.00 C ATOM 537 CG GLU A 34 3.053 -12.152 13.478 1.00 0.00 C ATOM 538 CD GLU A 34 4.291 -13.011 13.644 1.00 0.00 C ATOM 539 OE1 GLU A 34 4.785 -13.127 14.785 1.00 0.00 O ATOM 540 OE2 GLU A 34 4.765 -13.569 12.632 1.00 0.00 O ATOM 0 H GLU A 34 1.771 -10.055 12.121 1.00 0.00 H new ATOM 0 HA GLU A 34 1.311 -10.555 14.866 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.860 -10.185 13.245 1.00 0.00 H new ATOM 0 HB3 GLU A 34 3.827 -10.756 14.902 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.225 -12.606 14.022 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.769 -12.130 12.426 1.00 0.00 H new ATOM 547 N SER A 35 2.625 -7.641 14.082 1.00 0.00 N ATOM 548 CA SER A 35 2.939 -6.315 14.601 1.00 0.00 C ATOM 549 C SER A 35 2.010 -5.263 14.002 1.00 0.00 C ATOM 550 O SER A 35 2.383 -4.099 13.858 1.00 0.00 O ATOM 551 CB SER A 35 4.395 -5.958 14.299 1.00 0.00 C ATOM 552 OG SER A 35 5.271 -6.541 15.248 1.00 0.00 O ATOM 0 H SER A 35 2.723 -7.732 13.071 1.00 0.00 H new ATOM 0 HA SER A 35 2.793 -6.330 15.681 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.657 -6.302 13.298 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.516 -4.875 14.305 1.00 0.00 H new ATOM 0 HG SER A 35 6.196 -6.299 15.032 1.00 0.00 H new ATOM 558 N LYS A 36 0.798 -5.682 13.656 1.00 0.00 N ATOM 559 CA LYS A 36 -0.187 -4.778 13.073 1.00 0.00 C ATOM 560 C LYS A 36 0.462 -3.856 12.046 1.00 0.00 C ATOM 561 O LYS A 36 0.186 -2.656 12.013 1.00 0.00 O ATOM 562 CB LYS A 36 -0.857 -3.947 14.169 1.00 0.00 C ATOM 563 CG LYS A 36 -1.843 -4.735 15.013 1.00 0.00 C ATOM 564 CD LYS A 36 -2.151 -4.025 16.321 1.00 0.00 C ATOM 565 CE LYS A 36 -1.018 -4.185 17.322 1.00 0.00 C ATOM 566 NZ LYS A 36 -0.886 -5.592 17.791 1.00 0.00 N ATOM 0 H LYS A 36 0.474 -6.642 13.769 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.943 -5.380 12.568 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.087 -3.530 14.819 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.376 -3.106 13.709 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.766 -4.883 14.452 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.435 -5.724 15.222 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.322 -2.966 16.130 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.072 -4.425 16.745 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.082 -3.865 16.865 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -1.194 -3.532 18.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.346 -5.612 18.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.831 -5.995 17.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.388 -6.153 17.071 1.00 0.00 H new ATOM 580 N ILE A 37 1.323 -4.423 11.208 1.00 0.00 N ATOM 581 CA ILE A 37 2.008 -3.652 10.179 1.00 0.00 C ATOM 582 C ILE A 37 1.279 -3.748 8.843 1.00 0.00 C ATOM 583 O ILE A 37 0.841 -4.825 8.439 1.00 0.00 O ATOM 584 CB ILE A 37 3.461 -4.127 9.992 1.00 0.00 C ATOM 585 CG1 ILE A 37 4.250 -3.950 11.292 1.00 0.00 C ATOM 586 CG2 ILE A 37 4.126 -3.366 8.855 1.00 0.00 C ATOM 587 CD1 ILE A 37 5.660 -4.493 11.222 1.00 0.00 C ATOM 0 H ILE A 37 1.563 -5.414 11.222 1.00 0.00 H new ATOM 0 HA ILE A 37 2.013 -2.615 10.514 1.00 0.00 H new ATOM 0 HB ILE A 37 3.451 -5.187 9.736 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.290 -2.890 11.542 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.717 -4.449 12.102 1.00 0.00 H new ATOM 0 HG21 ILE A 37 5.152 -3.713 8.736 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.575 -3.538 7.931 1.00 0.00 H new ATOM 0 HG23 ILE A 37 4.128 -2.300 9.083 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.159 -4.333 12.178 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.628 -5.560 11.003 1.00 0.00 H new ATOM 0 HD13 ILE A 37 6.210 -3.977 10.435 1.00 0.00 H new ATOM 599 N PHE A 38 1.153 -2.614 8.162 1.00 0.00 N ATOM 600 CA PHE A 38 0.476 -2.569 6.870 1.00 0.00 C ATOM 601 C PHE A 38 1.377 -1.950 5.806 1.00 0.00 C ATOM 602 O PHE A 38 2.392 -1.328 6.121 1.00 0.00 O ATOM 603 CB PHE A 38 -0.825 -1.773 6.979 1.00 0.00 C ATOM 604 CG PHE A 38 -0.690 -0.511 7.783 1.00 0.00 C ATOM 605 CD1 PHE A 38 -0.429 -0.565 9.143 1.00 0.00 C ATOM 606 CD2 PHE A 38 -0.824 0.729 7.179 1.00 0.00 C ATOM 607 CE1 PHE A 38 -0.305 0.594 9.885 1.00 0.00 C ATOM 608 CE2 PHE A 38 -0.701 1.891 7.916 1.00 0.00 C ATOM 609 CZ PHE A 38 -0.440 1.824 9.271 1.00 0.00 C ATOM 0 H PHE A 38 1.510 -1.714 8.483 1.00 0.00 H new ATOM 0 HA PHE A 38 0.243 -3.592 6.574 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.172 -1.521 5.977 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.590 -2.403 7.432 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.321 -1.524 9.628 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.027 0.788 6.120 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.103 0.538 10.944 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.809 2.851 7.433 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.342 2.731 9.849 1.00 0.00 H new ATOM 619 N ARG A 39 0.999 -2.125 4.544 1.00 0.00 N ATOM 620 CA ARG A 39 1.773 -1.586 3.432 1.00 0.00 C ATOM 621 C ARG A 39 0.855 -1.131 2.301 1.00 0.00 C ATOM 622 O ARG A 39 0.275 -1.954 1.591 1.00 0.00 O ATOM 623 CB ARG A 39 2.759 -2.634 2.914 1.00 0.00 C ATOM 624 CG ARG A 39 3.603 -2.150 1.746 1.00 0.00 C ATOM 625 CD ARG A 39 4.384 -3.291 1.113 1.00 0.00 C ATOM 626 NE ARG A 39 5.460 -2.807 0.252 1.00 0.00 N ATOM 627 CZ ARG A 39 6.122 -3.579 -0.602 1.00 0.00 C ATOM 628 NH1 ARG A 39 5.819 -4.866 -0.710 1.00 0.00 N ATOM 629 NH2 ARG A 39 7.089 -3.065 -1.352 1.00 0.00 N ATOM 0 H ARG A 39 0.161 -2.636 4.266 1.00 0.00 H new ATOM 0 HA ARG A 39 2.330 -0.722 3.794 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.418 -2.934 3.728 1.00 0.00 H new ATOM 0 HB3 ARG A 39 2.205 -3.522 2.608 1.00 0.00 H new ATOM 0 HG2 ARG A 39 2.959 -1.689 0.997 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.295 -1.381 2.089 1.00 0.00 H new ATOM 0 HD2 ARG A 39 4.803 -3.922 1.897 1.00 0.00 H new ATOM 0 HD3 ARG A 39 3.706 -3.915 0.530 1.00 0.00 H new ATOM 0 HE ARG A 39 5.717 -1.822 0.310 1.00 0.00 H new ATOM 0 HH11 ARG A 39 5.076 -5.265 -0.136 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.329 -5.457 -1.367 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.325 -2.076 -1.273 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.597 -3.659 -2.007 1.00 0.00 H new ATOM 643 N ILE A 40 0.728 0.181 2.140 1.00 0.00 N ATOM 644 CA ILE A 40 -0.119 0.744 1.096 1.00 0.00 C ATOM 645 C ILE A 40 0.299 0.240 -0.281 1.00 0.00 C ATOM 646 O ILE A 40 1.190 0.803 -0.917 1.00 0.00 O ATOM 647 CB ILE A 40 -0.072 2.284 1.102 1.00 0.00 C ATOM 648 CG1 ILE A 40 -0.887 2.836 2.273 1.00 0.00 C ATOM 649 CG2 ILE A 40 -0.591 2.834 -0.218 1.00 0.00 C ATOM 650 CD1 ILE A 40 -0.650 4.307 2.534 1.00 0.00 C ATOM 0 H ILE A 40 1.201 0.875 2.719 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.138 0.419 1.306 1.00 0.00 H new ATOM 0 HB ILE A 40 0.964 2.601 1.224 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.947 2.677 2.075 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.643 2.272 3.173 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.552 3.923 -0.199 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.028 2.463 -1.035 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.621 2.511 -0.367 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.260 4.630 3.377 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.403 4.471 2.764 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.921 4.882 1.649 1.00 0.00 H new ATOM 662 N VAL A 41 -0.352 -0.826 -0.738 1.00 0.00 N ATOM 663 CA VAL A 41 -0.051 -1.405 -2.041 1.00 0.00 C ATOM 664 C VAL A 41 -0.025 -0.334 -3.126 1.00 0.00 C ATOM 665 O VAL A 41 0.925 -0.247 -3.903 1.00 0.00 O ATOM 666 CB VAL A 41 -1.080 -2.485 -2.426 1.00 0.00 C ATOM 667 CG1 VAL A 41 -0.640 -3.217 -3.685 1.00 0.00 C ATOM 668 CG2 VAL A 41 -1.283 -3.461 -1.277 1.00 0.00 C ATOM 0 H VAL A 41 -1.091 -1.306 -0.224 1.00 0.00 H new ATOM 0 HA VAL A 41 0.935 -1.863 -1.964 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.033 -1.997 -2.632 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.379 -3.976 -3.942 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.550 -2.506 -4.506 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.324 -3.694 -3.510 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.013 -4.217 -1.566 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.336 -3.944 -1.038 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.646 -2.922 -0.402 1.00 0.00 H new ATOM 678 N ASP A 42 -1.074 0.479 -3.172 1.00 0.00 N ATOM 679 CA ASP A 42 -1.172 1.546 -4.161 1.00 0.00 C ATOM 680 C ASP A 42 -1.622 2.850 -3.510 1.00 0.00 C ATOM 681 O ASP A 42 -2.783 3.018 -3.138 1.00 0.00 O ATOM 682 CB ASP A 42 -2.146 1.153 -5.273 1.00 0.00 C ATOM 683 CG ASP A 42 -1.474 0.368 -6.381 1.00 0.00 C ATOM 684 OD1 ASP A 42 -1.249 -0.846 -6.197 1.00 0.00 O ATOM 685 OD2 ASP A 42 -1.173 0.968 -7.434 1.00 0.00 O ATOM 0 H ASP A 42 -1.869 0.420 -2.536 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.183 1.699 -4.593 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -2.955 0.558 -4.850 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.597 2.053 -5.691 1.00 0.00 H new ATOM 690 N PRO A 43 -0.682 3.797 -3.368 1.00 0.00 N ATOM 691 CA PRO A 43 -0.958 5.102 -2.762 1.00 0.00 C ATOM 692 C PRO A 43 -1.843 5.976 -3.644 1.00 0.00 C ATOM 693 O PRO A 43 -2.687 6.721 -3.148 1.00 0.00 O ATOM 694 CB PRO A 43 0.432 5.726 -2.614 1.00 0.00 C ATOM 695 CG PRO A 43 1.257 5.065 -3.664 1.00 0.00 C ATOM 696 CD PRO A 43 0.723 3.665 -3.789 1.00 0.00 C ATOM 0 HA PRO A 43 -1.500 5.007 -1.821 1.00 0.00 H new ATOM 0 HB2 PRO A 43 0.399 6.806 -2.758 1.00 0.00 H new ATOM 0 HB3 PRO A 43 0.841 5.550 -1.619 1.00 0.00 H new ATOM 0 HG2 PRO A 43 1.182 5.598 -4.612 1.00 0.00 H new ATOM 0 HG3 PRO A 43 2.311 5.057 -3.385 1.00 0.00 H new ATOM 0 HD2 PRO A 43 0.803 3.294 -4.811 1.00 0.00 H new ATOM 0 HD3 PRO A 43 1.269 2.968 -3.153 1.00 0.00 H new ATOM 704 N ASN A 44 -1.645 5.878 -4.955 1.00 0.00 N ATOM 705 CA ASN A 44 -2.426 6.660 -5.906 1.00 0.00 C ATOM 706 C ASN A 44 -3.903 6.286 -5.835 1.00 0.00 C ATOM 707 O ASN A 44 -4.774 7.154 -5.816 1.00 0.00 O ATOM 708 CB ASN A 44 -1.902 6.444 -7.327 1.00 0.00 C ATOM 709 CG ASN A 44 -2.504 7.419 -8.320 1.00 0.00 C ATOM 710 OD1 ASN A 44 -3.716 7.431 -8.538 1.00 0.00 O ATOM 711 ND2 ASN A 44 -1.659 8.242 -8.929 1.00 0.00 N ATOM 0 H ASN A 44 -0.951 5.265 -5.382 1.00 0.00 H new ATOM 0 HA ASN A 44 -2.323 7.713 -5.643 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -0.817 6.549 -7.331 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -2.125 5.425 -7.642 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -2.007 8.919 -9.608 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -0.662 8.197 -8.718 1.00 0.00 H new ATOM 718 N GLY A 45 -4.178 4.985 -5.795 1.00 0.00 N ATOM 719 CA GLY A 45 -5.550 4.518 -5.726 1.00 0.00 C ATOM 720 C GLY A 45 -6.137 4.648 -4.335 1.00 0.00 C ATOM 721 O GLY A 45 -7.338 4.874 -4.178 1.00 0.00 O ATOM 0 H GLY A 45 -3.474 4.247 -5.809 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.160 5.086 -6.429 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.592 3.475 -6.039 1.00 0.00 H new ATOM 725 N LEU A 46 -5.290 4.503 -3.321 1.00 0.00 N ATOM 726 CA LEU A 46 -5.732 4.604 -1.935 1.00 0.00 C ATOM 727 C LEU A 46 -6.020 6.054 -1.559 1.00 0.00 C ATOM 728 O LEU A 46 -7.125 6.387 -1.132 1.00 0.00 O ATOM 729 CB LEU A 46 -4.672 4.023 -0.998 1.00 0.00 C ATOM 730 CG LEU A 46 -5.165 3.574 0.378 1.00 0.00 C ATOM 731 CD1 LEU A 46 -5.809 4.735 1.120 1.00 0.00 C ATOM 732 CD2 LEU A 46 -6.145 2.417 0.241 1.00 0.00 C ATOM 0 H LEU A 46 -4.294 4.315 -3.433 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.654 4.032 -1.831 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.208 3.169 -1.492 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.892 4.771 -0.856 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.307 3.232 0.956 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.154 4.396 2.097 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -5.079 5.534 1.250 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.657 5.108 0.546 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.486 2.110 1.230 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.000 2.734 -0.356 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.651 1.578 -0.249 1.00 0.00 H new ATOM 744 N ALA A 47 -5.019 6.912 -1.723 1.00 0.00 N ATOM 745 CA ALA A 47 -5.166 8.327 -1.405 1.00 0.00 C ATOM 746 C ALA A 47 -6.512 8.860 -1.884 1.00 0.00 C ATOM 747 O ALA A 47 -7.224 9.535 -1.140 1.00 0.00 O ATOM 748 CB ALA A 47 -4.029 9.128 -2.023 1.00 0.00 C ATOM 0 H ALA A 47 -4.097 6.652 -2.074 1.00 0.00 H new ATOM 0 HA ALA A 47 -5.126 8.437 -0.321 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.152 10.183 -1.777 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.077 8.772 -1.629 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -4.043 9.004 -3.106 1.00 0.00 H new ATOM 754 N ARG A 48 -6.855 8.554 -3.131 1.00 0.00 N ATOM 755 CA ARG A 48 -8.115 9.005 -3.710 1.00 0.00 C ATOM 756 C ARG A 48 -9.280 8.716 -2.768 1.00 0.00 C ATOM 757 O ARG A 48 -10.214 9.510 -2.656 1.00 0.00 O ATOM 758 CB ARG A 48 -8.354 8.323 -5.058 1.00 0.00 C ATOM 759 CG ARG A 48 -7.654 9.008 -6.220 1.00 0.00 C ATOM 760 CD ARG A 48 -7.636 8.126 -7.458 1.00 0.00 C ATOM 761 NE ARG A 48 -8.977 7.903 -7.992 1.00 0.00 N ATOM 762 CZ ARG A 48 -9.263 6.973 -8.896 1.00 0.00 C ATOM 763 NH1 ARG A 48 -8.307 6.182 -9.364 1.00 0.00 N ATOM 764 NH2 ARG A 48 -10.508 6.831 -9.332 1.00 0.00 N ATOM 0 H ARG A 48 -6.278 7.996 -3.760 1.00 0.00 H new ATOM 0 HA ARG A 48 -8.051 10.083 -3.862 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -8.013 7.289 -4.998 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -9.425 8.294 -5.256 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -8.159 9.947 -6.448 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -6.632 9.257 -5.935 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -7.014 8.589 -8.224 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -7.179 7.167 -7.213 1.00 0.00 H new ATOM 0 HE ARG A 48 -9.736 8.494 -7.652 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -7.349 6.287 -9.030 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -8.530 5.469 -10.058 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -11.246 7.436 -8.973 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -10.727 6.117 -10.026 1.00 0.00 H new ATOM 778 N LEU A 49 -9.218 7.573 -2.092 1.00 0.00 N ATOM 779 CA LEU A 49 -10.268 7.178 -1.159 1.00 0.00 C ATOM 780 C LEU A 49 -10.295 8.103 0.053 1.00 0.00 C ATOM 781 O LEU A 49 -11.364 8.473 0.540 1.00 0.00 O ATOM 782 CB LEU A 49 -10.058 5.732 -0.707 1.00 0.00 C ATOM 783 CG LEU A 49 -10.089 4.673 -1.810 1.00 0.00 C ATOM 784 CD1 LEU A 49 -9.228 3.479 -1.428 1.00 0.00 C ATOM 785 CD2 LEU A 49 -11.519 4.234 -2.089 1.00 0.00 C ATOM 0 H LEU A 49 -8.452 6.904 -2.173 1.00 0.00 H new ATOM 0 HA LEU A 49 -11.226 7.256 -1.674 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -9.097 5.668 -0.196 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -10.826 5.486 0.027 1.00 0.00 H new ATOM 0 HG LEU A 49 -9.681 5.113 -2.720 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -9.262 2.736 -2.225 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -8.199 3.805 -1.280 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -9.605 3.039 -0.505 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -11.521 3.480 -2.876 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -11.954 3.813 -1.182 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -12.108 5.094 -2.408 1.00 0.00 H new ATOM 797 N TRP A 50 -9.114 8.474 0.534 1.00 0.00 N ATOM 798 CA TRP A 50 -9.003 9.358 1.689 1.00 0.00 C ATOM 799 C TRP A 50 -9.480 10.765 1.346 1.00 0.00 C ATOM 800 O TRP A 50 -10.125 11.427 2.157 1.00 0.00 O ATOM 801 CB TRP A 50 -7.557 9.403 2.185 1.00 0.00 C ATOM 802 CG TRP A 50 -7.254 10.608 3.024 1.00 0.00 C ATOM 803 CD1 TRP A 50 -6.586 11.733 2.631 1.00 0.00 C ATOM 804 CD2 TRP A 50 -7.606 10.806 4.397 1.00 0.00 C ATOM 805 NE1 TRP A 50 -6.502 12.619 3.679 1.00 0.00 N ATOM 806 CE2 TRP A 50 -7.121 12.074 4.773 1.00 0.00 C ATOM 807 CE3 TRP A 50 -8.285 10.037 5.346 1.00 0.00 C ATOM 808 CZ2 TRP A 50 -7.294 12.587 6.056 1.00 0.00 C ATOM 809 CZ3 TRP A 50 -8.456 10.548 6.619 1.00 0.00 C ATOM 810 CH2 TRP A 50 -7.962 11.813 6.964 1.00 0.00 C ATOM 0 H TRP A 50 -8.220 8.177 0.143 1.00 0.00 H new ATOM 0 HA TRP A 50 -9.639 8.962 2.481 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -7.351 8.504 2.766 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -6.885 9.389 1.327 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -6.183 11.902 1.643 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -6.052 13.534 3.647 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -8.669 9.061 5.089 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -6.914 13.562 6.324 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -8.979 9.962 7.360 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -8.112 12.184 7.967 1.00 0.00 H new ATOM 821 N GLY A 51 -9.159 11.216 0.137 1.00 0.00 N ATOM 822 CA GLY A 51 -9.563 12.542 -0.292 1.00 0.00 C ATOM 823 C GLY A 51 -11.006 12.587 -0.753 1.00 0.00 C ATOM 824 O GLY A 51 -11.624 13.651 -0.778 1.00 0.00 O ATOM 0 H GLY A 51 -8.626 10.686 -0.553 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.425 13.244 0.530 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.915 12.871 -1.104 1.00 0.00 H new ATOM 828 N ASN A 52 -11.544 11.429 -1.122 1.00 0.00 N ATOM 829 CA ASN A 52 -12.924 11.341 -1.587 1.00 0.00 C ATOM 830 C ASN A 52 -13.900 11.481 -0.424 1.00 0.00 C ATOM 831 O ASN A 52 -14.644 12.459 -0.337 1.00 0.00 O ATOM 832 CB ASN A 52 -13.157 10.011 -2.307 1.00 0.00 C ATOM 833 CG ASN A 52 -14.468 9.988 -3.069 1.00 0.00 C ATOM 834 OD1 ASN A 52 -14.761 10.895 -3.849 1.00 0.00 O ATOM 835 ND2 ASN A 52 -15.264 8.949 -2.846 1.00 0.00 N ATOM 0 H ASN A 52 -11.046 10.539 -1.108 1.00 0.00 H new ATOM 0 HA ASN A 52 -13.099 12.160 -2.285 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -12.335 9.826 -2.998 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -13.149 9.200 -1.578 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -16.159 8.879 -3.330 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -14.980 8.221 -2.191 1.00 0.00 H new ATOM 842 N HIS A 53 -13.893 10.496 0.469 1.00 0.00 N ATOM 843 CA HIS A 53 -14.778 10.510 1.629 1.00 0.00 C ATOM 844 C HIS A 53 -14.549 11.761 2.472 1.00 0.00 C ATOM 845 O HIS A 53 -15.362 12.100 3.333 1.00 0.00 O ATOM 846 CB HIS A 53 -14.557 9.260 2.480 1.00 0.00 C ATOM 847 CG HIS A 53 -13.512 9.433 3.540 1.00 0.00 C ATOM 848 ND1 HIS A 53 -12.317 8.745 3.538 1.00 0.00 N ATOM 849 CD2 HIS A 53 -13.487 10.225 4.637 1.00 0.00 C ATOM 850 CE1 HIS A 53 -11.603 9.104 4.590 1.00 0.00 C ATOM 851 NE2 HIS A 53 -12.291 10.002 5.273 1.00 0.00 N ATOM 0 H HIS A 53 -13.285 9.679 0.412 1.00 0.00 H new ATOM 0 HA HIS A 53 -15.807 10.519 1.270 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -15.499 8.981 2.952 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -14.270 8.434 1.830 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -14.263 10.906 4.953 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -10.624 8.728 4.848 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -11.983 10.456 6.133 1.00 0.00 H new ATOM 860 N LYS A 54 -13.438 12.444 2.219 1.00 0.00 N ATOM 861 CA LYS A 54 -13.102 13.658 2.954 1.00 0.00 C ATOM 862 C LYS A 54 -13.599 14.896 2.215 1.00 0.00 C ATOM 863 O LYS A 54 -13.185 16.016 2.512 1.00 0.00 O ATOM 864 CB LYS A 54 -11.588 13.749 3.163 1.00 0.00 C ATOM 865 CG LYS A 54 -11.087 12.936 4.344 1.00 0.00 C ATOM 866 CD LYS A 54 -11.477 13.575 5.666 1.00 0.00 C ATOM 867 CE LYS A 54 -10.440 14.592 6.120 1.00 0.00 C ATOM 868 NZ LYS A 54 -10.667 15.025 7.527 1.00 0.00 N ATOM 0 H LYS A 54 -12.755 12.178 1.510 1.00 0.00 H new ATOM 0 HA LYS A 54 -13.595 13.614 3.925 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -11.084 13.409 2.258 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -11.312 14.793 3.308 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -11.496 11.927 4.292 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -10.002 12.844 4.289 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -12.446 14.063 5.564 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -11.588 12.802 6.427 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -9.443 14.160 6.029 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -10.472 15.461 5.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -9.940 15.718 7.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -11.608 15.460 7.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -10.612 14.200 8.157 1.00 0.00 H new ATOM 882 N ASN A 55 -14.491 14.687 1.252 1.00 0.00 N ATOM 883 CA ASN A 55 -15.045 15.787 0.471 1.00 0.00 C ATOM 884 C ASN A 55 -13.938 16.706 -0.036 1.00 0.00 C ATOM 885 O ASN A 55 -14.158 17.897 -0.255 1.00 0.00 O ATOM 886 CB ASN A 55 -16.041 16.587 1.314 1.00 0.00 C ATOM 887 CG ASN A 55 -16.798 17.613 0.495 1.00 0.00 C ATOM 888 OD1 ASN A 55 -16.655 18.818 0.703 1.00 0.00 O ATOM 889 ND2 ASN A 55 -17.610 17.139 -0.444 1.00 0.00 N ATOM 0 H ASN A 55 -14.846 13.766 0.994 1.00 0.00 H new ATOM 0 HA ASN A 55 -15.564 15.364 -0.389 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -16.750 15.903 1.780 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -15.508 17.091 2.120 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -18.146 17.782 -1.027 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -17.698 16.132 -0.582 1.00 0.00 H new ATOM 896 N ARG A 56 -12.749 16.143 -0.223 1.00 0.00 N ATOM 897 CA ARG A 56 -11.607 16.911 -0.704 1.00 0.00 C ATOM 898 C ARG A 56 -11.458 16.774 -2.217 1.00 0.00 C ATOM 899 O ARG A 56 -12.293 16.158 -2.881 1.00 0.00 O ATOM 900 CB ARG A 56 -10.324 16.449 -0.011 1.00 0.00 C ATOM 901 CG ARG A 56 -10.036 17.181 1.289 1.00 0.00 C ATOM 902 CD ARG A 56 -9.664 18.634 1.039 1.00 0.00 C ATOM 903 NE ARG A 56 -8.478 18.758 0.196 1.00 0.00 N ATOM 904 CZ ARG A 56 -8.133 19.878 -0.429 1.00 0.00 C ATOM 905 NH1 ARG A 56 -8.880 20.967 -0.304 1.00 0.00 N ATOM 906 NH2 ARG A 56 -7.039 19.912 -1.179 1.00 0.00 N ATOM 0 H ARG A 56 -12.551 15.158 -0.049 1.00 0.00 H new ATOM 0 HA ARG A 56 -11.782 17.960 -0.466 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -10.395 15.380 0.192 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.483 16.589 -0.691 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -10.912 17.135 1.936 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -9.223 16.682 1.817 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -10.501 19.146 0.565 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -9.485 19.132 1.992 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.881 17.939 0.081 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -9.721 20.945 0.273 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -8.613 21.826 -0.785 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -6.461 19.077 -1.276 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -6.776 20.773 -1.658 1.00 0.00 H new ATOM 920 N THR A 57 -10.389 17.352 -2.756 1.00 0.00 N ATOM 921 CA THR A 57 -10.131 17.296 -4.189 1.00 0.00 C ATOM 922 C THR A 57 -8.638 17.186 -4.475 1.00 0.00 C ATOM 923 O THR A 57 -7.813 17.717 -3.733 1.00 0.00 O ATOM 924 CB THR A 57 -10.690 18.538 -4.910 1.00 0.00 C ATOM 925 OG1 THR A 57 -12.028 18.799 -4.469 1.00 0.00 O ATOM 926 CG2 THR A 57 -10.677 18.340 -6.418 1.00 0.00 C ATOM 0 H THR A 57 -9.688 17.864 -2.221 1.00 0.00 H new ATOM 0 HA THR A 57 -10.637 16.407 -4.566 1.00 0.00 H new ATOM 0 HB THR A 57 -10.055 19.389 -4.666 1.00 0.00 H new ATOM 0 HG1 THR A 57 -12.376 19.590 -4.930 1.00 0.00 H new ATOM 0 HG21 THR A 57 -11.076 19.230 -6.905 1.00 0.00 H new ATOM 0 HG22 THR A 57 -9.654 18.170 -6.754 1.00 0.00 H new ATOM 0 HG23 THR A 57 -11.292 17.478 -6.677 1.00 0.00 H new ATOM 934 N ASN A 58 -8.297 16.494 -5.558 1.00 0.00 N ATOM 935 CA ASN A 58 -6.901 16.315 -5.942 1.00 0.00 C ATOM 936 C ASN A 58 -6.062 15.867 -4.749 1.00 0.00 C ATOM 937 O ASN A 58 -5.001 16.429 -4.478 1.00 0.00 O ATOM 938 CB ASN A 58 -6.338 17.616 -6.517 1.00 0.00 C ATOM 939 CG ASN A 58 -6.926 18.845 -5.850 1.00 0.00 C ATOM 940 OD1 ASN A 58 -8.005 19.308 -6.218 1.00 0.00 O ATOM 941 ND2 ASN A 58 -6.215 19.379 -4.863 1.00 0.00 N ATOM 0 H ASN A 58 -8.967 16.049 -6.184 1.00 0.00 H new ATOM 0 HA ASN A 58 -6.856 15.539 -6.706 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -5.255 17.624 -6.397 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -6.541 17.655 -7.587 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -6.559 20.207 -4.377 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -5.325 18.961 -4.591 1.00 0.00 H new ATOM 948 N MET A 59 -6.544 14.851 -4.041 1.00 0.00 N ATOM 949 CA MET A 59 -5.837 14.327 -2.878 1.00 0.00 C ATOM 950 C MET A 59 -4.762 13.331 -3.300 1.00 0.00 C ATOM 951 O MET A 59 -5.064 12.269 -3.846 1.00 0.00 O ATOM 952 CB MET A 59 -6.821 13.657 -1.916 1.00 0.00 C ATOM 953 CG MET A 59 -6.162 13.100 -0.665 1.00 0.00 C ATOM 954 SD MET A 59 -5.399 14.382 0.348 1.00 0.00 S ATOM 955 CE MET A 59 -6.800 14.920 1.325 1.00 0.00 C ATOM 0 H MET A 59 -7.421 14.374 -4.252 1.00 0.00 H new ATOM 0 HA MET A 59 -5.355 15.162 -2.370 1.00 0.00 H new ATOM 0 HB2 MET A 59 -7.582 14.381 -1.625 1.00 0.00 H new ATOM 0 HB3 MET A 59 -7.333 12.849 -2.438 1.00 0.00 H new ATOM 0 HG2 MET A 59 -6.907 12.569 -0.072 1.00 0.00 H new ATOM 0 HG3 MET A 59 -5.405 12.371 -0.952 1.00 0.00 H new ATOM 0 HE1 MET A 59 -6.467 15.171 2.332 1.00 0.00 H new ATOM 0 HE2 MET A 59 -7.250 15.798 0.863 1.00 0.00 H new ATOM 0 HE3 MET A 59 -7.537 14.119 1.376 1.00 0.00 H new ATOM 965 N THR A 60 -3.505 13.679 -3.043 1.00 0.00 N ATOM 966 CA THR A 60 -2.385 12.817 -3.398 1.00 0.00 C ATOM 967 C THR A 60 -1.697 12.269 -2.152 1.00 0.00 C ATOM 968 O THR A 60 -1.540 12.976 -1.157 1.00 0.00 O ATOM 969 CB THR A 60 -1.348 13.566 -4.255 1.00 0.00 C ATOM 970 OG1 THR A 60 -0.331 12.660 -4.698 1.00 0.00 O ATOM 971 CG2 THR A 60 -0.713 14.702 -3.466 1.00 0.00 C ATOM 0 H THR A 60 -3.237 14.553 -2.590 1.00 0.00 H new ATOM 0 HA THR A 60 -2.795 11.990 -3.978 1.00 0.00 H new ATOM 0 HB THR A 60 -1.861 13.987 -5.120 1.00 0.00 H new ATOM 0 HG1 THR A 60 0.323 13.144 -5.244 1.00 0.00 H new ATOM 0 HG21 THR A 60 0.016 15.217 -4.092 1.00 0.00 H new ATOM 0 HG22 THR A 60 -1.485 15.406 -3.155 1.00 0.00 H new ATOM 0 HG23 THR A 60 -0.214 14.299 -2.585 1.00 0.00 H new ATOM 979 N TYR A 61 -1.290 11.007 -2.214 1.00 0.00 N ATOM 980 CA TYR A 61 -0.620 10.364 -1.090 1.00 0.00 C ATOM 981 C TYR A 61 0.361 11.321 -0.420 1.00 0.00 C ATOM 982 O TYR A 61 0.534 11.297 0.798 1.00 0.00 O ATOM 983 CB TYR A 61 0.116 9.107 -1.558 1.00 0.00 C ATOM 984 CG TYR A 61 1.033 8.517 -0.511 1.00 0.00 C ATOM 985 CD1 TYR A 61 0.527 7.747 0.529 1.00 0.00 C ATOM 986 CD2 TYR A 61 2.405 8.729 -0.561 1.00 0.00 C ATOM 987 CE1 TYR A 61 1.361 7.206 1.489 1.00 0.00 C ATOM 988 CE2 TYR A 61 3.246 8.191 0.393 1.00 0.00 C ATOM 989 CZ TYR A 61 2.720 7.430 1.416 1.00 0.00 C ATOM 990 OH TYR A 61 3.555 6.894 2.369 1.00 0.00 O ATOM 0 H TYR A 61 -1.412 10.408 -3.031 1.00 0.00 H new ATOM 0 HA TYR A 61 -1.380 10.082 -0.361 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -0.617 8.356 -1.852 1.00 0.00 H new ATOM 0 HB3 TYR A 61 0.700 9.348 -2.446 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -0.536 7.568 0.588 1.00 0.00 H new ATOM 0 HD2 TYR A 61 2.821 9.325 -1.360 1.00 0.00 H new ATOM 0 HE1 TYR A 61 0.951 6.611 2.292 1.00 0.00 H new ATOM 0 HE2 TYR A 61 4.310 8.365 0.338 1.00 0.00 H new ATOM 0 HH TYR A 61 4.481 7.145 2.171 1.00 0.00 H new ATOM 1000 N GLU A 62 0.999 12.164 -1.226 1.00 0.00 N ATOM 1001 CA GLU A 62 1.963 13.129 -0.712 1.00 0.00 C ATOM 1002 C GLU A 62 1.378 13.911 0.461 1.00 0.00 C ATOM 1003 O GLU A 62 2.027 14.086 1.492 1.00 0.00 O ATOM 1004 CB GLU A 62 2.392 14.095 -1.819 1.00 0.00 C ATOM 1005 CG GLU A 62 3.375 15.156 -1.355 1.00 0.00 C ATOM 1006 CD GLU A 62 3.931 15.978 -2.501 1.00 0.00 C ATOM 1007 OE1 GLU A 62 3.148 16.712 -3.139 1.00 0.00 O ATOM 1008 OE2 GLU A 62 5.149 15.886 -2.761 1.00 0.00 O ATOM 0 H GLU A 62 0.866 12.198 -2.237 1.00 0.00 H new ATOM 0 HA GLU A 62 2.836 12.579 -0.361 1.00 0.00 H new ATOM 0 HB2 GLU A 62 2.842 13.525 -2.632 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.507 14.585 -2.225 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.880 15.818 -0.645 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.198 14.676 -0.824 1.00 0.00 H new ATOM 1015 N LYS A 63 0.145 14.379 0.295 1.00 0.00 N ATOM 1016 CA LYS A 63 -0.530 15.142 1.339 1.00 0.00 C ATOM 1017 C LYS A 63 -1.076 14.217 2.422 1.00 0.00 C ATOM 1018 O LYS A 63 -1.464 14.668 3.499 1.00 0.00 O ATOM 1019 CB LYS A 63 -1.669 15.969 0.738 1.00 0.00 C ATOM 1020 CG LYS A 63 -1.321 16.605 -0.596 1.00 0.00 C ATOM 1021 CD LYS A 63 -2.460 17.463 -1.119 1.00 0.00 C ATOM 1022 CE LYS A 63 -3.609 16.611 -1.636 1.00 0.00 C ATOM 1023 NZ LYS A 63 -4.924 17.285 -1.459 1.00 0.00 N ATOM 0 H LYS A 63 -0.407 14.243 -0.552 1.00 0.00 H new ATOM 0 HA LYS A 63 0.199 15.813 1.793 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.542 15.329 0.609 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.949 16.752 1.442 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.425 17.216 -0.486 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.088 15.826 -1.322 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.819 18.116 -0.324 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.094 18.106 -1.919 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.452 16.393 -2.692 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.617 15.656 -1.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.547 16.684 -0.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.785 18.198 -0.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.360 17.444 -2.389 1.00 0.00 H new ATOM 1037 N MET A 64 -1.102 12.921 2.129 1.00 0.00 N ATOM 1038 CA MET A 64 -1.598 11.932 3.080 1.00 0.00 C ATOM 1039 C MET A 64 -0.521 11.570 4.098 1.00 0.00 C ATOM 1040 O MET A 64 -0.627 11.912 5.275 1.00 0.00 O ATOM 1041 CB MET A 64 -2.065 10.675 2.344 1.00 0.00 C ATOM 1042 CG MET A 64 -3.153 9.909 3.080 1.00 0.00 C ATOM 1043 SD MET A 64 -3.958 8.676 2.040 1.00 0.00 S ATOM 1044 CE MET A 64 -3.137 7.182 2.589 1.00 0.00 C ATOM 0 H MET A 64 -0.786 12.531 1.241 1.00 0.00 H new ATOM 0 HA MET A 64 -2.444 12.367 3.612 1.00 0.00 H new ATOM 0 HB2 MET A 64 -2.434 10.957 1.358 1.00 0.00 H new ATOM 0 HB3 MET A 64 -1.210 10.017 2.188 1.00 0.00 H new ATOM 0 HG2 MET A 64 -2.720 9.417 3.951 1.00 0.00 H new ATOM 0 HG3 MET A 64 -3.900 10.611 3.449 1.00 0.00 H new ATOM 0 HE1 MET A 64 -3.012 6.504 1.745 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.159 7.434 2.999 1.00 0.00 H new ATOM 0 HE3 MET A 64 -3.739 6.697 3.358 1.00 0.00 H new ATOM 1054 N SER A 65 0.513 10.875 3.636 1.00 0.00 N ATOM 1055 CA SER A 65 1.607 10.462 4.508 1.00 0.00 C ATOM 1056 C SER A 65 1.891 11.526 5.564 1.00 0.00 C ATOM 1057 O SER A 65 2.285 11.212 6.687 1.00 0.00 O ATOM 1058 CB SER A 65 2.869 10.194 3.686 1.00 0.00 C ATOM 1059 OG SER A 65 4.000 10.033 4.525 1.00 0.00 O ATOM 0 H SER A 65 0.617 10.586 2.663 1.00 0.00 H new ATOM 0 HA SER A 65 1.309 9.543 5.013 1.00 0.00 H new ATOM 0 HB2 SER A 65 2.730 9.297 3.082 1.00 0.00 H new ATOM 0 HB3 SER A 65 3.039 11.020 2.996 1.00 0.00 H new ATOM 0 HG SER A 65 4.793 9.861 3.976 1.00 0.00 H new ATOM 1065 N ARG A 66 1.687 12.786 5.195 1.00 0.00 N ATOM 1066 CA ARG A 66 1.921 13.898 6.109 1.00 0.00 C ATOM 1067 C ARG A 66 1.474 13.541 7.524 1.00 0.00 C ATOM 1068 O ARG A 66 2.294 13.428 8.435 1.00 0.00 O ATOM 1069 CB ARG A 66 1.180 15.147 5.628 1.00 0.00 C ATOM 1070 CG ARG A 66 1.726 15.715 4.328 1.00 0.00 C ATOM 1071 CD ARG A 66 1.528 17.221 4.253 1.00 0.00 C ATOM 1072 NE ARG A 66 1.783 17.740 2.912 1.00 0.00 N ATOM 1073 CZ ARG A 66 1.413 18.951 2.509 1.00 0.00 C ATOM 1074 NH1 ARG A 66 0.775 19.763 3.341 1.00 0.00 N ATOM 1075 NH2 ARG A 66 1.681 19.351 1.273 1.00 0.00 N ATOM 0 H ARG A 66 1.360 13.063 4.269 1.00 0.00 H new ATOM 0 HA ARG A 66 2.991 14.103 6.125 1.00 0.00 H new ATOM 0 HB2 ARG A 66 0.126 14.905 5.495 1.00 0.00 H new ATOM 0 HB3 ARG A 66 1.236 15.913 6.401 1.00 0.00 H new ATOM 0 HG2 ARG A 66 2.787 15.482 4.245 1.00 0.00 H new ATOM 0 HG3 ARG A 66 1.228 15.239 3.484 1.00 0.00 H new ATOM 0 HD2 ARG A 66 0.509 17.468 4.550 1.00 0.00 H new ATOM 0 HD3 ARG A 66 2.194 17.710 4.964 1.00 0.00 H new ATOM 0 HE ARG A 66 2.272 17.140 2.248 1.00 0.00 H new ATOM 0 HH11 ARG A 66 0.568 19.458 4.292 1.00 0.00 H new ATOM 0 HH12 ARG A 66 0.492 20.692 3.030 1.00 0.00 H new ATOM 0 HH21 ARG A 66 2.172 18.729 0.631 1.00 0.00 H new ATOM 0 HH22 ARG A 66 1.396 20.281 0.965 1.00 0.00 H new ATOM 1089 N ALA A 67 0.168 13.367 7.700 1.00 0.00 N ATOM 1090 CA ALA A 67 -0.388 13.023 9.003 1.00 0.00 C ATOM 1091 C ALA A 67 0.464 11.968 9.702 1.00 0.00 C ATOM 1092 O ALA A 67 1.074 12.235 10.738 1.00 0.00 O ATOM 1093 CB ALA A 67 -1.820 12.532 8.853 1.00 0.00 C ATOM 0 H ALA A 67 -0.524 13.459 6.957 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.386 13.922 9.620 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.222 12.279 9.834 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.428 13.316 8.403 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -1.837 11.649 8.215 1.00 0.00 H new ATOM 1099 N LEU A 68 0.501 10.770 9.129 1.00 0.00 N ATOM 1100 CA LEU A 68 1.278 9.674 9.698 1.00 0.00 C ATOM 1101 C LEU A 68 2.553 10.194 10.355 1.00 0.00 C ATOM 1102 O LEU A 68 2.947 9.726 11.423 1.00 0.00 O ATOM 1103 CB LEU A 68 1.628 8.655 8.613 1.00 0.00 C ATOM 1104 CG LEU A 68 0.477 7.777 8.119 1.00 0.00 C ATOM 1105 CD1 LEU A 68 -0.536 7.550 9.231 1.00 0.00 C ATOM 1106 CD2 LEU A 68 -0.192 8.407 6.906 1.00 0.00 C ATOM 0 H LEU A 68 0.002 10.533 8.271 1.00 0.00 H new ATOM 0 HA LEU A 68 0.671 9.188 10.462 1.00 0.00 H new ATOM 0 HB2 LEU A 68 2.042 9.191 7.759 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.416 8.005 8.994 1.00 0.00 H new ATOM 0 HG LEU A 68 0.884 6.810 7.823 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.348 6.923 8.861 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.049 7.055 10.071 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -0.938 8.509 9.558 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.008 7.769 6.568 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.585 9.387 7.176 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.538 8.517 6.104 1.00 0.00 H new ATOM 1118 N ARG A 69 3.191 11.165 9.710 1.00 0.00 N ATOM 1119 CA ARG A 69 4.420 11.749 10.231 1.00 0.00 C ATOM 1120 C ARG A 69 4.192 12.350 11.615 1.00 0.00 C ATOM 1121 O ARG A 69 4.702 11.844 12.615 1.00 0.00 O ATOM 1122 CB ARG A 69 4.945 12.823 9.277 1.00 0.00 C ATOM 1123 CG ARG A 69 6.442 13.060 9.391 1.00 0.00 C ATOM 1124 CD ARG A 69 6.762 14.095 10.457 1.00 0.00 C ATOM 1125 NE ARG A 69 6.351 15.439 10.058 1.00 0.00 N ATOM 1126 CZ ARG A 69 7.075 16.225 9.270 1.00 0.00 C ATOM 1127 NH1 ARG A 69 8.242 15.805 8.800 1.00 0.00 N ATOM 1128 NH2 ARG A 69 6.634 17.435 8.952 1.00 0.00 N ATOM 0 H ARG A 69 2.877 11.564 8.825 1.00 0.00 H new ATOM 0 HA ARG A 69 5.162 10.955 10.316 1.00 0.00 H new ATOM 0 HB2 ARG A 69 4.708 12.534 8.253 1.00 0.00 H new ATOM 0 HB3 ARG A 69 4.422 13.759 9.473 1.00 0.00 H new ATOM 0 HG2 ARG A 69 6.943 12.122 9.631 1.00 0.00 H new ATOM 0 HG3 ARG A 69 6.833 13.393 8.430 1.00 0.00 H new ATOM 0 HD2 ARG A 69 6.261 13.824 11.387 1.00 0.00 H new ATOM 0 HD3 ARG A 69 7.833 14.089 10.658 1.00 0.00 H new ATOM 0 HE ARG A 69 5.459 15.793 10.404 1.00 0.00 H new ATOM 0 HH11 ARG A 69 8.585 14.876 9.044 1.00 0.00 H new ATOM 0 HH12 ARG A 69 8.796 16.411 8.195 1.00 0.00 H new ATOM 0 HH21 ARG A 69 5.738 17.762 9.313 1.00 0.00 H new ATOM 0 HH22 ARG A 69 7.191 18.038 8.347 1.00 0.00 H new ATOM 1142 N HIS A 70 3.423 13.433 11.665 1.00 0.00 N ATOM 1143 CA HIS A 70 3.128 14.103 12.926 1.00 0.00 C ATOM 1144 C HIS A 70 2.871 13.087 14.035 1.00 0.00 C ATOM 1145 O HIS A 70 3.206 13.322 15.196 1.00 0.00 O ATOM 1146 CB HIS A 70 1.914 15.020 12.768 1.00 0.00 C ATOM 1147 CG HIS A 70 2.239 16.342 12.142 1.00 0.00 C ATOM 1148 ND1 HIS A 70 2.326 17.514 12.862 1.00 0.00 N ATOM 1149 CD2 HIS A 70 2.501 16.671 10.856 1.00 0.00 C ATOM 1150 CE1 HIS A 70 2.625 18.509 12.045 1.00 0.00 C ATOM 1151 NE2 HIS A 70 2.738 18.023 10.822 1.00 0.00 N ATOM 0 H HIS A 70 2.993 13.865 10.847 1.00 0.00 H new ATOM 0 HA HIS A 70 3.995 14.703 13.201 1.00 0.00 H new ATOM 0 HB2 HIS A 70 1.164 14.514 12.160 1.00 0.00 H new ATOM 0 HB3 HIS A 70 1.468 15.191 13.748 1.00 0.00 H new ATOM 0 HD2 HIS A 70 2.520 15.996 10.013 1.00 0.00 H new ATOM 0 HE1 HIS A 70 2.755 19.543 12.329 1.00 0.00 H new ATOM 0 HE2 HIS A 70 2.965 18.564 9.988 1.00 0.00 H new ATOM 1160 N TYR A 71 2.275 11.958 13.669 1.00 0.00 N ATOM 1161 CA TYR A 71 1.971 10.907 14.633 1.00 0.00 C ATOM 1162 C TYR A 71 3.244 10.200 15.087 1.00 0.00 C ATOM 1163 O TYR A 71 3.405 9.884 16.266 1.00 0.00 O ATOM 1164 CB TYR A 71 1.000 9.893 14.024 1.00 0.00 C ATOM 1165 CG TYR A 71 -0.395 10.439 13.818 1.00 0.00 C ATOM 1166 CD1 TYR A 71 -1.231 10.689 14.899 1.00 0.00 C ATOM 1167 CD2 TYR A 71 -0.877 10.703 12.542 1.00 0.00 C ATOM 1168 CE1 TYR A 71 -2.506 11.187 14.715 1.00 0.00 C ATOM 1169 CE2 TYR A 71 -2.150 11.203 12.349 1.00 0.00 C ATOM 1170 CZ TYR A 71 -2.961 11.443 13.438 1.00 0.00 C ATOM 1171 OH TYR A 71 -4.231 11.939 13.250 1.00 0.00 O ATOM 0 H TYR A 71 1.993 11.747 12.712 1.00 0.00 H new ATOM 0 HA TYR A 71 1.504 11.370 15.503 1.00 0.00 H new ATOM 0 HB2 TYR A 71 1.394 9.555 13.065 1.00 0.00 H new ATOM 0 HB3 TYR A 71 0.947 9.019 14.673 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -0.878 10.491 15.900 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -0.246 10.514 11.686 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -3.143 11.375 15.566 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -2.508 11.405 11.350 1.00 0.00 H new ATOM 0 HH TYR A 71 -4.313 12.807 13.697 1.00 0.00 H new ATOM 1181 N TYR A 72 4.146 9.955 14.144 1.00 0.00 N ATOM 1182 CA TYR A 72 5.405 9.283 14.445 1.00 0.00 C ATOM 1183 C TYR A 72 6.026 9.839 15.723 1.00 0.00 C ATOM 1184 O TYR A 72 6.398 9.087 16.624 1.00 0.00 O ATOM 1185 CB TYR A 72 6.382 9.441 13.279 1.00 0.00 C ATOM 1186 CG TYR A 72 5.881 8.844 11.983 1.00 0.00 C ATOM 1187 CD1 TYR A 72 4.763 8.019 11.963 1.00 0.00 C ATOM 1188 CD2 TYR A 72 6.525 9.106 10.780 1.00 0.00 C ATOM 1189 CE1 TYR A 72 4.302 7.472 10.781 1.00 0.00 C ATOM 1190 CE2 TYR A 72 6.069 8.564 9.594 1.00 0.00 C ATOM 1191 CZ TYR A 72 4.957 7.747 9.600 1.00 0.00 C ATOM 1192 OH TYR A 72 4.502 7.204 8.420 1.00 0.00 O ATOM 0 H TYR A 72 4.029 10.212 13.164 1.00 0.00 H new ATOM 0 HA TYR A 72 5.197 8.224 14.595 1.00 0.00 H new ATOM 0 HB2 TYR A 72 6.584 10.501 13.127 1.00 0.00 H new ATOM 0 HB3 TYR A 72 7.329 8.971 13.543 1.00 0.00 H new ATOM 0 HD1 TYR A 72 4.246 7.802 12.886 1.00 0.00 H new ATOM 0 HD2 TYR A 72 7.396 9.744 10.772 1.00 0.00 H new ATOM 0 HE1 TYR A 72 3.432 6.832 10.783 1.00 0.00 H new ATOM 0 HE2 TYR A 72 6.580 8.779 8.667 1.00 0.00 H new ATOM 0 HH TYR A 72 4.474 6.228 8.499 1.00 0.00 H new ATOM 1202 N LYS A 73 6.134 11.161 15.794 1.00 0.00 N ATOM 1203 CA LYS A 73 6.707 11.821 16.961 1.00 0.00 C ATOM 1204 C LYS A 73 5.999 11.380 18.238 1.00 0.00 C ATOM 1205 O LYS A 73 6.638 11.140 19.264 1.00 0.00 O ATOM 1206 CB LYS A 73 6.613 13.341 16.812 1.00 0.00 C ATOM 1207 CG LYS A 73 7.546 13.907 15.756 1.00 0.00 C ATOM 1208 CD LYS A 73 7.981 15.322 16.098 1.00 0.00 C ATOM 1209 CE LYS A 73 8.486 16.063 14.869 1.00 0.00 C ATOM 1210 NZ LYS A 73 7.373 16.678 14.096 1.00 0.00 N ATOM 0 H LYS A 73 5.832 11.797 15.056 1.00 0.00 H new ATOM 0 HA LYS A 73 7.756 11.534 17.030 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.587 13.610 16.561 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.839 13.806 17.771 1.00 0.00 H new ATOM 0 HG2 LYS A 73 8.424 13.268 15.664 1.00 0.00 H new ATOM 0 HG3 LYS A 73 7.046 13.903 14.787 1.00 0.00 H new ATOM 0 HD2 LYS A 73 7.143 15.866 16.533 1.00 0.00 H new ATOM 0 HD3 LYS A 73 8.767 15.290 16.853 1.00 0.00 H new ATOM 0 HE2 LYS A 73 9.187 16.839 15.176 1.00 0.00 H new ATOM 0 HE3 LYS A 73 9.035 15.372 14.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 7.758 17.173 13.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.717 15.935 13.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.865 17.356 14.699 1.00 0.00 H new ATOM 1224 N LEU A 74 4.677 11.274 18.169 1.00 0.00 N ATOM 1225 CA LEU A 74 3.881 10.860 19.320 1.00 0.00 C ATOM 1226 C LEU A 74 4.207 9.424 19.719 1.00 0.00 C ATOM 1227 O LEU A 74 3.734 8.931 20.742 1.00 0.00 O ATOM 1228 CB LEU A 74 2.389 10.988 19.006 1.00 0.00 C ATOM 1229 CG LEU A 74 1.784 12.381 19.180 1.00 0.00 C ATOM 1230 CD1 LEU A 74 0.628 12.585 18.213 1.00 0.00 C ATOM 1231 CD2 LEU A 74 1.324 12.588 20.615 1.00 0.00 C ATOM 0 H LEU A 74 4.133 11.469 17.328 1.00 0.00 H new ATOM 0 HA LEU A 74 4.128 11.515 20.156 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.226 10.669 17.977 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.843 10.294 19.645 1.00 0.00 H new ATOM 0 HG LEU A 74 2.553 13.120 18.957 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.210 13.582 18.351 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.987 12.481 17.189 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.143 11.838 18.405 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.896 13.585 20.720 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.571 11.842 20.867 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.175 12.486 21.288 1.00 0.00 H new ATOM 1243 N ASN A 75 5.021 8.759 18.905 1.00 0.00 N ATOM 1244 CA ASN A 75 5.412 7.380 19.175 1.00 0.00 C ATOM 1245 C ASN A 75 4.234 6.431 18.972 1.00 0.00 C ATOM 1246 O ASN A 75 3.974 5.562 19.805 1.00 0.00 O ATOM 1247 CB ASN A 75 5.947 7.249 20.602 1.00 0.00 C ATOM 1248 CG ASN A 75 6.887 6.070 20.761 1.00 0.00 C ATOM 1249 OD1 ASN A 75 6.570 5.097 21.446 1.00 0.00 O ATOM 1250 ND2 ASN A 75 8.051 6.152 20.128 1.00 0.00 N ATOM 0 H ASN A 75 5.422 9.152 18.054 1.00 0.00 H new ATOM 0 HA ASN A 75 6.200 7.108 18.473 1.00 0.00 H new ATOM 0 HB2 ASN A 75 6.469 8.166 20.877 1.00 0.00 H new ATOM 0 HB3 ASN A 75 5.110 7.139 21.292 1.00 0.00 H new ATOM 0 HD21 ASN A 75 8.725 5.389 20.198 1.00 0.00 H new ATOM 0 HD22 ASN A 75 8.272 6.978 19.571 1.00 0.00 H new ATOM 1257 N ILE A 76 3.527 6.604 17.861 1.00 0.00 N ATOM 1258 CA ILE A 76 2.378 5.762 17.549 1.00 0.00 C ATOM 1259 C ILE A 76 2.646 4.901 16.319 1.00 0.00 C ATOM 1260 O ILE A 76 2.304 3.718 16.291 1.00 0.00 O ATOM 1261 CB ILE A 76 1.112 6.605 17.306 1.00 0.00 C ATOM 1262 CG1 ILE A 76 0.880 7.565 18.474 1.00 0.00 C ATOM 1263 CG2 ILE A 76 -0.095 5.701 17.107 1.00 0.00 C ATOM 1264 CD1 ILE A 76 -0.342 8.440 18.303 1.00 0.00 C ATOM 0 H ILE A 76 3.729 7.319 17.162 1.00 0.00 H new ATOM 0 HA ILE A 76 2.215 5.117 18.413 1.00 0.00 H new ATOM 0 HB ILE A 76 1.253 7.194 16.400 1.00 0.00 H new ATOM 0 HG12 ILE A 76 0.778 6.988 19.393 1.00 0.00 H new ATOM 0 HG13 ILE A 76 1.758 8.200 18.592 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -0.982 6.311 16.936 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.072 5.055 16.245 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.241 5.088 17.997 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.444 9.095 19.168 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.234 9.044 17.402 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.229 7.813 18.216 1.00 0.00 H new ATOM 1276 N ILE A 77 3.261 5.502 15.306 1.00 0.00 N ATOM 1277 CA ILE A 77 3.577 4.789 14.074 1.00 0.00 C ATOM 1278 C ILE A 77 5.046 4.959 13.703 1.00 0.00 C ATOM 1279 O ILE A 77 5.609 6.046 13.837 1.00 0.00 O ATOM 1280 CB ILE A 77 2.703 5.273 12.903 1.00 0.00 C ATOM 1281 CG1 ILE A 77 1.223 5.033 13.208 1.00 0.00 C ATOM 1282 CG2 ILE A 77 3.105 4.569 11.615 1.00 0.00 C ATOM 1283 CD1 ILE A 77 0.287 5.825 12.322 1.00 0.00 C ATOM 0 H ILE A 77 3.550 6.480 15.314 1.00 0.00 H new ATOM 0 HA ILE A 77 3.371 3.735 14.257 1.00 0.00 H new ATOM 0 HB ILE A 77 2.858 6.344 12.773 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.005 3.971 13.096 1.00 0.00 H new ATOM 0 HG13 ILE A 77 1.029 5.290 14.249 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.478 4.922 10.796 1.00 0.00 H new ATOM 0 HG22 ILE A 77 4.149 4.787 11.392 1.00 0.00 H new ATOM 0 HG23 ILE A 77 2.976 3.493 11.733 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.745 5.605 12.595 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.478 6.890 12.452 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.453 5.551 11.280 1.00 0.00 H new ATOM 1295 N ARG A 78 5.661 3.878 13.234 1.00 0.00 N ATOM 1296 CA ARG A 78 7.065 3.908 12.841 1.00 0.00 C ATOM 1297 C ARG A 78 7.235 3.450 11.396 1.00 0.00 C ATOM 1298 O ARG A 78 7.020 2.282 11.073 1.00 0.00 O ATOM 1299 CB ARG A 78 7.895 3.019 13.770 1.00 0.00 C ATOM 1300 CG ARG A 78 9.338 3.472 13.916 1.00 0.00 C ATOM 1301 CD ARG A 78 9.440 4.759 14.719 1.00 0.00 C ATOM 1302 NE ARG A 78 9.569 4.503 16.151 1.00 0.00 N ATOM 1303 CZ ARG A 78 10.703 4.128 16.731 1.00 0.00 C ATOM 1304 NH1 ARG A 78 11.801 3.967 16.006 1.00 0.00 N ATOM 1305 NH2 ARG A 78 10.741 3.913 18.040 1.00 0.00 N ATOM 0 H ARG A 78 5.209 2.971 13.117 1.00 0.00 H new ATOM 0 HA ARG A 78 7.417 4.936 12.922 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.427 3.000 14.754 1.00 0.00 H new ATOM 0 HB3 ARG A 78 7.880 1.997 13.390 1.00 0.00 H new ATOM 0 HG2 ARG A 78 9.918 2.690 14.405 1.00 0.00 H new ATOM 0 HG3 ARG A 78 9.775 3.622 12.929 1.00 0.00 H new ATOM 0 HD2 ARG A 78 10.300 5.334 14.375 1.00 0.00 H new ATOM 0 HD3 ARG A 78 8.555 5.370 14.538 1.00 0.00 H new ATOM 0 HE ARG A 78 8.743 4.619 16.738 1.00 0.00 H new ATOM 0 HH11 ARG A 78 11.776 4.131 15.000 1.00 0.00 H new ATOM 0 HH12 ARG A 78 12.671 3.679 16.455 1.00 0.00 H new ATOM 0 HH21 ARG A 78 9.898 4.036 18.602 1.00 0.00 H new ATOM 0 HH22 ARG A 78 11.613 3.625 18.484 1.00 0.00 H new ATOM 1319 N LYS A 79 7.623 4.380 10.528 1.00 0.00 N ATOM 1320 CA LYS A 79 7.823 4.074 9.117 1.00 0.00 C ATOM 1321 C LYS A 79 9.189 3.435 8.887 1.00 0.00 C ATOM 1322 O LYS A 79 10.223 4.073 9.082 1.00 0.00 O ATOM 1323 CB LYS A 79 7.695 5.345 8.275 1.00 0.00 C ATOM 1324 CG LYS A 79 7.835 5.102 6.782 1.00 0.00 C ATOM 1325 CD LYS A 79 7.755 6.401 5.996 1.00 0.00 C ATOM 1326 CE LYS A 79 7.893 6.157 4.501 1.00 0.00 C ATOM 1327 NZ LYS A 79 8.437 7.348 3.793 1.00 0.00 N ATOM 0 H LYS A 79 7.805 5.352 10.778 1.00 0.00 H new ATOM 0 HA LYS A 79 7.053 3.365 8.812 1.00 0.00 H new ATOM 0 HB2 LYS A 79 6.726 5.804 8.471 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.456 6.059 8.591 1.00 0.00 H new ATOM 0 HG2 LYS A 79 8.787 4.611 6.580 1.00 0.00 H new ATOM 0 HG3 LYS A 79 7.050 4.424 6.447 1.00 0.00 H new ATOM 0 HD2 LYS A 79 6.804 6.893 6.199 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.541 7.078 6.329 1.00 0.00 H new ATOM 0 HE2 LYS A 79 8.549 5.303 4.331 1.00 0.00 H new ATOM 0 HE3 LYS A 79 6.920 5.900 4.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 8.516 7.142 2.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 7.799 8.157 3.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.377 7.579 4.173 1.00 0.00 H new ATOM 1341 N GLU A 80 9.185 2.172 8.472 1.00 0.00 N ATOM 1342 CA GLU A 80 10.425 1.449 8.216 1.00 0.00 C ATOM 1343 C GLU A 80 11.191 2.076 7.054 1.00 0.00 C ATOM 1344 O GLU A 80 10.620 2.442 6.026 1.00 0.00 O ATOM 1345 CB GLU A 80 10.130 -0.022 7.911 1.00 0.00 C ATOM 1346 CG GLU A 80 9.879 -0.862 9.152 1.00 0.00 C ATOM 1347 CD GLU A 80 11.159 -1.231 9.876 1.00 0.00 C ATOM 1348 OE1 GLU A 80 11.600 -0.447 10.741 1.00 0.00 O ATOM 1349 OE2 GLU A 80 11.720 -2.306 9.576 1.00 0.00 O ATOM 0 H GLU A 80 8.338 1.629 8.306 1.00 0.00 H new ATOM 0 HA GLU A 80 11.043 1.511 9.112 1.00 0.00 H new ATOM 0 HB2 GLU A 80 9.258 -0.082 7.260 1.00 0.00 H new ATOM 0 HB3 GLU A 80 10.969 -0.445 7.359 1.00 0.00 H new ATOM 0 HG2 GLU A 80 9.227 -0.313 9.832 1.00 0.00 H new ATOM 0 HG3 GLU A 80 9.351 -1.772 8.869 1.00 0.00 H new ATOM 1356 N PRO A 81 12.515 2.205 7.220 1.00 0.00 N ATOM 1357 CA PRO A 81 13.389 2.788 6.198 1.00 0.00 C ATOM 1358 C PRO A 81 13.531 1.888 4.975 1.00 0.00 C ATOM 1359 O PRO A 81 13.376 2.336 3.840 1.00 0.00 O ATOM 1360 CB PRO A 81 14.732 2.929 6.917 1.00 0.00 C ATOM 1361 CG PRO A 81 14.699 1.894 7.988 1.00 0.00 C ATOM 1362 CD PRO A 81 13.263 1.791 8.420 1.00 0.00 C ATOM 0 HA PRO A 81 12.995 3.729 5.814 1.00 0.00 H new ATOM 0 HB2 PRO A 81 15.566 2.766 6.234 1.00 0.00 H new ATOM 0 HB3 PRO A 81 14.854 3.928 7.336 1.00 0.00 H new ATOM 0 HG2 PRO A 81 15.064 0.937 7.617 1.00 0.00 H new ATOM 0 HG3 PRO A 81 15.339 2.177 8.824 1.00 0.00 H new ATOM 0 HD2 PRO A 81 13.006 0.776 8.723 1.00 0.00 H new ATOM 0 HD3 PRO A 81 13.051 2.440 9.269 1.00 0.00 H new ATOM 1370 N GLY A 82 13.826 0.614 5.215 1.00 0.00 N ATOM 1371 CA GLY A 82 13.984 -0.330 4.123 1.00 0.00 C ATOM 1372 C GLY A 82 12.945 -0.137 3.036 1.00 0.00 C ATOM 1373 O GLY A 82 13.282 0.194 1.900 1.00 0.00 O ATOM 0 H GLY A 82 13.958 0.218 6.146 1.00 0.00 H new ATOM 0 HA2 GLY A 82 14.980 -0.221 3.693 1.00 0.00 H new ATOM 0 HA3 GLY A 82 13.914 -1.346 4.512 1.00 0.00 H new ATOM 1377 N GLN A 83 11.680 -0.346 3.385 1.00 0.00 N ATOM 1378 CA GLN A 83 10.589 -0.196 2.429 1.00 0.00 C ATOM 1379 C GLN A 83 10.241 1.275 2.228 1.00 0.00 C ATOM 1380 O GLN A 83 10.810 2.153 2.878 1.00 0.00 O ATOM 1381 CB GLN A 83 9.355 -0.963 2.906 1.00 0.00 C ATOM 1382 CG GLN A 83 9.500 -2.473 2.801 1.00 0.00 C ATOM 1383 CD GLN A 83 9.552 -2.956 1.365 1.00 0.00 C ATOM 1384 OE1 GLN A 83 10.478 -2.631 0.622 1.00 0.00 O ATOM 1385 NE2 GLN A 83 8.555 -3.738 0.967 1.00 0.00 N ATOM 0 H GLN A 83 11.385 -0.620 4.322 1.00 0.00 H new ATOM 0 HA GLN A 83 10.917 -0.608 1.474 1.00 0.00 H new ATOM 0 HB2 GLN A 83 9.150 -0.697 3.943 1.00 0.00 H new ATOM 0 HB3 GLN A 83 8.492 -0.647 2.320 1.00 0.00 H new ATOM 0 HG2 GLN A 83 10.408 -2.784 3.318 1.00 0.00 H new ATOM 0 HG3 GLN A 83 8.663 -2.951 3.311 1.00 0.00 H new ATOM 0 HE21 GLN A 83 7.808 -3.982 1.617 1.00 0.00 H new ATOM 0 HE22 GLN A 83 8.537 -4.094 0.011 1.00 0.00 H new ATOM 1394 N ARG A 84 9.303 1.538 1.323 1.00 0.00 N ATOM 1395 CA ARG A 84 8.880 2.903 1.035 1.00 0.00 C ATOM 1396 C ARG A 84 7.629 3.264 1.831 1.00 0.00 C ATOM 1397 O ARG A 84 7.694 4.017 2.803 1.00 0.00 O ATOM 1398 CB ARG A 84 8.612 3.072 -0.461 1.00 0.00 C ATOM 1399 CG ARG A 84 9.855 2.922 -1.323 1.00 0.00 C ATOM 1400 CD ARG A 84 10.098 1.469 -1.702 1.00 0.00 C ATOM 1401 NE ARG A 84 10.928 1.347 -2.898 1.00 0.00 N ATOM 1402 CZ ARG A 84 10.549 1.765 -4.101 1.00 0.00 C ATOM 1403 NH1 ARG A 84 9.361 2.329 -4.266 1.00 0.00 N ATOM 1404 NH2 ARG A 84 11.359 1.619 -5.141 1.00 0.00 N ATOM 0 H ARG A 84 8.822 0.823 0.777 1.00 0.00 H new ATOM 0 HA ARG A 84 9.685 3.576 1.331 1.00 0.00 H new ATOM 0 HB2 ARG A 84 7.872 2.336 -0.774 1.00 0.00 H new ATOM 0 HB3 ARG A 84 8.176 4.056 -0.635 1.00 0.00 H new ATOM 0 HG2 ARG A 84 9.747 3.522 -2.227 1.00 0.00 H new ATOM 0 HG3 ARG A 84 10.721 3.309 -0.785 1.00 0.00 H new ATOM 0 HD2 ARG A 84 10.581 0.954 -0.872 1.00 0.00 H new ATOM 0 HD3 ARG A 84 9.142 0.974 -1.872 1.00 0.00 H new ATOM 0 HE ARG A 84 11.848 0.918 -2.805 1.00 0.00 H new ATOM 0 HH11 ARG A 84 8.735 2.443 -3.468 1.00 0.00 H new ATOM 0 HH12 ARG A 84 9.072 2.649 -5.190 1.00 0.00 H new ATOM 0 HH21 ARG A 84 12.274 1.185 -5.018 1.00 0.00 H new ATOM 0 HH22 ARG A 84 11.067 1.940 -6.064 1.00 0.00 H new ATOM 1418 N LEU A 85 6.491 2.723 1.411 1.00 0.00 N ATOM 1419 CA LEU A 85 5.224 2.987 2.084 1.00 0.00 C ATOM 1420 C LEU A 85 4.930 1.919 3.132 1.00 0.00 C ATOM 1421 O LEU A 85 3.950 1.181 3.024 1.00 0.00 O ATOM 1422 CB LEU A 85 4.085 3.044 1.064 1.00 0.00 C ATOM 1423 CG LEU A 85 4.082 4.253 0.128 1.00 0.00 C ATOM 1424 CD1 LEU A 85 5.024 4.023 -1.044 1.00 0.00 C ATOM 1425 CD2 LEU A 85 2.672 4.540 -0.368 1.00 0.00 C ATOM 0 H LEU A 85 6.419 2.099 0.607 1.00 0.00 H new ATOM 0 HA LEU A 85 5.302 3.951 2.587 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.122 2.140 0.457 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.139 3.026 1.605 1.00 0.00 H new ATOM 0 HG LEU A 85 4.434 5.121 0.686 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.009 4.894 -1.699 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.036 3.867 -0.672 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.703 3.143 -1.602 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.689 5.404 -1.033 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.293 3.673 -0.909 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.023 4.749 0.482 1.00 0.00 H new ATOM 1437 N LEU A 86 5.784 1.844 4.147 1.00 0.00 N ATOM 1438 CA LEU A 86 5.615 0.867 5.218 1.00 0.00 C ATOM 1439 C LEU A 86 5.397 1.561 6.559 1.00 0.00 C ATOM 1440 O LEU A 86 6.110 2.503 6.906 1.00 0.00 O ATOM 1441 CB LEU A 86 6.838 -0.048 5.298 1.00 0.00 C ATOM 1442 CG LEU A 86 6.580 -1.471 5.794 1.00 0.00 C ATOM 1443 CD1 LEU A 86 5.768 -1.449 7.080 1.00 0.00 C ATOM 1444 CD2 LEU A 86 5.868 -2.288 4.725 1.00 0.00 C ATOM 0 H LEU A 86 6.600 2.447 4.251 1.00 0.00 H new ATOM 0 HA LEU A 86 4.734 0.267 4.993 1.00 0.00 H new ATOM 0 HB2 LEU A 86 7.289 -0.106 4.307 1.00 0.00 H new ATOM 0 HB3 LEU A 86 7.572 0.417 5.956 1.00 0.00 H new ATOM 0 HG LEU A 86 7.540 -1.942 6.003 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.594 -2.471 7.418 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.316 -0.901 7.847 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.811 -0.959 6.898 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.693 -3.298 5.096 1.00 0.00 H new ATOM 0 HD22 LEU A 86 4.914 -1.819 4.484 1.00 0.00 H new ATOM 0 HD23 LEU A 86 6.487 -2.333 3.829 1.00 0.00 H new ATOM 1456 N PHE A 87 4.408 1.089 7.310 1.00 0.00 N ATOM 1457 CA PHE A 87 4.096 1.663 8.614 1.00 0.00 C ATOM 1458 C PHE A 87 3.841 0.567 9.644 1.00 0.00 C ATOM 1459 O PHE A 87 3.217 -0.450 9.342 1.00 0.00 O ATOM 1460 CB PHE A 87 2.874 2.578 8.513 1.00 0.00 C ATOM 1461 CG PHE A 87 2.878 3.450 7.290 1.00 0.00 C ATOM 1462 CD1 PHE A 87 3.894 4.369 7.081 1.00 0.00 C ATOM 1463 CD2 PHE A 87 1.866 3.351 6.349 1.00 0.00 C ATOM 1464 CE1 PHE A 87 3.899 5.173 5.957 1.00 0.00 C ATOM 1465 CE2 PHE A 87 1.866 4.152 5.223 1.00 0.00 C ATOM 1466 CZ PHE A 87 2.884 5.064 5.026 1.00 0.00 C ATOM 0 H PHE A 87 3.808 0.310 7.038 1.00 0.00 H new ATOM 0 HA PHE A 87 4.955 2.250 8.939 1.00 0.00 H new ATOM 0 HB2 PHE A 87 1.972 1.967 8.511 1.00 0.00 H new ATOM 0 HB3 PHE A 87 2.829 3.210 9.400 1.00 0.00 H new ATOM 0 HD1 PHE A 87 4.691 4.458 7.805 1.00 0.00 H new ATOM 0 HD2 PHE A 87 1.067 2.639 6.497 1.00 0.00 H new ATOM 0 HE1 PHE A 87 4.696 5.886 5.806 1.00 0.00 H new ATOM 0 HE2 PHE A 87 1.071 4.065 4.498 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.887 5.691 4.146 1.00 0.00 H new ATOM 1476 N ARG A 88 4.330 0.781 10.861 1.00 0.00 N ATOM 1477 CA ARG A 88 4.157 -0.188 11.936 1.00 0.00 C ATOM 1478 C ARG A 88 3.367 0.417 13.093 1.00 0.00 C ATOM 1479 O ARG A 88 3.821 1.360 13.741 1.00 0.00 O ATOM 1480 CB ARG A 88 5.518 -0.678 12.434 1.00 0.00 C ATOM 1481 CG ARG A 88 5.430 -1.596 13.642 1.00 0.00 C ATOM 1482 CD ARG A 88 6.760 -1.683 14.373 1.00 0.00 C ATOM 1483 NE ARG A 88 7.591 -2.774 13.870 1.00 0.00 N ATOM 1484 CZ ARG A 88 8.916 -2.788 13.955 1.00 0.00 C ATOM 1485 NH1 ARG A 88 9.558 -1.775 14.521 1.00 0.00 N ATOM 1486 NH2 ARG A 88 9.602 -3.817 13.474 1.00 0.00 N ATOM 0 H ARG A 88 4.849 1.617 11.127 1.00 0.00 H new ATOM 0 HA ARG A 88 3.596 -1.035 11.540 1.00 0.00 H new ATOM 0 HB2 ARG A 88 6.024 -1.204 11.624 1.00 0.00 H new ATOM 0 HB3 ARG A 88 6.135 0.184 12.688 1.00 0.00 H new ATOM 0 HG2 ARG A 88 4.662 -1.230 14.324 1.00 0.00 H new ATOM 0 HG3 ARG A 88 5.124 -2.592 13.322 1.00 0.00 H new ATOM 0 HD2 ARG A 88 7.296 -0.740 14.265 1.00 0.00 H new ATOM 0 HD3 ARG A 88 6.579 -1.826 15.438 1.00 0.00 H new ATOM 0 HE ARG A 88 7.128 -3.569 13.429 1.00 0.00 H new ATOM 0 HH11 ARG A 88 9.034 -0.983 14.892 1.00 0.00 H new ATOM 0 HH12 ARG A 88 10.576 -1.788 14.585 1.00 0.00 H new ATOM 0 HH21 ARG A 88 9.111 -4.598 13.038 1.00 0.00 H new ATOM 0 HH22 ARG A 88 10.620 -3.827 13.540 1.00 0.00 H new ATOM 1500 N PHE A 89 2.183 -0.131 13.345 1.00 0.00 N ATOM 1501 CA PHE A 89 1.330 0.356 14.423 1.00 0.00 C ATOM 1502 C PHE A 89 1.937 0.034 15.785 1.00 0.00 C ATOM 1503 O PHE A 89 1.435 -0.823 16.513 1.00 0.00 O ATOM 1504 CB PHE A 89 -0.066 -0.261 14.315 1.00 0.00 C ATOM 1505 CG PHE A 89 -1.007 0.533 13.454 1.00 0.00 C ATOM 1506 CD1 PHE A 89 -1.133 1.902 13.623 1.00 0.00 C ATOM 1507 CD2 PHE A 89 -1.767 -0.091 12.478 1.00 0.00 C ATOM 1508 CE1 PHE A 89 -1.998 2.636 12.832 1.00 0.00 C ATOM 1509 CE2 PHE A 89 -2.633 0.637 11.684 1.00 0.00 C ATOM 1510 CZ PHE A 89 -2.750 2.002 11.863 1.00 0.00 C ATOM 0 H PHE A 89 1.792 -0.912 12.818 1.00 0.00 H new ATOM 0 HA PHE A 89 1.250 1.439 14.328 1.00 0.00 H new ATOM 0 HB2 PHE A 89 0.021 -1.269 13.910 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -0.492 -0.355 15.314 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.549 2.402 14.381 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.682 -1.158 12.336 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.085 3.703 12.972 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -3.218 0.139 10.924 1.00 0.00 H new ATOM 0 HZ PHE A 89 -3.429 2.572 11.246 1.00 0.00 H new ATOM 1520 N MET A 90 3.020 0.726 16.123 1.00 0.00 N ATOM 1521 CA MET A 90 3.695 0.514 17.398 1.00 0.00 C ATOM 1522 C MET A 90 2.688 0.213 18.503 1.00 0.00 C ATOM 1523 O MET A 90 2.579 -0.923 18.966 1.00 0.00 O ATOM 1524 CB MET A 90 4.525 1.744 17.770 1.00 0.00 C ATOM 1525 CG MET A 90 5.663 2.025 16.801 1.00 0.00 C ATOM 1526 SD MET A 90 6.381 3.663 17.029 1.00 0.00 S ATOM 1527 CE MET A 90 7.610 3.323 18.286 1.00 0.00 C ATOM 0 H MET A 90 3.449 1.438 15.532 1.00 0.00 H new ATOM 0 HA MET A 90 4.358 -0.345 17.291 1.00 0.00 H new ATOM 0 HB2 MET A 90 3.871 2.615 17.812 1.00 0.00 H new ATOM 0 HB3 MET A 90 4.936 1.606 18.770 1.00 0.00 H new ATOM 0 HG2 MET A 90 6.440 1.271 16.930 1.00 0.00 H new ATOM 0 HG3 MET A 90 5.296 1.933 15.779 1.00 0.00 H new ATOM 0 HE1 MET A 90 8.176 4.230 18.496 1.00 0.00 H new ATOM 0 HE2 MET A 90 7.115 2.985 19.197 1.00 0.00 H new ATOM 0 HE3 MET A 90 8.288 2.546 17.932 1.00 0.00 H new ATOM 1537 N LYS A 91 1.952 1.237 18.923 1.00 0.00 N ATOM 1538 CA LYS A 91 0.953 1.083 19.973 1.00 0.00 C ATOM 1539 C LYS A 91 -0.420 0.788 19.378 1.00 0.00 C ATOM 1540 O LYS A 91 -0.667 1.046 18.200 1.00 0.00 O ATOM 1541 CB LYS A 91 0.887 2.347 20.833 1.00 0.00 C ATOM 1542 CG LYS A 91 0.509 2.080 22.279 1.00 0.00 C ATOM 1543 CD LYS A 91 1.736 1.833 23.140 1.00 0.00 C ATOM 1544 CE LYS A 91 1.384 1.808 24.620 1.00 0.00 C ATOM 1545 NZ LYS A 91 2.595 1.916 25.480 1.00 0.00 N ATOM 0 H LYS A 91 2.029 2.184 18.551 1.00 0.00 H new ATOM 0 HA LYS A 91 1.247 0.241 20.599 1.00 0.00 H new ATOM 0 HB2 LYS A 91 1.856 2.846 20.806 1.00 0.00 H new ATOM 0 HB3 LYS A 91 0.162 3.035 20.398 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -0.048 2.930 22.673 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -0.152 1.215 22.329 1.00 0.00 H new ATOM 0 HD2 LYS A 91 2.195 0.885 22.858 1.00 0.00 H new ATOM 0 HD3 LYS A 91 2.475 2.612 22.954 1.00 0.00 H new ATOM 0 HE2 LYS A 91 0.704 2.630 24.845 1.00 0.00 H new ATOM 0 HE3 LYS A 91 0.855 0.884 24.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 2.313 1.895 26.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 3.233 1.118 25.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 3.086 2.810 25.277 1.00 0.00 H new ATOM 1559 N THR A 92 -1.313 0.246 20.201 1.00 0.00 N ATOM 1560 CA THR A 92 -2.661 -0.084 19.757 1.00 0.00 C ATOM 1561 C THR A 92 -3.488 1.177 19.528 1.00 0.00 C ATOM 1562 O THR A 92 -3.489 2.103 20.339 1.00 0.00 O ATOM 1563 CB THR A 92 -3.386 -0.981 20.778 1.00 0.00 C ATOM 1564 OG1 THR A 92 -2.655 -2.198 20.965 1.00 0.00 O ATOM 1565 CG2 THR A 92 -4.799 -1.298 20.312 1.00 0.00 C ATOM 0 H THR A 92 -1.126 0.026 21.179 1.00 0.00 H new ATOM 0 HA THR A 92 -2.560 -0.626 18.817 1.00 0.00 H new ATOM 0 HB THR A 92 -3.445 -0.444 21.725 1.00 0.00 H new ATOM 0 HG1 THR A 92 -3.121 -2.763 21.617 1.00 0.00 H new ATOM 0 HG21 THR A 92 -5.291 -1.933 21.049 1.00 0.00 H new ATOM 0 HG22 THR A 92 -5.361 -0.371 20.198 1.00 0.00 H new ATOM 0 HG23 THR A 92 -4.758 -1.818 19.355 1.00 0.00 H new ATOM 1573 N PRO A 93 -4.209 1.215 18.398 1.00 0.00 N ATOM 1574 CA PRO A 93 -5.055 2.356 18.037 1.00 0.00 C ATOM 1575 C PRO A 93 -6.279 2.479 18.938 1.00 0.00 C ATOM 1576 O PRO A 93 -6.602 3.565 19.419 1.00 0.00 O ATOM 1577 CB PRO A 93 -5.479 2.044 16.600 1.00 0.00 C ATOM 1578 CG PRO A 93 -5.393 0.560 16.494 1.00 0.00 C ATOM 1579 CD PRO A 93 -4.255 0.146 17.385 1.00 0.00 C ATOM 0 HA PRO A 93 -4.527 3.304 18.144 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.491 2.397 16.400 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -4.823 2.531 15.879 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -6.325 0.092 16.809 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -5.214 0.252 15.464 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -4.433 -0.829 17.838 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -3.318 0.075 16.833 1.00 0.00 H new ATOM 1587 N ASP A 94 -6.956 1.358 19.164 1.00 0.00 N ATOM 1588 CA ASP A 94 -8.144 1.340 20.009 1.00 0.00 C ATOM 1589 C ASP A 94 -7.817 1.829 21.417 1.00 0.00 C ATOM 1590 O ASP A 94 -8.715 2.099 22.214 1.00 0.00 O ATOM 1591 CB ASP A 94 -8.732 -0.071 20.070 1.00 0.00 C ATOM 1592 CG ASP A 94 -8.720 -0.761 18.720 1.00 0.00 C ATOM 1593 OD1 ASP A 94 -7.644 -1.243 18.309 1.00 0.00 O ATOM 1594 OD2 ASP A 94 -9.788 -0.821 18.076 1.00 0.00 O ATOM 0 H ASP A 94 -6.702 0.450 18.774 1.00 0.00 H new ATOM 0 HA ASP A 94 -8.881 2.014 19.571 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -8.165 -0.667 20.785 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -9.756 -0.019 20.439 1.00 0.00 H new ATOM 1599 N GLU A 95 -6.526 1.939 21.714 1.00 0.00 N ATOM 1600 CA GLU A 95 -6.082 2.394 23.027 1.00 0.00 C ATOM 1601 C GLU A 95 -5.857 3.903 23.032 1.00 0.00 C ATOM 1602 O GLU A 95 -6.468 4.630 23.816 1.00 0.00 O ATOM 1603 CB GLU A 95 -4.794 1.674 23.432 1.00 0.00 C ATOM 1604 CG GLU A 95 -3.991 2.411 24.490 1.00 0.00 C ATOM 1605 CD GLU A 95 -4.790 2.672 25.752 1.00 0.00 C ATOM 1606 OE1 GLU A 95 -5.931 3.167 25.641 1.00 0.00 O ATOM 1607 OE2 GLU A 95 -4.273 2.382 26.851 1.00 0.00 O ATOM 0 H GLU A 95 -5.770 1.720 21.065 1.00 0.00 H new ATOM 0 HA GLU A 95 -6.864 2.158 23.749 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -5.045 0.681 23.805 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -4.172 1.535 22.548 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -3.105 1.828 24.740 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -3.644 3.360 24.082 1.00 0.00 H new ATOM 1614 N ILE A 96 -4.975 4.367 22.152 1.00 0.00 N ATOM 1615 CA ILE A 96 -4.670 5.789 22.055 1.00 0.00 C ATOM 1616 C ILE A 96 -5.945 6.623 21.994 1.00 0.00 C ATOM 1617 O ILE A 96 -6.024 7.699 22.586 1.00 0.00 O ATOM 1618 CB ILE A 96 -3.809 6.096 20.815 1.00 0.00 C ATOM 1619 CG1 ILE A 96 -2.423 5.466 20.960 1.00 0.00 C ATOM 1620 CG2 ILE A 96 -3.695 7.599 20.609 1.00 0.00 C ATOM 1621 CD1 ILE A 96 -1.792 5.081 19.640 1.00 0.00 C ATOM 0 H ILE A 96 -4.460 3.779 21.497 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.109 6.053 22.952 1.00 0.00 H new ATOM 0 HB ILE A 96 -4.293 5.664 19.939 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.767 6.167 21.476 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -2.500 4.579 21.589 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -3.084 7.800 19.729 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -4.689 8.023 20.465 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -3.231 8.052 21.485 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -0.811 4.641 19.820 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -2.427 4.356 19.131 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -1.682 5.968 19.017 1.00 0.00 H new ATOM 1633 N MET A 97 -6.943 6.116 21.277 1.00 0.00 N ATOM 1634 CA MET A 97 -8.217 6.813 21.142 1.00 0.00 C ATOM 1635 C MET A 97 -8.571 7.553 22.428 1.00 0.00 C ATOM 1636 O MET A 97 -8.657 8.781 22.445 1.00 0.00 O ATOM 1637 CB MET A 97 -9.328 5.824 20.786 1.00 0.00 C ATOM 1638 CG MET A 97 -9.239 5.296 19.363 1.00 0.00 C ATOM 1639 SD MET A 97 -9.866 6.468 18.146 1.00 0.00 S ATOM 1640 CE MET A 97 -9.330 5.694 16.622 1.00 0.00 C ATOM 0 H MET A 97 -6.894 5.226 20.781 1.00 0.00 H new ATOM 0 HA MET A 97 -8.120 7.544 20.339 1.00 0.00 H new ATOM 0 HB2 MET A 97 -9.291 4.984 21.479 1.00 0.00 H new ATOM 0 HB3 MET A 97 -10.294 6.310 20.925 1.00 0.00 H new ATOM 0 HG2 MET A 97 -8.200 5.059 19.132 1.00 0.00 H new ATOM 0 HG3 MET A 97 -9.802 4.366 19.289 1.00 0.00 H new ATOM 0 HE1 MET A 97 -9.645 6.303 15.774 1.00 0.00 H new ATOM 0 HE2 MET A 97 -8.244 5.605 16.622 1.00 0.00 H new ATOM 0 HE3 MET A 97 -9.775 4.702 16.541 1.00 0.00 H new ATOM 1650 N SER A 98 -8.775 6.798 23.502 1.00 0.00 N ATOM 1651 CA SER A 98 -9.124 7.383 24.792 1.00 0.00 C ATOM 1652 C SER A 98 -8.385 8.699 25.009 1.00 0.00 C ATOM 1653 O SER A 98 -7.252 8.716 25.489 1.00 0.00 O ATOM 1654 CB SER A 98 -8.795 6.407 25.924 1.00 0.00 C ATOM 1655 OG SER A 98 -7.437 6.006 25.873 1.00 0.00 O ATOM 0 H SER A 98 -8.705 5.780 23.505 1.00 0.00 H new ATOM 0 HA SER A 98 -10.195 7.583 24.795 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.003 6.877 26.885 1.00 0.00 H new ATOM 0 HB3 SER A 98 -9.439 5.531 25.852 1.00 0.00 H new ATOM 0 HG SER A 98 -7.311 5.369 25.139 1.00 0.00 H new ATOM 1661 N GLY A 99 -9.036 9.803 24.652 1.00 0.00 N ATOM 1662 CA GLY A 99 -8.426 11.109 24.815 1.00 0.00 C ATOM 1663 C GLY A 99 -8.738 11.731 26.162 1.00 0.00 C ATOM 1664 O GLY A 99 -9.675 12.520 26.287 1.00 0.00 O ATOM 0 H GLY A 99 -9.975 9.815 24.253 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -7.346 11.019 24.702 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -8.775 11.771 24.023 1.00 0.00 H new ATOM 1668 N ARG A 100 -7.954 11.374 27.173 1.00 0.00 N ATOM 1669 CA ARG A 100 -8.154 11.900 28.518 1.00 0.00 C ATOM 1670 C ARG A 100 -6.982 12.784 28.936 1.00 0.00 C ATOM 1671 O ARG A 100 -7.174 13.871 29.482 1.00 0.00 O ATOM 1672 CB ARG A 100 -8.322 10.754 29.517 1.00 0.00 C ATOM 1673 CG ARG A 100 -9.468 9.814 29.179 1.00 0.00 C ATOM 1674 CD ARG A 100 -10.798 10.355 29.678 1.00 0.00 C ATOM 1675 NE ARG A 100 -10.832 10.469 31.133 1.00 0.00 N ATOM 1676 CZ ARG A 100 -11.936 10.729 31.825 1.00 0.00 C ATOM 1677 NH1 ARG A 100 -13.090 10.901 31.197 1.00 0.00 N ATOM 1678 NH2 ARG A 100 -11.886 10.817 33.148 1.00 0.00 N ATOM 0 H ARG A 100 -7.174 10.722 27.087 1.00 0.00 H new ATOM 0 HA ARG A 100 -9.061 12.505 28.513 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -7.395 10.182 29.560 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -8.486 11.171 30.511 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -9.515 9.669 28.100 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -9.282 8.837 29.624 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -10.981 11.333 29.234 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -11.603 9.699 29.347 1.00 0.00 H new ATOM 0 HE ARG A 100 -9.960 10.342 31.647 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -13.132 10.834 30.180 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -13.936 11.100 31.730 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -10.999 10.685 33.635 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -12.734 11.017 33.678 1.00 0.00 H new ATOM 1692 N THR A 101 -5.767 12.311 28.674 1.00 0.00 N ATOM 1693 CA THR A 101 -4.565 13.058 29.024 1.00 0.00 C ATOM 1694 C THR A 101 -3.711 13.332 27.792 1.00 0.00 C ATOM 1695 O THR A 101 -3.294 14.466 27.554 1.00 0.00 O ATOM 1696 CB THR A 101 -3.718 12.302 30.065 1.00 0.00 C ATOM 1697 OG1 THR A 101 -4.496 12.048 31.240 1.00 0.00 O ATOM 1698 CG2 THR A 101 -2.477 13.100 30.435 1.00 0.00 C ATOM 0 H THR A 101 -5.590 11.415 28.221 1.00 0.00 H new ATOM 0 HA THR A 101 -4.894 14.005 29.453 1.00 0.00 H new ATOM 0 HB THR A 101 -3.404 11.355 29.626 1.00 0.00 H new ATOM 0 HG1 THR A 101 -3.950 11.566 31.896 1.00 0.00 H new ATOM 0 HG21 THR A 101 -1.895 12.546 31.171 1.00 0.00 H new ATOM 0 HG22 THR A 101 -1.872 13.266 29.544 1.00 0.00 H new ATOM 0 HG23 THR A 101 -2.774 14.061 30.855 1.00 0.00 H new ATOM 1706 N ASP A 102 -3.454 12.288 27.011 1.00 0.00 N ATOM 1707 CA ASP A 102 -2.650 12.417 25.801 1.00 0.00 C ATOM 1708 C ASP A 102 -3.474 12.078 24.563 1.00 0.00 C ATOM 1709 O ASP A 102 -3.535 10.922 24.144 1.00 0.00 O ATOM 1710 CB ASP A 102 -1.424 11.507 25.879 1.00 0.00 C ATOM 1711 CG ASP A 102 -0.563 11.588 24.634 1.00 0.00 C ATOM 1712 OD1 ASP A 102 0.276 12.510 24.552 1.00 0.00 O ATOM 1713 OD2 ASP A 102 -0.728 10.731 23.741 1.00 0.00 O ATOM 0 H ASP A 102 -3.791 11.343 27.194 1.00 0.00 H new ATOM 0 HA ASP A 102 -2.319 13.453 25.722 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -0.827 11.781 26.749 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -1.748 10.477 26.026 1.00 0.00 H new ATOM 1718 N ARG A 103 -4.106 13.093 23.983 1.00 0.00 N ATOM 1719 CA ARG A 103 -4.928 12.901 22.794 1.00 0.00 C ATOM 1720 C ARG A 103 -4.305 13.594 21.585 1.00 0.00 C ATOM 1721 O ARG A 103 -3.553 14.559 21.729 1.00 0.00 O ATOM 1722 CB ARG A 103 -6.340 13.439 23.032 1.00 0.00 C ATOM 1723 CG ARG A 103 -6.367 14.827 23.652 1.00 0.00 C ATOM 1724 CD ARG A 103 -7.626 15.586 23.265 1.00 0.00 C ATOM 1725 NE ARG A 103 -7.614 16.958 23.767 1.00 0.00 N ATOM 1726 CZ ARG A 103 -8.635 17.797 23.636 1.00 0.00 C ATOM 1727 NH1 ARG A 103 -9.745 17.406 23.024 1.00 0.00 N ATOM 1728 NH2 ARG A 103 -8.549 19.030 24.119 1.00 0.00 N ATOM 0 H ARG A 103 -4.065 14.056 24.317 1.00 0.00 H new ATOM 0 HA ARG A 103 -4.984 11.832 22.590 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -6.875 13.464 22.083 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -6.878 12.749 23.683 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -6.311 14.743 24.737 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -5.489 15.388 23.330 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -7.723 15.598 22.179 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -8.499 15.064 23.657 1.00 0.00 H new ATOM 0 HE ARG A 103 -6.776 17.290 24.244 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -9.816 16.459 22.653 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -10.528 18.053 22.925 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -7.698 19.334 24.592 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -9.334 19.673 24.018 1.00 0.00 H new ATOM 1742 N LEU A 104 -4.623 13.096 20.396 1.00 0.00 N ATOM 1743 CA LEU A 104 -4.095 13.666 19.161 1.00 0.00 C ATOM 1744 C LEU A 104 -5.224 14.147 18.256 1.00 0.00 C ATOM 1745 O LEU A 104 -5.020 14.383 17.066 1.00 0.00 O ATOM 1746 CB LEU A 104 -3.239 12.634 18.424 1.00 0.00 C ATOM 1747 CG LEU A 104 -3.755 11.194 18.449 1.00 0.00 C ATOM 1748 CD1 LEU A 104 -4.972 11.048 17.549 1.00 0.00 C ATOM 1749 CD2 LEU A 104 -2.658 10.227 18.027 1.00 0.00 C ATOM 0 H LEU A 104 -5.244 12.298 20.260 1.00 0.00 H new ATOM 0 HA LEU A 104 -3.474 14.523 19.423 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -3.143 12.947 17.384 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -2.238 12.648 18.854 1.00 0.00 H new ATOM 0 HG LEU A 104 -4.052 10.952 19.469 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.325 10.017 17.579 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.763 11.713 17.896 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -4.701 11.309 16.526 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -3.043 9.207 18.051 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -2.330 10.468 17.016 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -1.814 10.312 18.712 1.00 0.00 H new ATOM 1761 N GLU A 105 -6.415 14.290 18.830 1.00 0.00 N ATOM 1762 CA GLU A 105 -7.576 14.745 18.074 1.00 0.00 C ATOM 1763 C GLU A 105 -7.295 16.083 17.396 1.00 0.00 C ATOM 1764 O GLU A 105 -7.672 16.299 16.244 1.00 0.00 O ATOM 1765 CB GLU A 105 -8.793 14.871 18.993 1.00 0.00 C ATOM 1766 CG GLU A 105 -9.618 13.599 19.090 1.00 0.00 C ATOM 1767 CD GLU A 105 -8.893 12.488 19.823 1.00 0.00 C ATOM 1768 OE1 GLU A 105 -8.902 12.494 21.071 1.00 0.00 O ATOM 1769 OE2 GLU A 105 -8.315 11.610 19.147 1.00 0.00 O ATOM 0 H GLU A 105 -6.601 14.098 19.814 1.00 0.00 H new ATOM 0 HA GLU A 105 -7.788 14.005 17.302 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -8.456 15.152 19.991 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -9.429 15.679 18.631 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -10.555 13.816 19.603 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -9.875 13.260 18.087 1.00 0.00 H new ATOM 1776 N HIS A 106 -6.631 16.978 18.120 1.00 0.00 N ATOM 1777 CA HIS A 106 -6.299 18.296 17.590 1.00 0.00 C ATOM 1778 C HIS A 106 -5.713 18.184 16.186 1.00 0.00 C ATOM 1779 O HIS A 106 -5.832 19.106 15.377 1.00 0.00 O ATOM 1780 CB HIS A 106 -5.308 19.005 18.513 1.00 0.00 C ATOM 1781 CG HIS A 106 -5.963 19.743 19.640 1.00 0.00 C ATOM 1782 ND1 HIS A 106 -6.995 20.639 19.455 1.00 0.00 N ATOM 1783 CD2 HIS A 106 -5.728 19.713 20.973 1.00 0.00 C ATOM 1784 CE1 HIS A 106 -7.365 21.129 20.624 1.00 0.00 C ATOM 1785 NE2 HIS A 106 -6.613 20.582 21.562 1.00 0.00 N ATOM 0 H HIS A 106 -6.312 16.815 19.075 1.00 0.00 H new ATOM 0 HA HIS A 106 -7.217 18.881 17.537 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -4.617 18.269 18.924 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -4.715 19.706 17.926 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -4.983 19.117 21.479 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -8.149 21.854 20.786 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -6.679 20.774 22.562 1.00 0.00 H new ATOM 1794 N LEU A 107 -5.080 17.051 15.902 1.00 0.00 N ATOM 1795 CA LEU A 107 -4.475 16.819 14.595 1.00 0.00 C ATOM 1796 C LEU A 107 -5.510 16.306 13.599 1.00 0.00 C ATOM 1797 O LEU A 107 -5.185 15.541 12.692 1.00 0.00 O ATOM 1798 CB LEU A 107 -3.325 15.818 14.714 1.00 0.00 C ATOM 1799 CG LEU A 107 -1.960 16.403 15.077 1.00 0.00 C ATOM 1800 CD1 LEU A 107 -1.436 17.275 13.946 1.00 0.00 C ATOM 1801 CD2 LEU A 107 -2.048 17.200 16.370 1.00 0.00 C ATOM 0 H LEU A 107 -4.972 16.279 16.559 1.00 0.00 H new ATOM 0 HA LEU A 107 -4.085 17.769 14.229 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -3.592 15.077 15.467 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -3.231 15.289 13.765 1.00 0.00 H new ATOM 0 HG LEU A 107 -1.262 15.580 15.228 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -0.464 17.683 14.222 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -1.335 16.675 13.041 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -2.134 18.092 13.763 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -1.067 17.609 16.613 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -2.761 18.015 16.247 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -2.379 16.547 17.178 1.00 0.00 H new ATOM 1813 N GLU A 108 -6.756 16.734 13.775 1.00 0.00 N ATOM 1814 CA GLU A 108 -7.838 16.318 12.890 1.00 0.00 C ATOM 1815 C GLU A 108 -7.789 17.086 11.572 1.00 0.00 C ATOM 1816 O GLU A 108 -7.827 16.494 10.494 1.00 0.00 O ATOM 1817 CB GLU A 108 -9.193 16.534 13.568 1.00 0.00 C ATOM 1818 CG GLU A 108 -9.464 17.982 13.940 1.00 0.00 C ATOM 1819 CD GLU A 108 -10.765 18.155 14.699 1.00 0.00 C ATOM 1820 OE1 GLU A 108 -11.724 17.410 14.411 1.00 0.00 O ATOM 1821 OE2 GLU A 108 -10.823 19.038 15.581 1.00 0.00 O ATOM 0 H GLU A 108 -7.041 17.368 14.521 1.00 0.00 H new ATOM 0 HA GLU A 108 -7.711 15.257 12.677 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -9.982 16.185 12.902 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -9.241 15.921 14.468 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -8.641 18.357 14.547 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -9.493 18.587 13.034 1.00 0.00 H new ATOM 1828 N SER A 109 -7.704 18.409 11.668 1.00 0.00 N ATOM 1829 CA SER A 109 -7.654 19.260 10.484 1.00 0.00 C ATOM 1830 C SER A 109 -6.278 19.903 10.335 1.00 0.00 C ATOM 1831 O SER A 109 -6.148 21.126 10.357 1.00 0.00 O ATOM 1832 CB SER A 109 -8.730 20.344 10.564 1.00 0.00 C ATOM 1833 OG SER A 109 -8.680 21.196 9.432 1.00 0.00 O ATOM 0 H SER A 109 -7.668 18.915 12.553 1.00 0.00 H new ATOM 0 HA SER A 109 -7.841 18.636 9.610 1.00 0.00 H new ATOM 0 HB2 SER A 109 -9.714 19.880 10.631 1.00 0.00 H new ATOM 0 HB3 SER A 109 -8.592 20.931 11.472 1.00 0.00 H new ATOM 0 HG SER A 109 -7.833 21.688 9.430 1.00 0.00 H new ATOM 1839 N GLN A 110 -5.255 19.068 10.183 1.00 0.00 N ATOM 1840 CA GLN A 110 -3.889 19.554 10.031 1.00 0.00 C ATOM 1841 C GLN A 110 -3.227 18.941 8.801 1.00 0.00 C ATOM 1842 O GLN A 110 -3.733 17.976 8.229 1.00 0.00 O ATOM 1843 CB GLN A 110 -3.068 19.231 11.281 1.00 0.00 C ATOM 1844 CG GLN A 110 -1.784 20.037 11.390 1.00 0.00 C ATOM 1845 CD GLN A 110 -1.340 20.236 12.826 1.00 0.00 C ATOM 1846 OE1 GLN A 110 -2.143 20.584 13.693 1.00 0.00 O ATOM 1847 NE2 GLN A 110 -0.057 20.016 13.085 1.00 0.00 N ATOM 0 H GLN A 110 -5.346 18.052 10.162 1.00 0.00 H new ATOM 0 HA GLN A 110 -3.927 20.635 9.900 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -3.679 19.415 12.165 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -2.822 18.169 11.280 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -0.993 19.531 10.836 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -1.929 21.010 10.920 1.00 0.00 H new ATOM 0 HE21 GLN A 110 0.573 19.729 12.336 1.00 0.00 H new ATOM 0 HE22 GLN A 110 0.299 20.134 14.033 1.00 0.00 H new ATOM 1856 N GLU A 111 -2.093 19.508 8.401 1.00 0.00 N ATOM 1857 CA GLU A 111 -1.363 19.017 7.238 1.00 0.00 C ATOM 1858 C GLU A 111 -2.325 18.554 6.148 1.00 0.00 C ATOM 1859 O GLU A 111 -2.005 17.664 5.359 1.00 0.00 O ATOM 1860 CB GLU A 111 -0.436 17.867 7.638 1.00 0.00 C ATOM 1861 CG GLU A 111 -1.072 16.880 8.602 1.00 0.00 C ATOM 1862 CD GLU A 111 -2.126 16.014 7.940 1.00 0.00 C ATOM 1863 OE1 GLU A 111 -1.953 15.676 6.750 1.00 0.00 O ATOM 1864 OE2 GLU A 111 -3.124 15.675 8.610 1.00 0.00 O ATOM 0 H GLU A 111 -1.660 20.307 8.865 1.00 0.00 H new ATOM 0 HA GLU A 111 -0.763 19.837 6.844 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -0.123 17.335 6.740 1.00 0.00 H new ATOM 0 HB3 GLU A 111 0.464 18.279 8.094 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -0.297 16.242 9.026 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -1.524 17.426 9.430 1.00 0.00 H new ATOM 1871 N LEU A 112 -3.504 19.164 6.110 1.00 0.00 N ATOM 1872 CA LEU A 112 -4.515 18.815 5.117 1.00 0.00 C ATOM 1873 C LEU A 112 -5.049 20.063 4.422 1.00 0.00 C ATOM 1874 O LEU A 112 -6.190 20.088 3.961 1.00 0.00 O ATOM 1875 CB LEU A 112 -5.665 18.052 5.777 1.00 0.00 C ATOM 1876 CG LEU A 112 -5.397 16.582 6.101 1.00 0.00 C ATOM 1877 CD1 LEU A 112 -6.486 16.028 7.006 1.00 0.00 C ATOM 1878 CD2 LEU A 112 -5.296 15.764 4.821 1.00 0.00 C ATOM 0 H LEU A 112 -3.784 19.903 6.755 1.00 0.00 H new ATOM 0 HA LEU A 112 -4.047 18.177 4.367 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -5.931 18.564 6.702 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -6.534 18.106 5.121 1.00 0.00 H new ATOM 0 HG LEU A 112 -4.446 16.513 6.628 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -6.279 14.981 7.226 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -6.510 16.596 7.936 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -7.451 16.109 6.506 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -5.105 14.720 5.070 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -6.231 15.839 4.266 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -4.479 16.146 4.209 1.00 0.00 H new ATOM 1890 N SER A 113 -4.217 21.096 4.349 1.00 0.00 N ATOM 1891 CA SER A 113 -4.606 22.349 3.712 1.00 0.00 C ATOM 1892 C SER A 113 -5.932 22.854 4.273 1.00 0.00 C ATOM 1893 O SER A 113 -6.820 23.263 3.526 1.00 0.00 O ATOM 1894 CB SER A 113 -4.718 22.162 2.198 1.00 0.00 C ATOM 1895 OG SER A 113 -4.536 23.391 1.517 1.00 0.00 O ATOM 0 H SER A 113 -3.268 21.090 4.723 1.00 0.00 H new ATOM 0 HA SER A 113 -3.836 23.091 3.923 1.00 0.00 H new ATOM 0 HB2 SER A 113 -3.972 21.442 1.861 1.00 0.00 H new ATOM 0 HB3 SER A 113 -5.695 21.747 1.951 1.00 0.00 H new ATOM 0 HG SER A 113 -4.611 23.244 0.551 1.00 0.00 H new ATOM 1901 N GLY A 114 -6.058 22.824 5.596 1.00 0.00 N ATOM 1902 CA GLY A 114 -7.277 23.281 6.236 1.00 0.00 C ATOM 1903 C GLY A 114 -7.516 24.765 6.037 1.00 0.00 C ATOM 1904 O GLY A 114 -6.582 25.566 6.004 1.00 0.00 O ATOM 0 H GLY A 114 -5.337 22.491 6.236 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -8.124 22.723 5.837 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -7.227 23.064 7.303 1.00 0.00 H new ATOM 1908 N PRO A 115 -8.793 25.149 5.897 1.00 0.00 N ATOM 1909 CA PRO A 115 -9.181 26.548 5.696 1.00 0.00 C ATOM 1910 C PRO A 115 -8.959 27.397 6.944 1.00 0.00 C ATOM 1911 O PRO A 115 -9.592 27.176 7.977 1.00 0.00 O ATOM 1912 CB PRO A 115 -10.674 26.459 5.369 1.00 0.00 C ATOM 1913 CG PRO A 115 -11.126 25.190 6.006 1.00 0.00 C ATOM 1914 CD PRO A 115 -9.957 24.248 5.926 1.00 0.00 C ATOM 0 HA PRO A 115 -8.588 27.027 4.917 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -11.218 27.317 5.765 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -10.843 26.444 4.292 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -11.423 25.357 7.042 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -11.993 24.781 5.488 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -9.923 23.576 6.783 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -10.004 23.624 5.034 1.00 0.00 H new ATOM 1922 N SER A 116 -8.058 28.368 6.841 1.00 0.00 N ATOM 1923 CA SER A 116 -7.750 29.247 7.963 1.00 0.00 C ATOM 1924 C SER A 116 -8.251 30.664 7.696 1.00 0.00 C ATOM 1925 O SER A 116 -7.622 31.429 6.965 1.00 0.00 O ATOM 1926 CB SER A 116 -6.243 29.268 8.224 1.00 0.00 C ATOM 1927 OG SER A 116 -5.528 29.631 7.056 1.00 0.00 O ATOM 0 H SER A 116 -7.528 28.566 5.992 1.00 0.00 H new ATOM 0 HA SER A 116 -8.259 28.860 8.846 1.00 0.00 H new ATOM 0 HB2 SER A 116 -6.019 29.973 9.025 1.00 0.00 H new ATOM 0 HB3 SER A 116 -5.916 28.285 8.564 1.00 0.00 H new ATOM 0 HG SER A 116 -5.970 30.392 6.625 1.00 0.00 H new ATOM 1933 N SER A 117 -9.388 31.005 8.294 1.00 0.00 N ATOM 1934 CA SER A 117 -9.976 32.328 8.118 1.00 0.00 C ATOM 1935 C SER A 117 -10.309 32.584 6.651 1.00 0.00 C ATOM 1936 O SER A 117 -10.074 33.674 6.131 1.00 0.00 O ATOM 1937 CB SER A 117 -9.021 33.407 8.632 1.00 0.00 C ATOM 1938 OG SER A 117 -9.689 34.646 8.791 1.00 0.00 O ATOM 0 H SER A 117 -9.920 30.384 8.904 1.00 0.00 H new ATOM 0 HA SER A 117 -10.900 32.367 8.694 1.00 0.00 H new ATOM 0 HB2 SER A 117 -8.595 33.095 9.585 1.00 0.00 H new ATOM 0 HB3 SER A 117 -8.191 33.525 7.935 1.00 0.00 H new ATOM 0 HG SER A 117 -10.118 34.897 7.946 1.00 0.00 H new ATOM 1944 N GLY A 118 -10.858 31.570 5.990 1.00 0.00 N ATOM 1945 CA GLY A 118 -11.215 31.704 4.589 1.00 0.00 C ATOM 1946 C GLY A 118 -12.312 32.726 4.366 1.00 0.00 C ATOM 1947 O GLY A 118 -13.102 32.604 3.430 1.00 0.00 O ATOM 0 H GLY A 118 -11.062 30.658 6.399 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -10.332 31.992 4.018 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -11.540 30.737 4.206 1.00 0.00 H new TER 1951 GLY A 118