USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 806 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 95 ASN : amide:sc= 0.841 K(o=1.1,f=0.066) USER MOD Set 1.2: A 98 SER OG : rot 180:sc= 0.257 USER MOD Set 2.1: A 27 TYR OH : rot 1:sc= -1.11 USER MOD Set 2.2: A 48 LYS NZ :NH3+ 142:sc= -0.582! (180deg=-1.61!) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 GLN :FLIP amide:sc= -3.09! C(o=-5!,f=-3.1!) USER MOD Single : A 15 MET CE :methyl 155:sc= -8.39! (180deg=-9.65!) USER MOD Single : A 20 MET CE :methyl -150:sc= -3.81! (180deg=-6.23!) USER MOD Single : A 22 ASN : amide:sc= -0.114 K(o=-0.11,f=-2.1) USER MOD Single : A 23 HIS : no HD1:sc= -0.197 X(o=-0.2,f=-0.002) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 MET CE :methyl -126:sc= 0 (180deg=-0.0675) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -1.84 K(o=-1.8,f=-2.4) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HD1:sc= -0.748 K(o=-0.75,f=-3) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 53 MET CE :methyl 151:sc= -0.0531 (180deg=-1.28) USER MOD Single : A 54 GLN : amide:sc= -0.174 K(o=-0.17,f=-2!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.0094 X(o=-0.0094,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl 170:sc= -3.03! (180deg=-3.6!) USER MOD Single : A 68 MET CE :methyl 139:sc= -1.71 (180deg=-5.08!) USER MOD Single : A 69 MET CE :methyl -173:sc= -0.085 (180deg=-0.208) USER MOD Single : A 70 MET CE :methyl 139:sc= -15.9! (180deg=-21.7!) USER MOD Single : A 72 ASN : amide:sc= -0.771 K(o=-0.77,f=-2.6) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 MET CE :methyl -168:sc= -9.32! (180deg=-9.9!) USER MOD Single : A 82 GLN : amide:sc= -3.34! C(o=-3.3!,f=-3.3!) USER MOD Single : A 84 MET CE :methyl -155:sc= -0.0687 (180deg=-0.722) USER MOD Single : A 85 SER OG : rot -56:sc= 0.0814 USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 88 HIS :FLIP no HE2:sc= -12.2! C(o=-13!,f=-12!) USER MOD Single : A 89 ASN :FLIP amide:sc= -0.475 F(o=-1.9!,f=-0.47) USER MOD Single : A 97 MET CE :methyl -141:sc= -2.95! (180deg=-4.3!) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=-0.053) USER MOD Single : A 102 GLN : amide:sc= -0.127 K(o=-0.13,f=-1.4!) USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 3.130 -7.588 8.862 1.00 0.00 N ATOM 2 CA PRO A 1 3.989 -6.540 8.255 1.00 0.00 C ATOM 3 C PRO A 1 3.341 -5.162 8.250 1.00 0.00 C ATOM 4 O PRO A 1 2.159 -5.024 8.504 1.00 0.00 O ATOM 5 CB PRO A 1 4.430 -7.002 6.868 1.00 0.00 C ATOM 6 CG PRO A 1 3.379 -8.036 6.467 1.00 0.00 C ATOM 7 CD PRO A 1 2.599 -8.393 7.735 1.00 0.00 C ATOM 0 H2 PRO A 1 2.371 -7.170 9.400 1.00 0.00 H new ATOM 0 H3 PRO A 1 3.666 -8.171 9.505 1.00 0.00 H new ATOM 0 HA PRO A 1 4.875 -6.412 8.877 1.00 0.00 H new ATOM 0 HB2 PRO A 1 4.461 -6.172 6.163 1.00 0.00 H new ATOM 0 HB3 PRO A 1 5.429 -7.438 6.892 1.00 0.00 H new ATOM 0 HG2 PRO A 1 2.713 -7.633 5.704 1.00 0.00 H new ATOM 0 HG3 PRO A 1 3.851 -8.922 6.042 1.00 0.00 H new ATOM 0 HD2 PRO A 1 1.537 -8.192 7.595 1.00 0.00 H new ATOM 0 HD3 PRO A 1 2.696 -9.457 7.952 1.00 0.00 H new ATOM 15 N TYR A 2 4.144 -4.143 7.962 1.00 0.00 N ATOM 16 CA TYR A 2 3.679 -2.773 7.942 1.00 0.00 C ATOM 17 C TYR A 2 4.340 -1.990 6.811 1.00 0.00 C ATOM 18 O TYR A 2 3.696 -1.277 6.052 1.00 0.00 O ATOM 19 CB TYR A 2 4.035 -2.141 9.293 1.00 0.00 C ATOM 20 CG TYR A 2 5.501 -2.313 9.692 1.00 0.00 C ATOM 21 CD1 TYR A 2 5.919 -3.510 10.299 1.00 0.00 C ATOM 22 CD2 TYR A 2 6.424 -1.294 9.401 1.00 0.00 C ATOM 23 CE1 TYR A 2 7.280 -3.685 10.647 1.00 0.00 C ATOM 24 CE2 TYR A 2 7.790 -1.465 9.745 1.00 0.00 C ATOM 25 CZ TYR A 2 8.199 -2.649 10.387 1.00 0.00 C ATOM 26 OH TYR A 2 9.516 -2.831 10.704 1.00 0.00 O ATOM 0 H TYR A 2 5.133 -4.250 7.737 1.00 0.00 H new ATOM 0 HA TYR A 2 2.602 -2.749 7.774 1.00 0.00 H new ATOM 0 HB2 TYR A 2 3.801 -1.077 9.258 1.00 0.00 H new ATOM 0 HB3 TYR A 2 3.405 -2.581 10.066 1.00 0.00 H new ATOM 0 HD1 TYR A 2 5.204 -4.294 10.499 1.00 0.00 H new ATOM 0 HD2 TYR A 2 6.095 -0.386 8.918 1.00 0.00 H new ATOM 0 HE1 TYR A 2 7.611 -4.604 11.108 1.00 0.00 H new ATOM 0 HE2 TYR A 2 8.510 -0.693 9.516 1.00 0.00 H new ATOM 0 HH TYR A 2 10.024 -2.028 10.464 1.00 0.00 H new ATOM 36 N GLY A 3 5.650 -2.143 6.676 1.00 0.00 N ATOM 37 CA GLY A 3 6.415 -1.423 5.679 1.00 0.00 C ATOM 38 C GLY A 3 7.903 -1.632 5.874 1.00 0.00 C ATOM 39 O GLY A 3 8.616 -0.705 6.255 1.00 0.00 O ATOM 0 H GLY A 3 6.208 -2.770 7.256 1.00 0.00 H new ATOM 0 HA2 GLY A 3 6.126 -1.758 4.683 1.00 0.00 H new ATOM 0 HA3 GLY A 3 6.184 -0.359 5.737 1.00 0.00 H new ATOM 43 N ARG A 4 8.343 -2.894 5.754 1.00 0.00 N ATOM 44 CA ARG A 4 9.753 -3.228 5.881 1.00 0.00 C ATOM 45 C ARG A 4 10.558 -2.741 4.672 1.00 0.00 C ATOM 46 O ARG A 4 10.029 -2.055 3.805 1.00 0.00 O ATOM 47 CB ARG A 4 9.929 -4.735 6.056 1.00 0.00 C ATOM 48 CG ARG A 4 11.139 -5.033 6.950 1.00 0.00 C ATOM 49 CD ARG A 4 10.762 -5.986 8.091 1.00 0.00 C ATOM 50 NE ARG A 4 11.502 -5.639 9.318 1.00 0.00 N ATOM 51 CZ ARG A 4 12.734 -6.018 9.590 1.00 0.00 C ATOM 52 NH1 ARG A 4 13.414 -6.739 8.736 1.00 0.00 N ATOM 53 NH2 ARG A 4 13.308 -5.639 10.705 1.00 0.00 N ATOM 0 H ARG A 4 7.736 -3.693 5.569 1.00 0.00 H new ATOM 0 HA ARG A 4 10.135 -2.718 6.766 1.00 0.00 H new ATOM 0 HB2 ARG A 4 9.029 -5.164 6.497 1.00 0.00 H new ATOM 0 HB3 ARG A 4 10.063 -5.207 5.083 1.00 0.00 H new ATOM 0 HG2 ARG A 4 11.937 -5.474 6.352 1.00 0.00 H new ATOM 0 HG3 ARG A 4 11.528 -4.102 7.363 1.00 0.00 H new ATOM 0 HD2 ARG A 4 9.690 -5.932 8.278 1.00 0.00 H new ATOM 0 HD3 ARG A 4 10.984 -7.014 7.803 1.00 0.00 H new ATOM 0 HE ARG A 4 11.023 -5.061 10.009 1.00 0.00 H new ATOM 0 HH11 ARG A 4 12.991 -7.013 7.849 1.00 0.00 H new ATOM 0 HH12 ARG A 4 14.367 -7.027 8.957 1.00 0.00 H new ATOM 0 HH21 ARG A 4 12.801 -5.049 11.365 1.00 0.00 H new ATOM 0 HH22 ARG A 4 14.262 -5.934 10.913 1.00 0.00 H new ATOM 67 N GLY A 5 11.842 -3.095 4.649 1.00 0.00 N ATOM 68 CA GLY A 5 12.713 -2.765 3.545 1.00 0.00 C ATOM 69 C GLY A 5 12.213 -3.364 2.233 1.00 0.00 C ATOM 70 O GLY A 5 11.246 -4.127 2.191 1.00 0.00 O ATOM 0 H GLY A 5 12.298 -3.617 5.398 1.00 0.00 H new ATOM 0 HA2 GLY A 5 12.782 -1.682 3.447 1.00 0.00 H new ATOM 0 HA3 GLY A 5 13.718 -3.131 3.753 1.00 0.00 H new ATOM 74 N ARG A 6 12.892 -2.992 1.152 1.00 0.00 N ATOM 75 CA ARG A 6 12.568 -3.504 -0.167 1.00 0.00 C ATOM 76 C ARG A 6 12.990 -4.956 -0.307 1.00 0.00 C ATOM 77 O ARG A 6 13.717 -5.482 0.533 1.00 0.00 O ATOM 78 CB ARG A 6 13.226 -2.654 -1.255 1.00 0.00 C ATOM 79 CG ARG A 6 14.712 -2.412 -0.947 1.00 0.00 C ATOM 80 CD ARG A 6 14.937 -0.960 -0.499 1.00 0.00 C ATOM 81 NE ARG A 6 15.680 -0.200 -1.521 1.00 0.00 N ATOM 82 CZ ARG A 6 16.329 0.925 -1.310 1.00 0.00 C ATOM 83 NH1 ARG A 6 16.361 1.462 -0.119 1.00 0.00 N ATOM 84 NH2 ARG A 6 16.970 1.508 -2.292 1.00 0.00 N ATOM 0 H ARG A 6 13.672 -2.335 1.168 1.00 0.00 H new ATOM 0 HA ARG A 6 11.486 -3.449 -0.289 1.00 0.00 H new ATOM 0 HB2 ARG A 6 13.128 -3.153 -2.219 1.00 0.00 H new ATOM 0 HB3 ARG A 6 12.708 -1.698 -1.337 1.00 0.00 H new ATOM 0 HG2 ARG A 6 15.044 -3.096 -0.166 1.00 0.00 H new ATOM 0 HG3 ARG A 6 15.312 -2.623 -1.832 1.00 0.00 H new ATOM 0 HD2 ARG A 6 13.976 -0.481 -0.311 1.00 0.00 H new ATOM 0 HD3 ARG A 6 15.489 -0.947 0.441 1.00 0.00 H new ATOM 0 HE ARG A 6 15.692 -0.577 -2.469 1.00 0.00 H new ATOM 0 HH11 ARG A 6 15.880 1.009 0.658 1.00 0.00 H new ATOM 0 HH12 ARG A 6 16.867 2.334 0.034 1.00 0.00 H new ATOM 0 HH21 ARG A 6 16.967 1.090 -3.222 1.00 0.00 H new ATOM 0 HH22 ARG A 6 17.472 2.380 -2.126 1.00 0.00 H new ATOM 98 N THR A 7 12.623 -5.554 -1.430 1.00 0.00 N ATOM 99 CA THR A 7 12.940 -6.944 -1.697 1.00 0.00 C ATOM 100 C THR A 7 13.218 -7.133 -3.181 1.00 0.00 C ATOM 101 O THR A 7 13.559 -6.178 -3.881 1.00 0.00 O ATOM 102 CB THR A 7 11.774 -7.812 -1.215 1.00 0.00 C ATOM 103 OG1 THR A 7 10.637 -7.456 -1.977 1.00 0.00 O ATOM 104 CG2 THR A 7 11.402 -7.516 0.246 1.00 0.00 C ATOM 0 H THR A 7 12.101 -5.092 -2.175 1.00 0.00 H new ATOM 0 HA THR A 7 13.839 -7.245 -1.160 1.00 0.00 H new ATOM 0 HB THR A 7 12.068 -8.857 -1.316 1.00 0.00 H new ATOM 0 HG1 THR A 7 9.871 -7.997 -1.693 1.00 0.00 H new ATOM 0 HG21 THR A 7 10.571 -8.154 0.546 1.00 0.00 H new ATOM 0 HG22 THR A 7 12.261 -7.714 0.887 1.00 0.00 H new ATOM 0 HG23 THR A 7 11.110 -6.470 0.342 1.00 0.00 H new ATOM 112 N GLU A 8 13.110 -8.372 -3.651 1.00 0.00 N ATOM 113 CA GLU A 8 13.340 -8.690 -5.045 1.00 0.00 C ATOM 114 C GLU A 8 12.123 -8.306 -5.890 1.00 0.00 C ATOM 115 O GLU A 8 11.189 -7.648 -5.419 1.00 0.00 O ATOM 116 CB GLU A 8 13.670 -10.179 -5.207 1.00 0.00 C ATOM 117 CG GLU A 8 14.878 -10.568 -4.347 1.00 0.00 C ATOM 118 CD GLU A 8 14.547 -11.761 -3.455 1.00 0.00 C ATOM 119 OE1 GLU A 8 14.552 -12.893 -3.988 1.00 0.00 O ATOM 120 OE2 GLU A 8 14.253 -11.510 -2.263 1.00 0.00 O ATOM 0 H GLU A 8 12.862 -9.176 -3.075 1.00 0.00 H new ATOM 0 HA GLU A 8 14.194 -8.112 -5.397 1.00 0.00 H new ATOM 0 HB2 GLU A 8 12.807 -10.780 -4.922 1.00 0.00 H new ATOM 0 HB3 GLU A 8 13.879 -10.398 -6.254 1.00 0.00 H new ATOM 0 HG2 GLU A 8 15.724 -10.812 -4.990 1.00 0.00 H new ATOM 0 HG3 GLU A 8 15.180 -9.721 -3.731 1.00 0.00 H new ATOM 127 N SER A 9 12.157 -8.697 -7.168 1.00 0.00 N ATOM 128 CA SER A 9 11.066 -8.430 -8.084 1.00 0.00 C ATOM 129 C SER A 9 10.012 -9.537 -8.002 1.00 0.00 C ATOM 130 O SER A 9 9.967 -10.338 -7.068 1.00 0.00 O ATOM 131 CB SER A 9 11.606 -8.289 -9.517 1.00 0.00 C ATOM 132 OG SER A 9 11.296 -7.024 -10.048 1.00 0.00 O ATOM 0 H SER A 9 12.939 -9.203 -7.585 1.00 0.00 H new ATOM 0 HA SER A 9 10.588 -7.492 -7.801 1.00 0.00 H new ATOM 0 HB2 SER A 9 12.686 -8.434 -9.519 1.00 0.00 H new ATOM 0 HB3 SER A 9 11.179 -9.068 -10.149 1.00 0.00 H new ATOM 0 HG SER A 9 11.650 -6.956 -10.959 1.00 0.00 H new ATOM 138 N GLY A 10 9.137 -9.592 -9.011 1.00 0.00 N ATOM 139 CA GLY A 10 8.101 -10.602 -9.105 1.00 0.00 C ATOM 140 C GLY A 10 6.771 -10.019 -8.680 1.00 0.00 C ATOM 141 O GLY A 10 6.033 -9.487 -9.498 1.00 0.00 O ATOM 0 H GLY A 10 9.135 -8.929 -9.786 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.035 -10.973 -10.128 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.353 -11.453 -8.473 1.00 0.00 H new ATOM 145 N CYS A 11 6.462 -10.094 -7.385 1.00 0.00 N ATOM 146 CA CYS A 11 5.221 -9.586 -6.857 1.00 0.00 C ATOM 147 C CYS A 11 5.163 -8.108 -7.093 1.00 0.00 C ATOM 148 O CYS A 11 4.405 -7.685 -7.926 1.00 0.00 O ATOM 149 CB CYS A 11 5.080 -9.886 -5.377 1.00 0.00 C ATOM 150 SG CYS A 11 4.981 -11.634 -4.920 1.00 0.00 S ATOM 0 H CYS A 11 7.073 -10.511 -6.683 1.00 0.00 H new ATOM 0 HA CYS A 11 4.395 -10.080 -7.369 1.00 0.00 H new ATOM 0 HB2 CYS A 11 5.929 -9.444 -4.856 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.184 -9.385 -5.010 1.00 0.00 H new ATOM 155 N TYR A 12 5.958 -7.314 -6.398 1.00 0.00 N ATOM 156 CA TYR A 12 6.031 -5.876 -6.576 1.00 0.00 C ATOM 157 C TYR A 12 5.967 -5.463 -8.039 1.00 0.00 C ATOM 158 O TYR A 12 5.203 -4.576 -8.378 1.00 0.00 O ATOM 159 CB TYR A 12 7.383 -5.438 -6.035 1.00 0.00 C ATOM 160 CG TYR A 12 7.653 -3.949 -6.180 1.00 0.00 C ATOM 161 CD1 TYR A 12 6.795 -3.036 -5.557 1.00 0.00 C ATOM 162 CD2 TYR A 12 8.743 -3.505 -6.945 1.00 0.00 C ATOM 163 CE1 TYR A 12 7.047 -1.645 -5.658 1.00 0.00 C ATOM 164 CE2 TYR A 12 8.996 -2.115 -7.066 1.00 0.00 C ATOM 165 CZ TYR A 12 8.133 -1.194 -6.437 1.00 0.00 C ATOM 166 OH TYR A 12 8.394 0.146 -6.517 1.00 0.00 O ATOM 0 H TYR A 12 6.587 -7.662 -5.675 1.00 0.00 H new ATOM 0 HA TYR A 12 5.185 -5.418 -6.063 1.00 0.00 H new ATOM 0 HB2 TYR A 12 7.446 -5.707 -4.981 1.00 0.00 H new ATOM 0 HB3 TYR A 12 8.167 -5.991 -6.553 1.00 0.00 H new ATOM 0 HD1 TYR A 12 5.941 -3.391 -4.999 1.00 0.00 H new ATOM 0 HD2 TYR A 12 9.386 -4.219 -7.439 1.00 0.00 H new ATOM 0 HE1 TYR A 12 6.414 -0.937 -5.144 1.00 0.00 H new ATOM 0 HE2 TYR A 12 9.844 -1.764 -7.636 1.00 0.00 H new ATOM 0 HH TYR A 12 9.175 0.294 -7.091 1.00 0.00 H new ATOM 176 N GLN A 13 6.659 -6.201 -8.900 1.00 0.00 N ATOM 177 CA GLN A 13 6.626 -5.946 -10.316 1.00 0.00 C ATOM 178 C GLN A 13 5.186 -5.922 -10.832 1.00 0.00 C ATOM 179 O GLN A 13 4.787 -5.017 -11.547 1.00 0.00 O ATOM 180 CB GLN A 13 7.452 -7.002 -11.055 1.00 0.00 C ATOM 181 CG GLN A 13 7.419 -6.757 -12.565 1.00 0.00 C ATOM 182 CD GLN A 13 8.768 -6.288 -13.071 1.00 0.00 C ATOM 183 OE1 GLN A 13 9.723 -7.042 -13.174 1.00 0.00 O ATOM 184 NE2 GLN A 13 8.863 -5.007 -13.371 1.00 0.00 N ATOM 0 H GLN A 13 7.252 -6.985 -8.628 1.00 0.00 H new ATOM 0 HA GLN A 13 7.062 -4.965 -10.505 1.00 0.00 H new ATOM 0 HB2 GLN A 13 8.482 -6.978 -10.700 1.00 0.00 H new ATOM 0 HB3 GLN A 13 7.062 -7.996 -10.834 1.00 0.00 H new ATOM 0 HG2 GLN A 13 7.133 -7.675 -13.079 1.00 0.00 H new ATOM 0 HG3 GLN A 13 6.660 -6.011 -12.799 1.00 0.00 H new ATOM 0 HE21 GLN A 13 8.049 -4.399 -13.276 1.00 0.00 H new ATOM 0 HE22 GLN A 13 9.750 -4.624 -13.698 1.00 0.00 H new ATOM 193 N GLN A 14 4.415 -6.961 -10.515 1.00 0.00 N ATOM 194 CA GLN A 14 3.017 -7.016 -10.875 1.00 0.00 C ATOM 195 C GLN A 14 2.182 -6.016 -10.074 1.00 0.00 C ATOM 196 O GLN A 14 1.059 -5.720 -10.439 1.00 0.00 O ATOM 197 CB GLN A 14 2.515 -8.455 -10.723 1.00 0.00 C ATOM 198 CG GLN A 14 1.831 -8.680 -9.390 1.00 0.00 C ATOM 199 CD GLN A 14 1.774 -10.138 -9.000 1.00 0.00 C ATOM 200 OE1 GLN A 14 2.205 -10.446 -7.788 1.00 0.00 O flip ATOM 201 NE2 GLN A 14 1.327 -10.981 -9.744 1.00 0.00 N flip ATOM 0 H GLN A 14 4.748 -7.779 -10.005 1.00 0.00 H new ATOM 0 HA GLN A 14 2.905 -6.720 -11.918 1.00 0.00 H new ATOM 0 HB2 GLN A 14 1.819 -8.683 -11.530 1.00 0.00 H new ATOM 0 HB3 GLN A 14 3.354 -9.144 -10.821 1.00 0.00 H new ATOM 0 HG2 GLN A 14 2.360 -8.122 -8.617 1.00 0.00 H new ATOM 0 HG3 GLN A 14 0.818 -8.281 -9.435 1.00 0.00 H new ATOM 0 HE21 GLN A 14 1.001 -10.719 -10.674 1.00 0.00 H new ATOM 0 HE22 GLN A 14 1.276 -11.954 -9.441 1.00 0.00 H new ATOM 210 N MET A 15 2.670 -5.593 -8.911 1.00 0.00 N ATOM 211 CA MET A 15 1.996 -4.666 -8.048 1.00 0.00 C ATOM 212 C MET A 15 1.945 -3.298 -8.685 1.00 0.00 C ATOM 213 O MET A 15 0.853 -2.782 -8.850 1.00 0.00 O ATOM 214 CB MET A 15 2.729 -4.574 -6.722 1.00 0.00 C ATOM 215 CG MET A 15 1.818 -4.005 -5.651 1.00 0.00 C ATOM 216 SD MET A 15 2.728 -2.897 -4.597 1.00 0.00 S ATOM 217 CE MET A 15 3.646 -4.076 -3.640 1.00 0.00 C ATOM 0 H MET A 15 3.571 -5.902 -8.546 1.00 0.00 H new ATOM 0 HA MET A 15 0.979 -5.021 -7.882 1.00 0.00 H new ATOM 0 HB2 MET A 15 3.078 -5.562 -6.423 1.00 0.00 H new ATOM 0 HB3 MET A 15 3.611 -3.943 -6.830 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.985 -3.476 -6.115 1.00 0.00 H new ATOM 0 HG3 MET A 15 1.391 -4.814 -5.058 1.00 0.00 H new ATOM 0 HE1 MET A 15 4.556 -3.609 -3.263 1.00 0.00 H new ATOM 0 HE2 MET A 15 3.038 -4.416 -2.802 1.00 0.00 H new ATOM 0 HE3 MET A 15 3.909 -4.928 -4.267 1.00 0.00 H new ATOM 227 N GLU A 16 3.098 -2.723 -9.011 1.00 0.00 N ATOM 228 CA GLU A 16 3.159 -1.405 -9.622 1.00 0.00 C ATOM 229 C GLU A 16 2.375 -1.404 -10.936 1.00 0.00 C ATOM 230 O GLU A 16 1.842 -0.377 -11.344 1.00 0.00 O ATOM 231 CB GLU A 16 4.621 -1.004 -9.862 1.00 0.00 C ATOM 232 CG GLU A 16 5.131 -1.499 -11.225 1.00 0.00 C ATOM 233 CD GLU A 16 6.651 -1.454 -11.294 1.00 0.00 C ATOM 234 OE1 GLU A 16 7.195 -0.337 -11.451 1.00 0.00 O ATOM 235 OE2 GLU A 16 7.278 -2.540 -11.225 1.00 0.00 O ATOM 0 H GLU A 16 4.009 -3.156 -8.859 1.00 0.00 H new ATOM 0 HA GLU A 16 2.708 -0.676 -8.949 1.00 0.00 H new ATOM 0 HB2 GLU A 16 4.714 0.081 -9.811 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.246 -1.415 -9.069 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.787 -2.519 -11.396 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.710 -0.883 -12.019 1.00 0.00 H new ATOM 242 N GLU A 17 2.292 -2.572 -11.591 1.00 0.00 N ATOM 243 CA GLU A 17 1.584 -2.701 -12.839 1.00 0.00 C ATOM 244 C GLU A 17 0.080 -2.733 -12.584 1.00 0.00 C ATOM 245 O GLU A 17 -0.719 -2.407 -13.457 1.00 0.00 O ATOM 246 CB GLU A 17 2.023 -3.972 -13.563 1.00 0.00 C ATOM 247 CG GLU A 17 1.764 -3.831 -15.069 1.00 0.00 C ATOM 248 CD GLU A 17 1.482 -5.193 -15.708 1.00 0.00 C ATOM 249 OE1 GLU A 17 0.672 -5.967 -15.147 1.00 0.00 O ATOM 250 OE2 GLU A 17 2.073 -5.465 -16.779 1.00 0.00 O ATOM 0 H GLU A 17 2.716 -3.438 -11.260 1.00 0.00 H new ATOM 0 HA GLU A 17 1.817 -1.842 -13.468 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.082 -4.156 -13.383 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.479 -4.831 -13.170 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.917 -3.165 -15.235 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.629 -3.372 -15.549 1.00 0.00 H new ATOM 257 N ALA A 18 -0.325 -3.101 -11.367 1.00 0.00 N ATOM 258 CA ALA A 18 -1.699 -3.147 -10.975 1.00 0.00 C ATOM 259 C ALA A 18 -1.895 -2.310 -9.765 1.00 0.00 C ATOM 260 O ALA A 18 -2.639 -2.786 -8.923 1.00 0.00 O ATOM 261 CB ALA A 18 -2.110 -4.603 -10.760 1.00 0.00 C ATOM 0 H ALA A 18 0.320 -3.377 -10.626 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.341 -2.738 -11.756 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.157 -4.645 -10.461 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.975 -5.160 -11.687 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.491 -5.044 -9.978 1.00 0.00 H new ATOM 267 N GLU A 19 -1.269 -1.133 -9.665 1.00 0.00 N ATOM 268 CA GLU A 19 -1.354 -0.215 -8.552 1.00 0.00 C ATOM 269 C GLU A 19 -2.762 -0.223 -7.939 1.00 0.00 C ATOM 270 O GLU A 19 -3.663 0.536 -8.324 1.00 0.00 O ATOM 271 CB GLU A 19 -0.967 1.202 -8.981 1.00 0.00 C ATOM 272 CG GLU A 19 -1.231 1.445 -10.468 1.00 0.00 C ATOM 273 CD GLU A 19 -1.417 2.930 -10.754 1.00 0.00 C ATOM 274 OE1 GLU A 19 -2.509 3.458 -10.414 1.00 0.00 O ATOM 275 OE2 GLU A 19 -0.483 3.539 -11.320 1.00 0.00 O ATOM 0 H GLU A 19 -0.659 -0.787 -10.405 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.648 -0.548 -7.792 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.529 1.925 -8.390 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.089 1.369 -8.769 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.399 1.059 -11.057 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.121 0.897 -10.777 1.00 0.00 H new ATOM 282 N MET A 20 -2.962 -1.089 -6.938 1.00 0.00 N ATOM 283 CA MET A 20 -4.293 -1.349 -6.407 1.00 0.00 C ATOM 284 C MET A 20 -4.278 -0.740 -5.043 1.00 0.00 C ATOM 285 O MET A 20 -5.274 -0.188 -4.602 1.00 0.00 O ATOM 286 CB MET A 20 -4.591 -2.833 -6.291 1.00 0.00 C ATOM 287 CG MET A 20 -3.735 -3.532 -5.251 1.00 0.00 C ATOM 288 SD MET A 20 -3.262 -5.164 -5.794 1.00 0.00 S ATOM 289 CE MET A 20 -1.699 -4.767 -6.583 1.00 0.00 C ATOM 0 H MET A 20 -2.217 -1.617 -6.485 1.00 0.00 H new ATOM 0 HA MET A 20 -5.059 -0.937 -7.065 1.00 0.00 H new ATOM 0 HB2 MET A 20 -5.643 -2.968 -6.038 1.00 0.00 H new ATOM 0 HB3 MET A 20 -4.433 -3.306 -7.260 1.00 0.00 H new ATOM 0 HG2 MET A 20 -2.842 -2.939 -5.053 1.00 0.00 H new ATOM 0 HG3 MET A 20 -4.285 -3.603 -4.312 1.00 0.00 H new ATOM 0 HE1 MET A 20 -1.515 -5.467 -7.398 1.00 0.00 H new ATOM 0 HE2 MET A 20 -1.738 -3.752 -6.978 1.00 0.00 H new ATOM 0 HE3 MET A 20 -0.893 -4.841 -5.852 1.00 0.00 H new ATOM 299 N LEU A 21 -3.123 -0.746 -4.368 1.00 0.00 N ATOM 300 CA LEU A 21 -2.976 -0.170 -3.058 1.00 0.00 C ATOM 301 C LEU A 21 -2.639 1.315 -3.198 1.00 0.00 C ATOM 302 O LEU A 21 -2.287 1.963 -2.217 1.00 0.00 O ATOM 303 CB LEU A 21 -1.934 -0.957 -2.293 1.00 0.00 C ATOM 304 CG LEU A 21 -2.384 -2.340 -1.794 1.00 0.00 C ATOM 305 CD1 LEU A 21 -1.224 -3.335 -1.808 1.00 0.00 C ATOM 306 CD2 LEU A 21 -3.041 -2.249 -0.413 1.00 0.00 C ATOM 0 H LEU A 21 -2.265 -1.159 -4.733 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.903 -0.228 -2.487 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.061 -1.087 -2.932 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.616 -0.366 -1.434 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.141 -2.714 -2.484 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.572 -4.304 -1.450 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.845 -3.438 -2.825 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.427 -2.973 -1.159 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.347 -3.244 -0.090 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.329 -1.838 0.302 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.915 -1.600 -0.468 1.00 0.00 H new ATOM 318 N ASN A 22 -2.828 1.871 -4.400 1.00 0.00 N ATOM 319 CA ASN A 22 -2.582 3.264 -4.661 1.00 0.00 C ATOM 320 C ASN A 22 -3.842 4.057 -4.351 1.00 0.00 C ATOM 321 O ASN A 22 -3.787 5.184 -3.863 1.00 0.00 O ATOM 322 CB ASN A 22 -2.227 3.471 -6.131 1.00 0.00 C ATOM 323 CG ASN A 22 -0.745 3.708 -6.313 1.00 0.00 C ATOM 324 OD1 ASN A 22 -0.002 2.809 -6.614 1.00 0.00 O ATOM 325 ND2 ASN A 22 -0.311 4.911 -5.989 1.00 0.00 N ATOM 0 H ASN A 22 -3.158 1.351 -5.213 1.00 0.00 H new ATOM 0 HA ASN A 22 -1.754 3.600 -4.037 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -2.530 2.597 -6.707 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -2.784 4.321 -6.525 1.00 0.00 H new ATOM 0 HD21 ASN A 22 0.690 5.109 -5.987 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -0.976 5.643 -5.741 1.00 0.00 H new ATOM 332 N HIS A 23 -5.014 3.467 -4.630 1.00 0.00 N ATOM 333 CA HIS A 23 -6.289 4.116 -4.407 1.00 0.00 C ATOM 334 C HIS A 23 -6.604 4.101 -2.930 1.00 0.00 C ATOM 335 O HIS A 23 -6.800 5.167 -2.360 1.00 0.00 O ATOM 336 CB HIS A 23 -7.386 3.421 -5.205 1.00 0.00 C ATOM 337 CG HIS A 23 -7.181 3.484 -6.691 1.00 0.00 C ATOM 338 ND1 HIS A 23 -7.980 4.200 -7.562 1.00 0.00 N ATOM 339 CD2 HIS A 23 -6.215 2.863 -7.439 1.00 0.00 C ATOM 340 CE1 HIS A 23 -7.517 4.026 -8.812 1.00 0.00 C ATOM 341 NE2 HIS A 23 -6.434 3.211 -8.762 1.00 0.00 N ATOM 0 H HIS A 23 -5.091 2.526 -5.016 1.00 0.00 H new ATOM 0 HA HIS A 23 -6.235 5.150 -4.747 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -7.440 2.376 -4.898 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -8.346 3.876 -4.960 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -5.430 2.222 -7.067 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -7.937 4.462 -9.706 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -5.877 2.907 -9.561 1.00 0.00 H new ATOM 350 N CYS A 24 -6.665 2.906 -2.321 1.00 0.00 N ATOM 351 CA CYS A 24 -6.914 2.780 -0.894 1.00 0.00 C ATOM 352 C CYS A 24 -5.963 3.699 -0.151 1.00 0.00 C ATOM 353 O CYS A 24 -6.376 4.221 0.859 1.00 0.00 O ATOM 354 CB CYS A 24 -6.722 1.340 -0.421 1.00 0.00 C ATOM 355 SG CYS A 24 -8.231 0.411 -0.151 1.00 0.00 S ATOM 0 H CYS A 24 -6.544 2.016 -2.805 1.00 0.00 H new ATOM 0 HA CYS A 24 -7.948 3.060 -0.690 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -6.117 0.811 -1.158 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -6.153 1.354 0.508 1.00 0.00 H new ATOM 360 N GLY A 25 -4.789 4.001 -0.697 1.00 0.00 N ATOM 361 CA GLY A 25 -3.854 4.927 -0.132 1.00 0.00 C ATOM 362 C GLY A 25 -4.324 6.348 -0.253 1.00 0.00 C ATOM 363 O GLY A 25 -4.292 7.062 0.725 1.00 0.00 O ATOM 0 H GLY A 25 -4.466 3.587 -1.572 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.696 4.686 0.919 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -2.891 4.820 -0.632 1.00 0.00 H new ATOM 367 N MET A 26 -4.782 6.776 -1.423 1.00 0.00 N ATOM 368 CA MET A 26 -5.280 8.111 -1.655 1.00 0.00 C ATOM 369 C MET A 26 -6.303 8.470 -0.624 1.00 0.00 C ATOM 370 O MET A 26 -6.239 9.569 -0.150 1.00 0.00 O ATOM 371 CB MET A 26 -5.931 8.185 -3.030 1.00 0.00 C ATOM 372 CG MET A 26 -5.612 9.514 -3.704 1.00 0.00 C ATOM 373 SD MET A 26 -6.749 9.788 -5.090 1.00 0.00 S ATOM 374 CE MET A 26 -5.914 11.192 -5.867 1.00 0.00 C ATOM 0 H MET A 26 -4.815 6.183 -2.253 1.00 0.00 H new ATOM 0 HA MET A 26 -4.443 8.806 -1.597 1.00 0.00 H new ATOM 0 HB2 MET A 26 -5.577 7.362 -3.651 1.00 0.00 H new ATOM 0 HB3 MET A 26 -7.011 8.070 -2.934 1.00 0.00 H new ATOM 0 HG2 MET A 26 -5.699 10.328 -2.984 1.00 0.00 H new ATOM 0 HG3 MET A 26 -4.582 9.513 -4.061 1.00 0.00 H new ATOM 0 HE1 MET A 26 -6.473 11.505 -6.749 1.00 0.00 H new ATOM 0 HE2 MET A 26 -5.858 12.019 -5.159 1.00 0.00 H new ATOM 0 HE3 MET A 26 -4.907 10.898 -6.162 1.00 0.00 H new ATOM 384 N TYR A 27 -7.185 7.566 -0.232 1.00 0.00 N ATOM 385 CA TYR A 27 -8.183 7.796 0.784 1.00 0.00 C ATOM 386 C TYR A 27 -7.529 8.156 2.110 1.00 0.00 C ATOM 387 O TYR A 27 -8.023 9.001 2.844 1.00 0.00 O ATOM 388 CB TYR A 27 -8.971 6.493 0.913 1.00 0.00 C ATOM 389 CG TYR A 27 -10.005 6.497 2.028 1.00 0.00 C ATOM 390 CD1 TYR A 27 -9.597 6.492 3.373 1.00 0.00 C ATOM 391 CD2 TYR A 27 -11.360 6.475 1.700 1.00 0.00 C ATOM 392 CE1 TYR A 27 -10.547 6.516 4.415 1.00 0.00 C ATOM 393 CE2 TYR A 27 -12.316 6.478 2.740 1.00 0.00 C ATOM 394 CZ TYR A 27 -11.900 6.544 4.079 1.00 0.00 C ATOM 395 OH TYR A 27 -12.876 6.468 5.022 1.00 0.00 O ATOM 0 H TYR A 27 -7.223 6.626 -0.627 1.00 0.00 H new ATOM 0 HA TYR A 27 -8.833 8.628 0.514 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -9.474 6.291 -0.033 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -8.272 5.674 1.084 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -8.544 6.470 3.611 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -11.674 6.456 0.667 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -10.234 6.513 5.449 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -13.369 6.429 2.504 1.00 0.00 H new ATOM 0 HH TYR A 27 -12.468 6.411 5.911 1.00 0.00 H new ATOM 405 N LEU A 28 -6.466 7.436 2.465 1.00 0.00 N ATOM 406 CA LEU A 28 -5.763 7.668 3.705 1.00 0.00 C ATOM 407 C LEU A 28 -4.919 8.923 3.579 1.00 0.00 C ATOM 408 O LEU A 28 -4.834 9.681 4.527 1.00 0.00 O ATOM 409 CB LEU A 28 -4.921 6.444 4.068 1.00 0.00 C ATOM 410 CG LEU A 28 -5.757 5.187 4.340 1.00 0.00 C ATOM 411 CD1 LEU A 28 -5.318 4.055 3.430 1.00 0.00 C ATOM 412 CD2 LEU A 28 -5.643 4.770 5.784 1.00 0.00 C ATOM 0 H LEU A 28 -6.077 6.682 1.898 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.476 7.822 4.515 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.224 6.239 3.256 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.324 6.672 4.951 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.801 5.420 4.132 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.920 3.170 3.634 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.451 4.352 2.390 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.267 3.829 3.611 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.244 3.877 5.953 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.601 4.556 6.020 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.002 5.575 6.425 1.00 0.00 H new ATOM 424 N MET A 29 -4.352 9.190 2.402 1.00 0.00 N ATOM 425 CA MET A 29 -3.547 10.346 2.104 1.00 0.00 C ATOM 426 C MET A 29 -4.401 11.502 1.606 1.00 0.00 C ATOM 427 O MET A 29 -3.916 12.482 1.056 1.00 0.00 O ATOM 428 CB MET A 29 -2.466 9.982 1.098 1.00 0.00 C ATOM 429 CG MET A 29 -1.110 10.510 1.549 1.00 0.00 C ATOM 430 SD MET A 29 -1.059 12.308 1.721 1.00 0.00 S ATOM 431 CE MET A 29 -0.982 12.753 -0.030 1.00 0.00 C ATOM 0 H MET A 29 -4.455 8.568 1.600 1.00 0.00 H new ATOM 0 HA MET A 29 -3.065 10.678 3.024 1.00 0.00 H new ATOM 0 HB2 MET A 29 -2.420 8.899 0.982 1.00 0.00 H new ATOM 0 HB3 MET A 29 -2.717 10.397 0.122 1.00 0.00 H new ATOM 0 HG2 MET A 29 -0.851 10.054 2.504 1.00 0.00 H new ATOM 0 HG3 MET A 29 -0.351 10.200 0.831 1.00 0.00 H new ATOM 0 HE1 MET A 29 -0.123 13.401 -0.203 1.00 0.00 H new ATOM 0 HE2 MET A 29 -0.882 11.849 -0.631 1.00 0.00 H new ATOM 0 HE3 MET A 29 -1.895 13.277 -0.313 1.00 0.00 H new ATOM 441 N LYS A 30 -5.718 11.391 1.742 1.00 0.00 N ATOM 442 CA LYS A 30 -6.640 12.404 1.276 1.00 0.00 C ATOM 443 C LYS A 30 -6.933 13.357 2.416 1.00 0.00 C ATOM 444 O LYS A 30 -7.374 14.473 2.164 1.00 0.00 O ATOM 445 CB LYS A 30 -7.910 11.755 0.722 1.00 0.00 C ATOM 446 CG LYS A 30 -7.974 11.937 -0.807 1.00 0.00 C ATOM 447 CD LYS A 30 -9.423 11.996 -1.289 1.00 0.00 C ATOM 448 CE LYS A 30 -9.580 13.054 -2.385 1.00 0.00 C ATOM 449 NZ LYS A 30 -10.459 14.150 -1.920 1.00 0.00 N ATOM 0 H LYS A 30 -6.172 10.590 2.181 1.00 0.00 H new ATOM 0 HA LYS A 30 -6.197 12.972 0.458 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -7.924 10.694 0.971 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -8.789 12.202 1.186 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.455 12.853 -1.090 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.457 11.112 -1.297 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -9.726 11.021 -1.670 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -10.082 12.230 -0.453 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -8.603 13.453 -2.657 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -9.999 12.598 -3.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -10.556 14.860 -2.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -11.396 13.766 -1.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -10.043 14.595 -1.077 1.00 0.00 H new ATOM 463 N ASN A 31 -6.644 12.928 3.652 1.00 0.00 N ATOM 464 CA ASN A 31 -6.803 13.758 4.825 1.00 0.00 C ATOM 465 C ASN A 31 -5.435 14.045 5.450 1.00 0.00 C ATOM 466 O ASN A 31 -5.307 14.744 6.451 1.00 0.00 O ATOM 467 CB ASN A 31 -7.704 13.039 5.831 1.00 0.00 C ATOM 468 CG ASN A 31 -7.754 13.777 7.154 1.00 0.00 C ATOM 469 OD1 ASN A 31 -7.956 14.972 7.192 1.00 0.00 O ATOM 470 ND2 ASN A 31 -7.507 13.059 8.235 1.00 0.00 N ATOM 0 H ASN A 31 -6.293 11.992 3.853 1.00 0.00 H new ATOM 0 HA ASN A 31 -7.262 14.706 4.544 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -8.711 12.952 5.423 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -7.336 12.025 5.992 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -7.480 13.508 9.150 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -7.343 12.056 8.154 1.00 0.00 H new ATOM 477 N LEU A 32 -4.376 13.454 4.906 1.00 0.00 N ATOM 478 CA LEU A 32 -3.041 13.636 5.421 1.00 0.00 C ATOM 479 C LEU A 32 -2.498 14.977 4.927 1.00 0.00 C ATOM 480 O LEU A 32 -1.608 15.035 4.081 1.00 0.00 O ATOM 481 CB LEU A 32 -2.167 12.448 5.026 1.00 0.00 C ATOM 482 CG LEU A 32 -2.396 11.203 5.871 1.00 0.00 C ATOM 483 CD1 LEU A 32 -1.792 9.984 5.191 1.00 0.00 C ATOM 484 CD2 LEU A 32 -1.775 11.399 7.229 1.00 0.00 C ATOM 0 H LEU A 32 -4.429 12.837 4.096 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.043 13.667 6.511 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.354 12.204 3.980 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.119 12.739 5.103 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.468 11.039 5.983 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.964 9.101 5.807 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.259 9.843 4.216 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.720 10.133 5.062 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.938 10.508 7.836 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.704 11.572 7.118 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.232 12.259 7.718 1.00 0.00 H new ATOM 496 N GLY A 33 -3.049 16.070 5.454 1.00 0.00 N ATOM 497 CA GLY A 33 -2.633 17.409 5.096 1.00 0.00 C ATOM 498 C GLY A 33 -2.370 18.226 6.339 1.00 0.00 C ATOM 499 O GLY A 33 -3.145 18.222 7.291 1.00 0.00 O ATOM 0 H GLY A 33 -3.800 16.042 6.144 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -1.732 17.366 4.484 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.405 17.888 4.494 1.00 0.00 H new ATOM 503 N GLU A 34 -1.287 18.997 6.309 1.00 0.00 N ATOM 504 CA GLU A 34 -0.908 19.851 7.430 1.00 0.00 C ATOM 505 C GLU A 34 -1.511 21.249 7.240 1.00 0.00 C ATOM 506 O GLU A 34 -0.824 22.265 7.155 1.00 0.00 O ATOM 507 CB GLU A 34 0.611 19.908 7.580 1.00 0.00 C ATOM 508 CG GLU A 34 0.995 20.666 8.863 1.00 0.00 C ATOM 509 CD GLU A 34 2.413 21.221 8.771 1.00 0.00 C ATOM 510 OE1 GLU A 34 2.676 22.028 7.850 1.00 0.00 O ATOM 511 OE2 GLU A 34 3.244 20.779 9.590 1.00 0.00 O ATOM 0 H GLU A 34 -0.651 19.048 5.513 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.305 19.429 8.353 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.018 18.897 7.612 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.050 20.402 6.713 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.292 21.482 9.031 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.918 19.998 9.721 1.00 0.00 H new ATOM 518 N ARG A 35 -2.832 21.309 7.062 1.00 0.00 N ATOM 519 CA ARG A 35 -3.526 22.573 6.888 1.00 0.00 C ATOM 520 C ARG A 35 -4.788 22.584 7.723 1.00 0.00 C ATOM 521 O ARG A 35 -5.010 23.512 8.489 1.00 0.00 O ATOM 522 CB ARG A 35 -3.853 22.780 5.407 1.00 0.00 C ATOM 523 CG ARG A 35 -3.479 24.204 4.976 1.00 0.00 C ATOM 524 CD ARG A 35 -4.407 24.691 3.852 1.00 0.00 C ATOM 525 NE ARG A 35 -3.836 24.405 2.521 1.00 0.00 N ATOM 526 CZ ARG A 35 -4.523 24.288 1.407 1.00 0.00 C ATOM 527 NH1 ARG A 35 -5.822 24.429 1.409 1.00 0.00 N ATOM 528 NH2 ARG A 35 -3.911 24.034 0.279 1.00 0.00 N ATOM 0 H ARG A 35 -3.439 20.490 7.035 1.00 0.00 H new ATOM 0 HA ARG A 35 -2.886 23.390 7.220 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -3.309 22.054 4.802 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -4.915 22.607 5.234 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -3.548 24.878 5.830 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -2.444 24.226 4.635 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -5.379 24.206 3.945 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -4.575 25.763 3.955 1.00 0.00 H new ATOM 0 HE ARG A 35 -2.824 24.289 2.461 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -6.312 24.632 2.281 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -6.346 24.336 0.539 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -2.897 23.926 0.262 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -4.448 23.944 -0.584 1.00 0.00 H new ATOM 542 N SER A 36 -5.647 21.586 7.502 1.00 0.00 N ATOM 543 CA SER A 36 -6.899 21.475 8.223 1.00 0.00 C ATOM 544 C SER A 36 -6.806 20.367 9.254 1.00 0.00 C ATOM 545 O SER A 36 -6.189 19.333 9.014 1.00 0.00 O ATOM 546 CB SER A 36 -8.052 21.217 7.258 1.00 0.00 C ATOM 547 OG SER A 36 -9.292 21.515 7.863 1.00 0.00 O ATOM 0 H SER A 36 -5.488 20.842 6.822 1.00 0.00 H new ATOM 0 HA SER A 36 -7.093 22.416 8.738 1.00 0.00 H new ATOM 0 HB2 SER A 36 -7.925 21.825 6.362 1.00 0.00 H new ATOM 0 HB3 SER A 36 -8.039 20.174 6.940 1.00 0.00 H new ATOM 0 HG SER A 36 -10.016 21.344 7.226 1.00 0.00 H new ATOM 553 N GLN A 37 -7.474 20.567 10.387 1.00 0.00 N ATOM 554 CA GLN A 37 -7.477 19.592 11.462 1.00 0.00 C ATOM 555 C GLN A 37 -8.793 18.841 11.464 1.00 0.00 C ATOM 556 O GLN A 37 -9.822 19.356 11.893 1.00 0.00 O ATOM 557 CB GLN A 37 -7.231 20.268 12.810 1.00 0.00 C ATOM 558 CG GLN A 37 -5.733 20.513 13.020 1.00 0.00 C ATOM 559 CD GLN A 37 -5.495 21.382 14.243 1.00 0.00 C ATOM 560 OE1 GLN A 37 -5.303 22.580 14.168 1.00 0.00 O ATOM 561 NE2 GLN A 37 -5.546 20.763 15.410 1.00 0.00 N ATOM 0 H GLN A 37 -8.023 21.405 10.580 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.667 18.882 11.298 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -7.770 21.214 12.853 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.620 19.643 13.614 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -5.217 19.560 13.139 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -5.312 20.995 12.138 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -5.708 19.757 15.447 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -5.423 21.292 16.274 1.00 0.00 H new ATOM 570 N VAL A 38 -8.764 17.615 10.956 1.00 0.00 N ATOM 571 CA VAL A 38 -9.942 16.770 10.914 1.00 0.00 C ATOM 572 C VAL A 38 -9.517 15.307 10.910 1.00 0.00 C ATOM 573 O VAL A 38 -8.409 14.955 10.503 1.00 0.00 O ATOM 574 CB VAL A 38 -10.794 17.153 9.694 1.00 0.00 C ATOM 575 CG1 VAL A 38 -10.112 16.801 8.380 1.00 0.00 C ATOM 576 CG2 VAL A 38 -12.180 16.506 9.774 1.00 0.00 C ATOM 0 H VAL A 38 -7.926 17.184 10.565 1.00 0.00 H new ATOM 0 HA VAL A 38 -10.561 16.918 11.799 1.00 0.00 H new ATOM 0 HB VAL A 38 -10.911 18.236 9.715 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -10.754 17.091 7.548 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -9.163 17.332 8.309 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -9.930 15.727 8.341 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -12.766 16.791 8.900 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -12.074 15.422 9.802 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -12.688 16.844 10.677 1.00 0.00 H new ATOM 586 N SER A 39 -10.415 14.433 11.366 1.00 0.00 N ATOM 587 CA SER A 39 -10.152 13.004 11.403 1.00 0.00 C ATOM 588 C SER A 39 -11.366 12.238 10.893 1.00 0.00 C ATOM 589 O SER A 39 -12.133 11.652 11.654 1.00 0.00 O ATOM 590 CB SER A 39 -9.769 12.572 12.811 1.00 0.00 C ATOM 591 OG SER A 39 -8.695 11.655 12.788 1.00 0.00 O ATOM 0 H SER A 39 -11.336 14.698 11.716 1.00 0.00 H new ATOM 0 HA SER A 39 -9.311 12.776 10.748 1.00 0.00 H new ATOM 0 HB2 SER A 39 -9.492 13.446 13.400 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.629 12.117 13.302 1.00 0.00 H new ATOM 0 HG SER A 39 -8.467 11.395 13.705 1.00 0.00 H new ATOM 597 N PRO A 40 -11.576 12.275 9.568 1.00 0.00 N ATOM 598 CA PRO A 40 -12.674 11.581 8.933 1.00 0.00 C ATOM 599 C PRO A 40 -12.445 10.083 8.915 1.00 0.00 C ATOM 600 O PRO A 40 -11.932 9.547 7.943 1.00 0.00 O ATOM 601 CB PRO A 40 -12.839 12.188 7.537 1.00 0.00 C ATOM 602 CG PRO A 40 -11.502 12.871 7.247 1.00 0.00 C ATOM 603 CD PRO A 40 -10.759 12.955 8.583 1.00 0.00 C ATOM 0 HA PRO A 40 -13.601 11.710 9.492 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -13.060 11.420 6.796 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -13.662 12.902 7.511 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -10.926 12.302 6.518 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -11.657 13.864 6.826 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -9.777 12.488 8.508 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -10.596 13.994 8.869 1.00 0.00 H new ATOM 611 N ARG A 41 -12.864 9.402 9.996 1.00 0.00 N ATOM 612 CA ARG A 41 -12.684 7.962 10.120 1.00 0.00 C ATOM 613 C ARG A 41 -13.171 7.292 8.845 1.00 0.00 C ATOM 614 O ARG A 41 -12.399 6.637 8.145 1.00 0.00 O ATOM 615 CB ARG A 41 -13.450 7.431 11.334 1.00 0.00 C ATOM 616 CG ARG A 41 -12.505 6.682 12.275 1.00 0.00 C ATOM 617 CD ARG A 41 -13.116 6.573 13.678 1.00 0.00 C ATOM 618 NE ARG A 41 -12.207 7.128 14.701 1.00 0.00 N ATOM 619 CZ ARG A 41 -12.370 7.025 16.002 1.00 0.00 C ATOM 620 NH1 ARG A 41 -13.404 6.395 16.491 1.00 0.00 N ATOM 621 NH2 ARG A 41 -11.501 7.556 16.823 1.00 0.00 N ATOM 0 H ARG A 41 -13.330 9.836 10.793 1.00 0.00 H new ATOM 0 HA ARG A 41 -11.628 7.737 10.266 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -13.922 8.258 11.865 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -14.249 6.766 11.006 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -12.305 5.686 11.881 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -11.548 7.202 12.328 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -14.067 7.105 13.706 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -13.328 5.528 13.905 1.00 0.00 H new ATOM 0 HE ARG A 41 -11.384 7.633 14.371 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -14.092 5.979 15.863 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -13.524 6.319 17.501 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -10.690 8.054 16.455 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -11.634 7.472 17.831 1.00 0.00 H new ATOM 635 N MET A 42 -14.472 7.450 8.576 1.00 0.00 N ATOM 636 CA MET A 42 -15.093 6.829 7.429 1.00 0.00 C ATOM 637 C MET A 42 -16.166 7.702 6.866 1.00 0.00 C ATOM 638 O MET A 42 -17.000 8.167 7.636 1.00 0.00 O ATOM 639 CB MET A 42 -15.694 5.482 7.801 1.00 0.00 C ATOM 640 CG MET A 42 -14.803 4.714 8.771 1.00 0.00 C ATOM 641 SD MET A 42 -15.294 2.992 8.867 1.00 0.00 S ATOM 642 CE MET A 42 -15.041 2.718 10.634 1.00 0.00 C ATOM 0 H MET A 42 -15.107 8.007 9.147 1.00 0.00 H new ATOM 0 HA MET A 42 -14.317 6.683 6.678 1.00 0.00 H new ATOM 0 HB2 MET A 42 -16.675 5.633 8.251 1.00 0.00 H new ATOM 0 HB3 MET A 42 -15.845 4.889 6.899 1.00 0.00 H new ATOM 0 HG2 MET A 42 -13.764 4.782 8.448 1.00 0.00 H new ATOM 0 HG3 MET A 42 -14.860 5.168 9.760 1.00 0.00 H new ATOM 0 HE1 MET A 42 -15.298 1.689 10.883 1.00 0.00 H new ATOM 0 HE2 MET A 42 -13.996 2.902 10.885 1.00 0.00 H new ATOM 0 HE3 MET A 42 -15.676 3.398 11.202 1.00 0.00 H new ATOM 652 N ARG A 43 -16.141 7.900 5.546 1.00 0.00 N ATOM 653 CA ARG A 43 -17.087 8.769 4.855 1.00 0.00 C ATOM 654 C ARG A 43 -16.602 9.133 3.478 1.00 0.00 C ATOM 655 O ARG A 43 -17.460 9.419 2.649 1.00 0.00 O ATOM 656 CB ARG A 43 -17.342 10.082 5.622 1.00 0.00 C ATOM 657 CG ARG A 43 -16.021 10.689 6.152 1.00 0.00 C ATOM 658 CD ARG A 43 -15.797 12.084 5.585 1.00 0.00 C ATOM 659 NE ARG A 43 -16.253 13.111 6.536 1.00 0.00 N ATOM 660 CZ ARG A 43 -16.409 14.386 6.250 1.00 0.00 C ATOM 661 NH1 ARG A 43 -16.166 14.831 5.044 1.00 0.00 N ATOM 662 NH2 ARG A 43 -16.814 15.223 7.173 1.00 0.00 N ATOM 0 H ARG A 43 -15.460 7.459 4.927 1.00 0.00 H new ATOM 0 HA ARG A 43 -18.013 8.197 4.791 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -17.837 10.799 4.966 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -18.018 9.893 6.456 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -16.048 10.735 7.241 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -15.185 10.044 5.881 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -14.739 12.228 5.367 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -16.334 12.190 4.643 1.00 0.00 H new ATOM 0 HE ARG A 43 -16.464 12.812 7.488 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -15.853 14.188 4.317 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -16.290 15.821 4.831 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -17.009 14.887 8.116 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -16.934 16.211 6.949 1.00 0.00 H new ATOM 676 N GLU A 44 -15.267 9.178 3.310 1.00 0.00 N ATOM 677 CA GLU A 44 -14.656 9.522 2.044 1.00 0.00 C ATOM 678 C GLU A 44 -15.391 8.825 0.907 1.00 0.00 C ATOM 679 O GLU A 44 -16.080 7.825 1.144 1.00 0.00 O ATOM 680 CB GLU A 44 -13.174 9.157 2.036 1.00 0.00 C ATOM 681 CG GLU A 44 -12.297 10.335 1.633 1.00 0.00 C ATOM 682 CD GLU A 44 -11.843 11.106 2.875 1.00 0.00 C ATOM 683 OE1 GLU A 44 -12.723 11.400 3.722 1.00 0.00 O ATOM 684 OE2 GLU A 44 -10.638 11.435 2.926 1.00 0.00 O ATOM 0 H GLU A 44 -14.598 8.976 4.053 1.00 0.00 H new ATOM 0 HA GLU A 44 -14.732 10.600 1.902 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -12.881 8.810 3.027 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -13.008 8.329 1.346 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -11.428 9.978 1.080 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -12.849 10.998 0.967 1.00 0.00 H new ATOM 691 N GLU A 45 -15.198 9.336 -0.308 1.00 0.00 N ATOM 692 CA GLU A 45 -15.854 8.773 -1.466 1.00 0.00 C ATOM 693 C GLU A 45 -15.671 7.241 -1.503 1.00 0.00 C ATOM 694 O GLU A 45 -14.915 6.598 -0.759 1.00 0.00 O ATOM 695 CB GLU A 45 -15.313 9.419 -2.750 1.00 0.00 C ATOM 696 CG GLU A 45 -16.460 9.696 -3.742 1.00 0.00 C ATOM 697 CD GLU A 45 -16.306 8.904 -5.038 1.00 0.00 C ATOM 698 OE1 GLU A 45 -15.821 7.754 -4.928 1.00 0.00 O ATOM 699 OE2 GLU A 45 -16.353 9.531 -6.115 1.00 0.00 O ATOM 0 H GLU A 45 -14.595 10.134 -0.506 1.00 0.00 H new ATOM 0 HA GLU A 45 -16.921 8.984 -1.398 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -14.802 10.351 -2.507 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -14.576 8.762 -3.212 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -17.411 9.443 -3.274 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -16.491 10.761 -3.971 1.00 0.00 H new ATOM 706 N ASP A 46 -16.319 6.607 -2.463 1.00 0.00 N ATOM 707 CA ASP A 46 -16.214 5.186 -2.663 1.00 0.00 C ATOM 708 C ASP A 46 -14.841 4.822 -3.207 1.00 0.00 C ATOM 709 O ASP A 46 -14.636 4.575 -4.387 1.00 0.00 O ATOM 710 CB ASP A 46 -17.290 4.667 -3.618 1.00 0.00 C ATOM 711 CG ASP A 46 -17.543 5.561 -4.838 1.00 0.00 C ATOM 712 OD1 ASP A 46 -18.292 6.544 -4.614 1.00 0.00 O ATOM 713 OD2 ASP A 46 -17.061 5.174 -5.935 1.00 0.00 O ATOM 0 H ASP A 46 -16.936 7.074 -3.128 1.00 0.00 H new ATOM 0 HA ASP A 46 -16.359 4.715 -1.691 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -17.002 3.674 -3.964 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -18.223 4.554 -3.067 1.00 0.00 H new ATOM 718 N HIS A 47 -13.825 4.750 -2.347 1.00 0.00 N ATOM 719 CA HIS A 47 -12.468 4.441 -2.741 1.00 0.00 C ATOM 720 C HIS A 47 -11.868 3.509 -1.731 1.00 0.00 C ATOM 721 O HIS A 47 -11.133 3.954 -0.859 1.00 0.00 O ATOM 722 CB HIS A 47 -11.648 5.713 -2.963 1.00 0.00 C ATOM 723 CG HIS A 47 -11.723 6.224 -4.374 1.00 0.00 C ATOM 724 ND1 HIS A 47 -12.904 6.530 -5.036 1.00 0.00 N ATOM 725 CD2 HIS A 47 -10.694 6.499 -5.229 1.00 0.00 C ATOM 726 CE1 HIS A 47 -12.603 6.948 -6.278 1.00 0.00 C ATOM 727 NE2 HIS A 47 -11.256 6.950 -6.411 1.00 0.00 N ATOM 0 H HIS A 47 -13.933 4.908 -1.345 1.00 0.00 H new ATOM 0 HA HIS A 47 -12.466 3.931 -3.704 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -12.000 6.489 -2.283 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -10.606 5.516 -2.709 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -9.640 6.386 -5.022 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -13.314 7.233 -7.039 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -10.741 7.236 -7.244 1.00 0.00 H new ATOM 736 N LYS A 48 -12.125 2.207 -1.873 1.00 0.00 N ATOM 737 CA LYS A 48 -11.588 1.203 -0.970 1.00 0.00 C ATOM 738 C LYS A 48 -11.612 -0.160 -1.598 1.00 0.00 C ATOM 739 O LYS A 48 -10.554 -0.663 -1.946 1.00 0.00 O ATOM 740 CB LYS A 48 -12.370 1.214 0.348 1.00 0.00 C ATOM 741 CG LYS A 48 -11.469 1.701 1.496 1.00 0.00 C ATOM 742 CD LYS A 48 -11.715 3.180 1.815 1.00 0.00 C ATOM 743 CE LYS A 48 -12.359 3.344 3.184 1.00 0.00 C ATOM 744 NZ LYS A 48 -13.609 4.123 3.078 1.00 0.00 N ATOM 0 H LYS A 48 -12.710 1.826 -2.617 1.00 0.00 H new ATOM 0 HA LYS A 48 -10.546 1.447 -0.761 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -13.240 1.864 0.258 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -12.742 0.213 0.567 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.655 1.100 2.386 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.423 1.555 1.226 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.771 3.724 1.786 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -12.358 3.618 1.052 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.569 2.364 3.613 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.667 3.846 3.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -14.318 3.732 3.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -13.421 5.116 3.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -13.969 4.070 2.104 1.00 0.00 H new ATOM 758 N GLN A 49 -12.815 -0.674 -1.884 1.00 0.00 N ATOM 759 CA GLN A 49 -12.975 -1.963 -2.526 1.00 0.00 C ATOM 760 C GLN A 49 -12.148 -2.014 -3.786 1.00 0.00 C ATOM 761 O GLN A 49 -11.772 -3.102 -4.148 1.00 0.00 O ATOM 762 CB GLN A 49 -14.442 -2.210 -2.887 1.00 0.00 C ATOM 763 CG GLN A 49 -15.014 -3.349 -2.042 1.00 0.00 C ATOM 764 CD GLN A 49 -16.530 -3.396 -2.121 1.00 0.00 C ATOM 765 OE1 GLN A 49 -17.138 -3.239 -3.162 1.00 0.00 O ATOM 766 NE2 GLN A 49 -17.161 -3.588 -0.976 1.00 0.00 N ATOM 0 H GLN A 49 -13.694 -0.202 -1.674 1.00 0.00 H new ATOM 0 HA GLN A 49 -12.643 -2.733 -1.830 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -15.021 -1.301 -2.724 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -14.526 -2.456 -3.946 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -14.602 -4.299 -2.383 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -14.707 -3.223 -1.004 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -16.629 -3.717 -0.116 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -18.181 -3.607 -0.952 1.00 0.00 H new ATOM 775 N LEU A 50 -11.802 -0.881 -4.395 1.00 0.00 N ATOM 776 CA LEU A 50 -10.950 -0.797 -5.549 1.00 0.00 C ATOM 777 C LEU A 50 -9.610 -1.459 -5.254 1.00 0.00 C ATOM 778 O LEU A 50 -9.152 -2.318 -5.983 1.00 0.00 O ATOM 779 CB LEU A 50 -10.769 0.666 -5.951 1.00 0.00 C ATOM 780 CG LEU A 50 -12.081 1.376 -6.345 1.00 0.00 C ATOM 781 CD1 LEU A 50 -12.076 2.794 -5.776 1.00 0.00 C ATOM 782 CD2 LEU A 50 -12.260 1.396 -7.859 1.00 0.00 C ATOM 0 H LEU A 50 -12.127 0.031 -4.075 1.00 0.00 H new ATOM 0 HA LEU A 50 -11.411 -1.325 -6.384 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -10.311 1.206 -5.122 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -10.074 0.718 -6.789 1.00 0.00 H new ATOM 0 HG LEU A 50 -12.924 0.825 -5.927 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -13.001 3.300 -6.052 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -11.996 2.750 -4.690 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -11.227 3.345 -6.180 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -13.193 1.902 -8.108 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -11.425 1.927 -8.317 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -12.290 0.373 -8.235 1.00 0.00 H new ATOM 794 N CYS A 51 -8.941 -1.082 -4.172 1.00 0.00 N ATOM 795 CA CYS A 51 -7.706 -1.711 -3.772 1.00 0.00 C ATOM 796 C CYS A 51 -7.939 -3.161 -3.452 1.00 0.00 C ATOM 797 O CYS A 51 -7.184 -3.980 -3.959 1.00 0.00 O ATOM 798 CB CYS A 51 -7.105 -0.988 -2.573 1.00 0.00 C ATOM 799 SG CYS A 51 -7.747 -1.371 -0.915 1.00 0.00 S ATOM 0 H CYS A 51 -9.246 -0.331 -3.553 1.00 0.00 H new ATOM 0 HA CYS A 51 -7.000 -1.649 -4.600 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -6.034 -1.189 -2.568 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -7.228 0.083 -2.736 1.00 0.00 H new ATOM 804 N CYS A 52 -9.031 -3.473 -2.741 1.00 0.00 N ATOM 805 CA CYS A 52 -9.405 -4.835 -2.425 1.00 0.00 C ATOM 806 C CYS A 52 -9.838 -5.568 -3.700 1.00 0.00 C ATOM 807 O CYS A 52 -10.069 -6.768 -3.676 1.00 0.00 O ATOM 808 CB CYS A 52 -10.481 -4.870 -1.339 1.00 0.00 C ATOM 809 SG CYS A 52 -9.802 -4.675 0.333 1.00 0.00 S ATOM 0 H CYS A 52 -9.676 -2.774 -2.372 1.00 0.00 H new ATOM 0 HA CYS A 52 -8.539 -5.359 -2.021 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -11.205 -4.077 -1.526 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -11.020 -5.815 -1.399 1.00 0.00 H new ATOM 814 N MET A 53 -9.911 -4.858 -4.828 1.00 0.00 N ATOM 815 CA MET A 53 -10.378 -5.374 -6.078 1.00 0.00 C ATOM 816 C MET A 53 -9.209 -6.047 -6.745 1.00 0.00 C ATOM 817 O MET A 53 -9.192 -7.261 -6.901 1.00 0.00 O ATOM 818 CB MET A 53 -10.914 -4.256 -6.967 1.00 0.00 C ATOM 819 CG MET A 53 -11.930 -4.777 -7.955 1.00 0.00 C ATOM 820 SD MET A 53 -11.503 -4.277 -9.643 1.00 0.00 S ATOM 821 CE MET A 53 -10.254 -5.544 -9.998 1.00 0.00 C ATOM 0 H MET A 53 -9.633 -3.878 -4.878 1.00 0.00 H new ATOM 0 HA MET A 53 -11.195 -6.076 -5.913 1.00 0.00 H new ATOM 0 HB2 MET A 53 -11.370 -3.483 -6.348 1.00 0.00 H new ATOM 0 HB3 MET A 53 -10.089 -3.789 -7.504 1.00 0.00 H new ATOM 0 HG2 MET A 53 -11.978 -5.864 -7.894 1.00 0.00 H new ATOM 0 HG3 MET A 53 -12.920 -4.399 -7.699 1.00 0.00 H new ATOM 0 HE1 MET A 53 -10.239 -5.751 -11.068 1.00 0.00 H new ATOM 0 HE2 MET A 53 -9.273 -5.186 -9.684 1.00 0.00 H new ATOM 0 HE3 MET A 53 -10.498 -6.457 -9.455 1.00 0.00 H new ATOM 831 N GLN A 54 -8.217 -5.262 -7.180 1.00 0.00 N ATOM 832 CA GLN A 54 -7.061 -5.800 -7.861 1.00 0.00 C ATOM 833 C GLN A 54 -6.268 -6.662 -6.907 1.00 0.00 C ATOM 834 O GLN A 54 -5.584 -7.568 -7.346 1.00 0.00 O ATOM 835 CB GLN A 54 -6.168 -4.684 -8.369 1.00 0.00 C ATOM 836 CG GLN A 54 -6.438 -4.361 -9.830 1.00 0.00 C ATOM 837 CD GLN A 54 -7.321 -3.131 -9.997 1.00 0.00 C ATOM 838 OE1 GLN A 54 -7.678 -2.414 -9.073 1.00 0.00 O ATOM 839 NE2 GLN A 54 -7.735 -2.890 -11.226 1.00 0.00 N ATOM 0 H GLN A 54 -8.203 -4.248 -7.066 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.407 -6.393 -8.708 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -6.325 -3.790 -7.765 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -5.124 -4.971 -8.248 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -5.491 -4.198 -10.345 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -6.917 -5.217 -10.306 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -7.434 -3.492 -11.993 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -8.356 -2.102 -11.410 1.00 0.00 H new ATOM 848 N LEU A 55 -6.345 -6.418 -5.605 1.00 0.00 N ATOM 849 CA LEU A 55 -5.665 -7.231 -4.620 1.00 0.00 C ATOM 850 C LEU A 55 -6.094 -8.681 -4.769 1.00 0.00 C ATOM 851 O LEU A 55 -5.287 -9.572 -4.573 1.00 0.00 O ATOM 852 CB LEU A 55 -5.974 -6.702 -3.237 1.00 0.00 C ATOM 853 CG LEU A 55 -4.887 -5.795 -2.627 1.00 0.00 C ATOM 854 CD1 LEU A 55 -5.477 -4.608 -1.851 1.00 0.00 C ATOM 855 CD2 LEU A 55 -3.924 -6.590 -1.748 1.00 0.00 C ATOM 0 H LEU A 55 -6.883 -5.648 -5.207 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.587 -7.183 -4.773 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.910 -6.144 -3.279 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.137 -7.548 -2.569 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.326 -5.383 -3.466 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.668 -4.002 -1.443 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.083 -3.999 -2.522 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.099 -4.979 -1.037 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.171 -5.919 -1.334 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.477 -7.060 -0.935 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.436 -7.359 -2.347 1.00 0.00 H new ATOM 867 N LYS A 56 -7.323 -8.930 -5.226 1.00 0.00 N ATOM 868 CA LYS A 56 -7.791 -10.275 -5.499 1.00 0.00 C ATOM 869 C LYS A 56 -7.078 -10.863 -6.720 1.00 0.00 C ATOM 870 O LYS A 56 -6.993 -12.067 -6.880 1.00 0.00 O ATOM 871 CB LYS A 56 -9.316 -10.247 -5.635 1.00 0.00 C ATOM 872 CG LYS A 56 -9.858 -11.640 -5.983 1.00 0.00 C ATOM 873 CD LYS A 56 -10.896 -12.101 -4.964 1.00 0.00 C ATOM 874 CE LYS A 56 -11.127 -13.610 -5.080 1.00 0.00 C ATOM 875 NZ LYS A 56 -11.886 -14.098 -3.908 1.00 0.00 N ATOM 0 H LYS A 56 -8.013 -8.203 -5.414 1.00 0.00 H new ATOM 0 HA LYS A 56 -7.545 -10.941 -4.672 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -9.762 -9.901 -4.703 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -9.604 -9.536 -6.410 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -10.305 -11.621 -6.977 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -9.036 -12.355 -6.017 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -10.560 -11.855 -3.957 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -11.834 -11.570 -5.126 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -11.674 -13.833 -5.996 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -10.170 -14.129 -5.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -12.038 -15.123 -3.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -11.349 -13.900 -3.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -12.806 -13.614 -3.864 1.00 0.00 H new ATOM 889 N ASN A 57 -6.639 -10.013 -7.639 1.00 0.00 N ATOM 890 CA ASN A 57 -5.865 -10.421 -8.785 1.00 0.00 C ATOM 891 C ASN A 57 -4.418 -10.739 -8.403 1.00 0.00 C ATOM 892 O ASN A 57 -3.715 -11.375 -9.181 1.00 0.00 O ATOM 893 CB ASN A 57 -5.876 -9.311 -9.844 1.00 0.00 C ATOM 894 CG ASN A 57 -6.807 -9.638 -10.976 1.00 0.00 C ATOM 895 OD1 ASN A 57 -6.596 -10.530 -11.772 1.00 0.00 O ATOM 896 ND2 ASN A 57 -7.906 -8.910 -11.037 1.00 0.00 N ATOM 0 H ASN A 57 -6.817 -9.009 -7.601 1.00 0.00 H new ATOM 0 HA ASN A 57 -6.320 -11.326 -9.187 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -6.178 -8.370 -9.383 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.867 -9.167 -10.231 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -8.599 -9.092 -11.763 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -8.063 -8.165 -10.358 1.00 0.00 H new ATOM 903 N LEU A 58 -3.953 -10.198 -7.274 1.00 0.00 N ATOM 904 CA LEU A 58 -2.622 -10.448 -6.798 1.00 0.00 C ATOM 905 C LEU A 58 -2.522 -11.849 -6.201 1.00 0.00 C ATOM 906 O LEU A 58 -3.518 -12.534 -5.969 1.00 0.00 O ATOM 907 CB LEU A 58 -2.216 -9.341 -5.814 1.00 0.00 C ATOM 908 CG LEU A 58 -1.345 -8.247 -6.427 1.00 0.00 C ATOM 909 CD1 LEU A 58 -0.776 -7.349 -5.327 1.00 0.00 C ATOM 910 CD2 LEU A 58 -0.209 -8.840 -7.211 1.00 0.00 C ATOM 0 H LEU A 58 -4.500 -9.578 -6.677 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.915 -10.421 -7.627 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.118 -8.885 -5.405 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.680 -9.792 -4.979 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.971 -7.659 -7.099 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.156 -6.572 -5.775 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.594 -6.887 -4.775 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.171 -7.947 -4.646 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.396 -8.040 -7.637 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.409 -9.450 -6.552 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.606 -9.461 -8.014 1.00 0.00 H new ATOM 922 N ASP A 59 -1.291 -12.268 -5.924 1.00 0.00 N ATOM 923 CA ASP A 59 -1.042 -13.584 -5.373 1.00 0.00 C ATOM 924 C ASP A 59 -1.217 -13.505 -3.884 1.00 0.00 C ATOM 925 O ASP A 59 -0.667 -12.597 -3.280 1.00 0.00 O ATOM 926 CB ASP A 59 0.378 -14.050 -5.703 1.00 0.00 C ATOM 927 CG ASP A 59 0.420 -15.467 -6.276 1.00 0.00 C ATOM 928 OD1 ASP A 59 0.567 -16.401 -5.455 1.00 0.00 O ATOM 929 OD2 ASP A 59 0.396 -15.576 -7.519 1.00 0.00 O ATOM 0 H ASP A 59 -0.452 -11.709 -6.075 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.740 -14.301 -5.805 1.00 0.00 H new ATOM 0 HB2 ASP A 59 0.824 -13.360 -6.419 1.00 0.00 H new ATOM 0 HB3 ASP A 59 0.987 -14.010 -4.800 1.00 0.00 H new ATOM 934 N GLU A 60 -1.881 -14.468 -3.264 1.00 0.00 N ATOM 935 CA GLU A 60 -2.091 -14.493 -1.826 1.00 0.00 C ATOM 936 C GLU A 60 -0.763 -14.358 -1.081 1.00 0.00 C ATOM 937 O GLU A 60 -0.653 -13.660 -0.074 1.00 0.00 O ATOM 938 CB GLU A 60 -2.753 -15.812 -1.421 1.00 0.00 C ATOM 939 CG GLU A 60 -3.718 -15.584 -0.250 1.00 0.00 C ATOM 940 CD GLU A 60 -3.308 -16.400 0.972 1.00 0.00 C ATOM 941 OE1 GLU A 60 -2.217 -16.122 1.514 1.00 0.00 O ATOM 942 OE2 GLU A 60 -4.066 -17.325 1.330 1.00 0.00 O ATOM 0 H GLU A 60 -2.294 -15.263 -3.751 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.735 -13.654 -1.563 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.293 -16.232 -2.270 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -1.991 -16.538 -1.137 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.738 -14.525 0.007 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.729 -15.858 -0.551 1.00 0.00 H new ATOM 949 N LYS A 61 0.308 -14.926 -1.656 1.00 0.00 N ATOM 950 CA LYS A 61 1.633 -14.802 -1.098 1.00 0.00 C ATOM 951 C LYS A 61 2.137 -13.407 -1.310 1.00 0.00 C ATOM 952 O LYS A 61 2.876 -12.951 -0.480 1.00 0.00 O ATOM 953 CB LYS A 61 2.552 -15.855 -1.718 1.00 0.00 C ATOM 954 CG LYS A 61 2.830 -16.963 -0.688 1.00 0.00 C ATOM 955 CD LYS A 61 4.001 -17.842 -1.150 1.00 0.00 C ATOM 956 CE LYS A 61 4.382 -18.845 -0.056 1.00 0.00 C ATOM 957 NZ LYS A 61 5.705 -19.439 -0.347 1.00 0.00 N ATOM 0 H LYS A 61 0.265 -15.477 -2.513 1.00 0.00 H new ATOM 0 HA LYS A 61 1.611 -14.982 -0.023 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.088 -16.279 -2.608 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.488 -15.395 -2.035 1.00 0.00 H new ATOM 0 HG2 LYS A 61 3.061 -16.519 0.280 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.938 -17.575 -0.554 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.727 -18.375 -2.061 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.860 -17.216 -1.393 1.00 0.00 H new ATOM 0 HE2 LYS A 61 4.404 -18.346 0.913 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.628 -19.630 0.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.953 -20.117 0.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.671 -19.931 -1.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.423 -18.687 -0.384 1.00 0.00 H new ATOM 971 N CYS A 62 1.840 -12.751 -2.421 1.00 0.00 N ATOM 972 CA CYS A 62 2.169 -11.371 -2.672 1.00 0.00 C ATOM 973 C CYS A 62 1.246 -10.433 -1.886 1.00 0.00 C ATOM 974 O CYS A 62 1.563 -9.269 -1.697 1.00 0.00 O ATOM 975 CB CYS A 62 2.083 -11.085 -4.166 1.00 0.00 C ATOM 976 SG CYS A 62 3.040 -12.187 -5.229 1.00 0.00 S ATOM 0 H CYS A 62 1.344 -13.189 -3.197 1.00 0.00 H new ATOM 0 HA CYS A 62 3.189 -11.189 -2.334 1.00 0.00 H new ATOM 0 HB2 CYS A 62 1.037 -11.137 -4.468 1.00 0.00 H new ATOM 0 HB3 CYS A 62 2.415 -10.062 -4.341 1.00 0.00 H new ATOM 981 N MET A 63 0.170 -10.934 -1.301 1.00 0.00 N ATOM 982 CA MET A 63 -0.775 -10.165 -0.550 1.00 0.00 C ATOM 983 C MET A 63 -0.319 -10.108 0.877 1.00 0.00 C ATOM 984 O MET A 63 -0.937 -10.609 1.775 1.00 0.00 O ATOM 985 CB MET A 63 -2.140 -10.792 -0.663 1.00 0.00 C ATOM 986 CG MET A 63 -2.711 -10.683 -2.056 1.00 0.00 C ATOM 987 SD MET A 63 -4.482 -10.458 -1.988 1.00 0.00 S ATOM 988 CE MET A 63 -4.958 -11.944 -1.084 1.00 0.00 C ATOM 0 H MET A 63 -0.066 -11.925 -1.345 1.00 0.00 H new ATOM 0 HA MET A 63 -0.840 -9.149 -0.941 1.00 0.00 H new ATOM 0 HB2 MET A 63 -2.078 -11.843 -0.380 1.00 0.00 H new ATOM 0 HB3 MET A 63 -2.817 -10.311 0.043 1.00 0.00 H new ATOM 0 HG2 MET A 63 -2.251 -9.845 -2.580 1.00 0.00 H new ATOM 0 HG3 MET A 63 -2.474 -11.582 -2.624 1.00 0.00 H new ATOM 0 HE1 MET A 63 -6.008 -11.876 -0.800 1.00 0.00 H new ATOM 0 HE2 MET A 63 -4.809 -12.819 -1.717 1.00 0.00 H new ATOM 0 HE3 MET A 63 -4.345 -12.037 -0.188 1.00 0.00 H new ATOM 998 N CYS A 64 0.790 -9.453 1.152 1.00 0.00 N ATOM 999 CA CYS A 64 1.371 -9.336 2.484 1.00 0.00 C ATOM 1000 C CYS A 64 2.763 -8.745 2.362 1.00 0.00 C ATOM 1001 O CYS A 64 3.030 -7.693 2.935 1.00 0.00 O ATOM 1002 CB CYS A 64 1.404 -10.678 3.235 1.00 0.00 C ATOM 1003 SG CYS A 64 2.922 -11.026 4.191 1.00 0.00 S ATOM 0 H CYS A 64 1.333 -8.970 0.436 1.00 0.00 H new ATOM 0 HA CYS A 64 0.738 -8.676 3.077 1.00 0.00 H new ATOM 0 HB2 CYS A 64 0.554 -10.711 3.917 1.00 0.00 H new ATOM 0 HB3 CYS A 64 1.263 -11.480 2.511 1.00 0.00 H new ATOM 1008 N PRO A 65 3.640 -9.424 1.605 1.00 0.00 N ATOM 1009 CA PRO A 65 4.997 -8.987 1.387 1.00 0.00 C ATOM 1010 C PRO A 65 5.062 -7.822 0.416 1.00 0.00 C ATOM 1011 O PRO A 65 5.937 -6.971 0.517 1.00 0.00 O ATOM 1012 CB PRO A 65 5.788 -10.201 0.889 1.00 0.00 C ATOM 1013 CG PRO A 65 4.739 -11.164 0.379 1.00 0.00 C ATOM 1014 CD PRO A 65 3.397 -10.662 0.907 1.00 0.00 C ATOM 0 HA PRO A 65 5.432 -8.613 2.314 1.00 0.00 H new ATOM 0 HB2 PRO A 65 6.486 -9.922 0.099 1.00 0.00 H new ATOM 0 HB3 PRO A 65 6.376 -10.646 1.691 1.00 0.00 H new ATOM 0 HG2 PRO A 65 4.740 -11.197 -0.711 1.00 0.00 H new ATOM 0 HG3 PRO A 65 4.939 -12.177 0.729 1.00 0.00 H new ATOM 0 HD2 PRO A 65 2.696 -10.508 0.087 1.00 0.00 H new ATOM 0 HD3 PRO A 65 2.949 -11.397 1.576 1.00 0.00 H new ATOM 1022 N ALA A 66 4.097 -7.761 -0.492 1.00 0.00 N ATOM 1023 CA ALA A 66 4.024 -6.709 -1.461 1.00 0.00 C ATOM 1024 C ALA A 66 3.474 -5.480 -0.795 1.00 0.00 C ATOM 1025 O ALA A 66 4.046 -4.431 -0.981 1.00 0.00 O ATOM 1026 CB ALA A 66 3.142 -7.150 -2.614 1.00 0.00 C ATOM 0 H ALA A 66 3.347 -8.448 -0.566 1.00 0.00 H new ATOM 0 HA ALA A 66 5.013 -6.481 -1.858 1.00 0.00 H new ATOM 0 HB1 ALA A 66 3.084 -6.352 -3.354 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.565 -8.042 -3.075 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.142 -7.374 -2.242 1.00 0.00 H new ATOM 1032 N ILE A 67 2.433 -5.596 0.024 1.00 0.00 N ATOM 1033 CA ILE A 67 1.820 -4.471 0.714 1.00 0.00 C ATOM 1034 C ILE A 67 2.903 -3.508 1.215 1.00 0.00 C ATOM 1035 O ILE A 67 2.802 -2.298 1.069 1.00 0.00 O ATOM 1036 CB ILE A 67 0.972 -4.985 1.877 1.00 0.00 C ATOM 1037 CG1 ILE A 67 -0.152 -5.913 1.359 1.00 0.00 C ATOM 1038 CG2 ILE A 67 0.441 -3.797 2.693 1.00 0.00 C ATOM 1039 CD1 ILE A 67 -1.534 -5.328 1.571 1.00 0.00 C ATOM 0 H ILE A 67 1.986 -6.490 0.229 1.00 0.00 H new ATOM 0 HA ILE A 67 1.175 -3.929 0.023 1.00 0.00 H new ATOM 0 HB ILE A 67 1.585 -5.589 2.546 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.001 -6.103 0.296 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -0.087 -6.875 1.867 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -0.163 -4.166 3.522 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.279 -3.220 3.084 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -0.170 -3.160 2.053 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.285 -6.020 1.189 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -1.700 -5.163 2.636 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.613 -4.379 1.041 1.00 0.00 H new ATOM 1051 N MET A 68 3.993 -4.051 1.756 1.00 0.00 N ATOM 1052 CA MET A 68 5.129 -3.258 2.165 1.00 0.00 C ATOM 1053 C MET A 68 5.661 -2.389 1.043 1.00 0.00 C ATOM 1054 O MET A 68 5.526 -1.173 1.138 1.00 0.00 O ATOM 1055 CB MET A 68 6.236 -4.172 2.656 1.00 0.00 C ATOM 1056 CG MET A 68 5.769 -5.005 3.842 1.00 0.00 C ATOM 1057 SD MET A 68 6.355 -6.705 3.722 1.00 0.00 S ATOM 1058 CE MET A 68 7.471 -6.756 5.118 1.00 0.00 C ATOM 0 H MET A 68 4.104 -5.052 1.919 1.00 0.00 H new ATOM 0 HA MET A 68 4.793 -2.598 2.964 1.00 0.00 H new ATOM 0 HB2 MET A 68 6.555 -4.830 1.848 1.00 0.00 H new ATOM 0 HB3 MET A 68 7.103 -3.577 2.943 1.00 0.00 H new ATOM 0 HG2 MET A 68 6.131 -4.558 4.768 1.00 0.00 H new ATOM 0 HG3 MET A 68 4.680 -4.996 3.889 1.00 0.00 H new ATOM 0 HE1 MET A 68 7.361 -7.708 5.637 1.00 0.00 H new ATOM 0 HE2 MET A 68 8.498 -6.650 4.767 1.00 0.00 H new ATOM 0 HE3 MET A 68 7.236 -5.941 5.802 1.00 0.00 H new ATOM 1068 N MET A 69 6.152 -3.016 -0.028 1.00 0.00 N ATOM 1069 CA MET A 69 6.632 -2.321 -1.190 1.00 0.00 C ATOM 1070 C MET A 69 5.586 -1.401 -1.786 1.00 0.00 C ATOM 1071 O MET A 69 5.958 -0.408 -2.383 1.00 0.00 O ATOM 1072 CB MET A 69 7.069 -3.336 -2.240 1.00 0.00 C ATOM 1073 CG MET A 69 8.437 -3.914 -1.918 1.00 0.00 C ATOM 1074 SD MET A 69 9.697 -2.606 -1.887 1.00 0.00 S ATOM 1075 CE MET A 69 10.540 -2.984 -3.433 1.00 0.00 C ATOM 0 H MET A 69 6.222 -4.031 -0.098 1.00 0.00 H new ATOM 0 HA MET A 69 7.474 -1.702 -0.878 1.00 0.00 H new ATOM 0 HB2 MET A 69 6.336 -4.141 -2.297 1.00 0.00 H new ATOM 0 HB3 MET A 69 7.095 -2.859 -3.220 1.00 0.00 H new ATOM 0 HG2 MET A 69 8.406 -4.418 -0.952 1.00 0.00 H new ATOM 0 HG3 MET A 69 8.704 -4.665 -2.661 1.00 0.00 H new ATOM 0 HE1 MET A 69 11.428 -2.359 -3.526 1.00 0.00 H new ATOM 0 HE2 MET A 69 10.833 -4.034 -3.440 1.00 0.00 H new ATOM 0 HE3 MET A 69 9.870 -2.789 -4.270 1.00 0.00 H new ATOM 1085 N MET A 70 4.308 -1.678 -1.553 1.00 0.00 N ATOM 1086 CA MET A 70 3.235 -0.877 -2.052 1.00 0.00 C ATOM 1087 C MET A 70 3.372 0.520 -1.491 1.00 0.00 C ATOM 1088 O MET A 70 2.841 1.469 -2.049 1.00 0.00 O ATOM 1089 CB MET A 70 1.907 -1.545 -1.704 1.00 0.00 C ATOM 1090 CG MET A 70 0.929 -0.635 -0.989 1.00 0.00 C ATOM 1091 SD MET A 70 -0.002 -1.447 0.294 1.00 0.00 S ATOM 1092 CE MET A 70 -0.990 -0.099 0.912 1.00 0.00 C ATOM 0 H MET A 70 4.001 -2.480 -1.003 1.00 0.00 H new ATOM 0 HA MET A 70 3.267 -0.792 -3.138 1.00 0.00 H new ATOM 0 HB2 MET A 70 1.444 -1.910 -2.621 1.00 0.00 H new ATOM 0 HB3 MET A 70 2.103 -2.415 -1.077 1.00 0.00 H new ATOM 0 HG2 MET A 70 1.476 0.201 -0.554 1.00 0.00 H new ATOM 0 HG3 MET A 70 0.236 -0.217 -1.719 1.00 0.00 H new ATOM 0 HE1 MET A 70 -2.003 -0.451 1.109 1.00 0.00 H new ATOM 0 HE2 MET A 70 -0.552 0.280 1.835 1.00 0.00 H new ATOM 0 HE3 MET A 70 -1.021 0.699 0.171 1.00 0.00 H new ATOM 1102 N LEU A 71 3.728 0.602 -0.201 1.00 0.00 N ATOM 1103 CA LEU A 71 3.807 1.851 0.513 1.00 0.00 C ATOM 1104 C LEU A 71 5.269 2.258 0.603 1.00 0.00 C ATOM 1105 O LEU A 71 5.678 2.913 1.556 1.00 0.00 O ATOM 1106 CB LEU A 71 3.121 1.747 1.866 1.00 0.00 C ATOM 1107 CG LEU A 71 1.638 1.441 1.817 1.00 0.00 C ATOM 1108 CD1 LEU A 71 1.048 1.463 3.226 1.00 0.00 C ATOM 1109 CD2 LEU A 71 0.872 2.394 0.896 1.00 0.00 C ATOM 0 H LEU A 71 3.968 -0.211 0.366 1.00 0.00 H new ATOM 0 HA LEU A 71 3.271 2.636 -0.020 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.617 0.970 2.448 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.264 2.686 2.401 1.00 0.00 H new ATOM 0 HG LEU A 71 1.528 0.441 1.396 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.018 1.242 3.177 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.547 0.714 3.841 1.00 0.00 H new ATOM 0 HD13 LEU A 71 1.194 2.449 3.666 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.186 2.130 0.898 1.00 0.00 H new ATOM 0 HD22 LEU A 71 0.991 3.418 1.251 1.00 0.00 H new ATOM 0 HD23 LEU A 71 1.264 2.314 -0.118 1.00 0.00 H new ATOM 1121 N ASN A 72 6.066 1.865 -0.389 1.00 0.00 N ATOM 1122 CA ASN A 72 7.464 2.209 -0.470 1.00 0.00 C ATOM 1123 C ASN A 72 7.805 2.786 -1.834 1.00 0.00 C ATOM 1124 O ASN A 72 8.973 2.971 -2.162 1.00 0.00 O ATOM 1125 CB ASN A 72 8.312 0.971 -0.202 1.00 0.00 C ATOM 1126 CG ASN A 72 8.234 0.554 1.242 1.00 0.00 C ATOM 1127 OD1 ASN A 72 8.049 -0.586 1.594 1.00 0.00 O ATOM 1128 ND2 ASN A 72 8.507 1.477 2.137 1.00 0.00 N ATOM 0 H ASN A 72 5.743 1.289 -1.167 1.00 0.00 H new ATOM 0 HA ASN A 72 7.678 2.968 0.283 1.00 0.00 H new ATOM 0 HB2 ASN A 72 7.974 0.152 -0.837 1.00 0.00 H new ATOM 0 HB3 ASN A 72 9.349 1.174 -0.468 1.00 0.00 H new ATOM 0 HD21 ASN A 72 8.562 1.229 3.125 1.00 0.00 H new ATOM 0 HD22 ASN A 72 8.664 2.441 1.844 1.00 0.00 H new ATOM 1135 N GLU A 73 6.780 3.030 -2.637 1.00 0.00 N ATOM 1136 CA GLU A 73 6.946 3.497 -3.986 1.00 0.00 C ATOM 1137 C GLU A 73 7.183 4.999 -3.958 1.00 0.00 C ATOM 1138 O GLU A 73 7.294 5.613 -2.890 1.00 0.00 O ATOM 1139 CB GLU A 73 5.724 3.126 -4.836 1.00 0.00 C ATOM 1140 CG GLU A 73 4.905 1.997 -4.285 1.00 0.00 C ATOM 1141 CD GLU A 73 4.093 1.297 -5.348 1.00 0.00 C ATOM 1142 OE1 GLU A 73 3.863 1.922 -6.397 1.00 0.00 O ATOM 1143 OE2 GLU A 73 3.692 0.149 -5.090 1.00 0.00 O ATOM 0 H GLU A 73 5.807 2.905 -2.359 1.00 0.00 H new ATOM 0 HA GLU A 73 7.809 3.017 -4.446 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.087 4.005 -4.938 1.00 0.00 H new ATOM 0 HB3 GLU A 73 6.061 2.859 -5.838 1.00 0.00 H new ATOM 0 HG2 GLU A 73 5.565 1.276 -3.803 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.235 2.381 -3.515 1.00 0.00 H new ATOM 1150 N PRO A 74 7.241 5.624 -5.150 1.00 0.00 N ATOM 1151 CA PRO A 74 7.406 7.053 -5.292 1.00 0.00 C ATOM 1152 C PRO A 74 6.161 7.837 -4.905 1.00 0.00 C ATOM 1153 O PRO A 74 5.754 8.768 -5.584 1.00 0.00 O ATOM 1154 CB PRO A 74 7.859 7.295 -6.736 1.00 0.00 C ATOM 1155 CG PRO A 74 7.432 6.052 -7.507 1.00 0.00 C ATOM 1156 CD PRO A 74 7.106 5.007 -6.461 1.00 0.00 C ATOM 0 HA PRO A 74 8.158 7.425 -4.596 1.00 0.00 H new ATOM 0 HB2 PRO A 74 7.396 8.192 -7.148 1.00 0.00 H new ATOM 0 HB3 PRO A 74 8.938 7.440 -6.790 1.00 0.00 H new ATOM 0 HG2 PRO A 74 6.565 6.260 -8.135 1.00 0.00 H new ATOM 0 HG3 PRO A 74 8.229 5.709 -8.167 1.00 0.00 H new ATOM 0 HD2 PRO A 74 6.093 4.630 -6.602 1.00 0.00 H new ATOM 0 HD3 PRO A 74 7.779 4.154 -6.552 1.00 0.00 H new ATOM 1164 N MET A 75 5.546 7.464 -3.791 1.00 0.00 N ATOM 1165 CA MET A 75 4.341 8.084 -3.320 1.00 0.00 C ATOM 1166 C MET A 75 3.952 7.538 -1.979 1.00 0.00 C ATOM 1167 O MET A 75 2.782 7.570 -1.671 1.00 0.00 O ATOM 1168 CB MET A 75 3.227 7.865 -4.351 1.00 0.00 C ATOM 1169 CG MET A 75 2.636 9.207 -4.759 1.00 0.00 C ATOM 1170 SD MET A 75 1.818 10.019 -3.353 1.00 0.00 S ATOM 1171 CE MET A 75 0.197 10.302 -4.090 1.00 0.00 C ATOM 0 H MET A 75 5.884 6.712 -3.190 1.00 0.00 H new ATOM 0 HA MET A 75 4.507 9.154 -3.199 1.00 0.00 H new ATOM 0 HB2 MET A 75 3.624 7.350 -5.226 1.00 0.00 H new ATOM 0 HB3 MET A 75 2.450 7.227 -3.931 1.00 0.00 H new ATOM 0 HG2 MET A 75 3.425 9.852 -5.146 1.00 0.00 H new ATOM 0 HG3 MET A 75 1.918 9.061 -5.566 1.00 0.00 H new ATOM 0 HE1 MET A 75 -0.450 10.798 -3.367 1.00 0.00 H new ATOM 0 HE2 MET A 75 0.304 10.932 -4.973 1.00 0.00 H new ATOM 0 HE3 MET A 75 -0.244 9.347 -4.377 1.00 0.00 H new ATOM 1181 N TRP A 76 4.894 7.041 -1.180 1.00 0.00 N ATOM 1182 CA TRP A 76 4.626 6.470 0.119 1.00 0.00 C ATOM 1183 C TRP A 76 5.895 6.460 0.953 1.00 0.00 C ATOM 1184 O TRP A 76 6.697 5.531 0.906 1.00 0.00 O ATOM 1185 CB TRP A 76 4.029 5.082 -0.029 1.00 0.00 C ATOM 1186 CG TRP A 76 2.696 5.006 -0.704 1.00 0.00 C ATOM 1187 CD1 TRP A 76 2.366 4.434 -1.887 1.00 0.00 C ATOM 1188 CD2 TRP A 76 1.471 5.649 -0.272 1.00 0.00 C ATOM 1189 NE1 TRP A 76 1.036 4.645 -2.208 1.00 0.00 N ATOM 1190 CE2 TRP A 76 0.451 5.426 -1.252 1.00 0.00 C ATOM 1191 CE3 TRP A 76 1.157 6.435 0.865 1.00 0.00 C ATOM 1192 CZ2 TRP A 76 -0.840 5.939 -1.104 1.00 0.00 C ATOM 1193 CZ3 TRP A 76 -0.126 6.982 0.979 1.00 0.00 C ATOM 1194 CH2 TRP A 76 -1.100 6.715 0.030 1.00 0.00 C ATOM 0 H TRP A 76 5.882 7.028 -1.432 1.00 0.00 H new ATOM 0 HA TRP A 76 3.893 7.084 0.642 1.00 0.00 H new ATOM 0 HB2 TRP A 76 4.732 4.464 -0.588 1.00 0.00 H new ATOM 0 HB3 TRP A 76 3.936 4.641 0.964 1.00 0.00 H new ATOM 0 HD1 TRP A 76 3.057 3.880 -2.505 1.00 0.00 H new ATOM 0 HE1 TRP A 76 0.565 4.274 -3.033 1.00 0.00 H new ATOM 0 HE3 TRP A 76 1.897 6.609 1.632 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -1.608 5.744 -1.838 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -0.360 7.621 1.818 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -2.092 7.119 0.171 1.00 0.00 H new ATOM 1205 N ILE A 77 6.130 7.549 1.695 1.00 0.00 N ATOM 1206 CA ILE A 77 7.372 7.732 2.437 1.00 0.00 C ATOM 1207 C ILE A 77 6.988 8.200 3.828 1.00 0.00 C ATOM 1208 O ILE A 77 6.556 7.436 4.660 1.00 0.00 O ATOM 1209 CB ILE A 77 8.358 8.685 1.734 1.00 0.00 C ATOM 1210 CG1 ILE A 77 8.946 8.051 0.466 1.00 0.00 C ATOM 1211 CG2 ILE A 77 9.482 9.121 2.693 1.00 0.00 C ATOM 1212 CD1 ILE A 77 7.892 7.923 -0.632 1.00 0.00 C ATOM 0 H ILE A 77 5.468 8.319 1.794 1.00 0.00 H new ATOM 0 HA ILE A 77 7.918 6.790 2.493 1.00 0.00 H new ATOM 0 HB ILE A 77 7.798 9.571 1.435 1.00 0.00 H new ATOM 0 HG12 ILE A 77 9.777 8.657 0.106 1.00 0.00 H new ATOM 0 HG13 ILE A 77 9.349 7.066 0.703 1.00 0.00 H new ATOM 0 HG21 ILE A 77 10.164 9.793 2.172 1.00 0.00 H new ATOM 0 HG22 ILE A 77 9.049 9.636 3.551 1.00 0.00 H new ATOM 0 HG23 ILE A 77 10.029 8.243 3.036 1.00 0.00 H new ATOM 0 HD11 ILE A 77 8.341 7.470 -1.516 1.00 0.00 H new ATOM 0 HD12 ILE A 77 7.073 7.296 -0.279 1.00 0.00 H new ATOM 0 HD13 ILE A 77 7.509 8.911 -0.885 1.00 0.00 H new ATOM 1224 N ARG A 78 7.107 9.477 4.122 1.00 0.00 N ATOM 1225 CA ARG A 78 6.847 10.023 5.429 1.00 0.00 C ATOM 1226 C ARG A 78 5.384 10.054 5.622 1.00 0.00 C ATOM 1227 O ARG A 78 4.928 9.523 6.580 1.00 0.00 O ATOM 1228 CB ARG A 78 7.396 11.435 5.557 1.00 0.00 C ATOM 1229 CG ARG A 78 6.881 12.346 4.428 1.00 0.00 C ATOM 1230 CD ARG A 78 7.813 13.523 4.197 1.00 0.00 C ATOM 1231 NE ARG A 78 7.532 14.593 5.169 1.00 0.00 N ATOM 1232 CZ ARG A 78 6.466 15.371 5.154 1.00 0.00 C ATOM 1233 NH1 ARG A 78 5.553 15.238 4.224 1.00 0.00 N ATOM 1234 NH2 ARG A 78 6.312 16.295 6.066 1.00 0.00 N ATOM 0 H ARG A 78 7.394 10.178 3.439 1.00 0.00 H new ATOM 0 HA ARG A 78 7.335 9.403 6.181 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.108 11.852 6.522 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.485 11.406 5.534 1.00 0.00 H new ATOM 0 HG2 ARG A 78 6.786 11.769 3.508 1.00 0.00 H new ATOM 0 HG3 ARG A 78 5.886 12.712 4.679 1.00 0.00 H new ATOM 0 HD2 ARG A 78 8.850 13.199 4.291 1.00 0.00 H new ATOM 0 HD3 ARG A 78 7.688 13.901 3.182 1.00 0.00 H new ATOM 0 HE ARG A 78 8.214 14.745 5.912 1.00 0.00 H new ATOM 0 HH11 ARG A 78 5.662 14.527 3.501 1.00 0.00 H new ATOM 0 HH12 ARG A 78 4.734 15.845 4.223 1.00 0.00 H new ATOM 0 HH21 ARG A 78 7.017 16.417 6.793 1.00 0.00 H new ATOM 0 HH22 ARG A 78 5.487 16.894 6.051 1.00 0.00 H new ATOM 1248 N MET A 79 4.622 10.619 4.708 1.00 0.00 N ATOM 1249 CA MET A 79 3.178 10.740 4.756 1.00 0.00 C ATOM 1250 C MET A 79 2.547 9.396 5.068 1.00 0.00 C ATOM 1251 O MET A 79 1.569 9.350 5.814 1.00 0.00 O ATOM 1252 CB MET A 79 2.642 11.210 3.403 1.00 0.00 C ATOM 1253 CG MET A 79 3.630 10.935 2.261 1.00 0.00 C ATOM 1254 SD MET A 79 2.815 10.711 0.689 1.00 0.00 S ATOM 1255 CE MET A 79 2.139 9.092 1.003 1.00 0.00 C ATOM 0 H MET A 79 5.017 11.030 3.862 1.00 0.00 H new ATOM 0 HA MET A 79 2.928 11.462 5.533 1.00 0.00 H new ATOM 0 HB2 MET A 79 1.698 10.707 3.193 1.00 0.00 H new ATOM 0 HB3 MET A 79 2.431 12.278 3.449 1.00 0.00 H new ATOM 0 HG2 MET A 79 4.334 11.764 2.187 1.00 0.00 H new ATOM 0 HG3 MET A 79 4.212 10.043 2.495 1.00 0.00 H new ATOM 0 HE1 MET A 79 1.766 8.666 0.071 1.00 0.00 H new ATOM 0 HE2 MET A 79 2.916 8.446 1.411 1.00 0.00 H new ATOM 0 HE3 MET A 79 1.321 9.172 1.719 1.00 0.00 H new ATOM 1265 N ARG A 80 3.143 8.315 4.524 1.00 0.00 N ATOM 1266 CA ARG A 80 2.720 6.983 4.803 1.00 0.00 C ATOM 1267 C ARG A 80 2.560 6.829 6.268 1.00 0.00 C ATOM 1268 O ARG A 80 1.747 6.014 6.568 1.00 0.00 O ATOM 1269 CB ARG A 80 3.657 5.930 4.258 1.00 0.00 C ATOM 1270 CG ARG A 80 3.371 4.537 4.832 1.00 0.00 C ATOM 1271 CD ARG A 80 4.370 3.511 4.339 1.00 0.00 C ATOM 1272 NE ARG A 80 5.543 3.423 5.212 1.00 0.00 N ATOM 1273 CZ ARG A 80 6.658 4.090 5.059 1.00 0.00 C ATOM 1274 NH1 ARG A 80 6.823 4.868 4.031 1.00 0.00 N ATOM 1275 NH2 ARG A 80 7.641 3.959 5.908 1.00 0.00 N ATOM 0 H ARG A 80 3.932 8.373 3.880 1.00 0.00 H new ATOM 0 HA ARG A 80 1.769 6.825 4.295 1.00 0.00 H new ATOM 0 HB2 ARG A 80 3.569 5.897 3.172 1.00 0.00 H new ATOM 0 HB3 ARG A 80 4.685 6.210 4.487 1.00 0.00 H new ATOM 0 HG2 ARG A 80 3.400 4.579 5.921 1.00 0.00 H new ATOM 0 HG3 ARG A 80 2.364 4.228 4.552 1.00 0.00 H new ATOM 0 HD2 ARG A 80 3.888 2.535 4.280 1.00 0.00 H new ATOM 0 HD3 ARG A 80 4.688 3.771 3.329 1.00 0.00 H new ATOM 0 HE ARG A 80 5.486 2.787 6.007 1.00 0.00 H new ATOM 0 HH11 ARG A 80 6.081 4.961 3.338 1.00 0.00 H new ATOM 0 HH12 ARG A 80 7.695 5.385 3.918 1.00 0.00 H new ATOM 0 HH21 ARG A 80 7.546 3.329 6.705 1.00 0.00 H new ATOM 0 HH22 ARG A 80 8.504 4.486 5.774 1.00 0.00 H new ATOM 1289 N ASP A 81 3.256 7.488 7.148 1.00 0.00 N ATOM 1290 CA ASP A 81 3.165 7.431 8.583 1.00 0.00 C ATOM 1291 C ASP A 81 1.782 6.992 9.049 1.00 0.00 C ATOM 1292 O ASP A 81 1.614 5.886 9.550 1.00 0.00 O ATOM 1293 CB ASP A 81 3.408 8.802 9.200 1.00 0.00 C ATOM 1294 CG ASP A 81 4.403 8.810 10.343 1.00 0.00 C ATOM 1295 OD1 ASP A 81 4.560 7.743 10.979 1.00 0.00 O ATOM 1296 OD2 ASP A 81 5.043 9.869 10.521 1.00 0.00 O ATOM 0 H ASP A 81 3.976 8.147 6.850 1.00 0.00 H new ATOM 0 HA ASP A 81 3.921 6.712 8.899 1.00 0.00 H new ATOM 0 HB2 ASP A 81 3.762 9.479 8.422 1.00 0.00 H new ATOM 0 HB3 ASP A 81 2.458 9.198 9.559 1.00 0.00 H new ATOM 1301 N GLN A 82 0.747 7.752 8.666 1.00 0.00 N ATOM 1302 CA GLN A 82 -0.605 7.434 9.020 1.00 0.00 C ATOM 1303 C GLN A 82 -1.059 6.218 8.304 1.00 0.00 C ATOM 1304 O GLN A 82 -1.174 5.194 8.961 1.00 0.00 O ATOM 1305 CB GLN A 82 -1.535 8.580 8.725 1.00 0.00 C ATOM 1306 CG GLN A 82 -1.696 9.481 9.948 1.00 0.00 C ATOM 1307 CD GLN A 82 -0.549 10.460 10.100 1.00 0.00 C ATOM 1308 OE1 GLN A 82 0.556 10.108 10.410 1.00 0.00 O ATOM 1309 NE2 GLN A 82 -0.803 11.729 9.871 1.00 0.00 N ATOM 0 H GLN A 82 0.844 8.598 8.104 1.00 0.00 H new ATOM 0 HA GLN A 82 -0.627 7.245 10.093 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -1.148 9.162 7.888 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -2.508 8.195 8.422 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -2.633 10.033 9.869 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -1.764 8.864 10.844 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -1.744 12.021 9.608 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -0.059 12.422 9.956 1.00 0.00 H new ATOM 1318 N VAL A 83 -1.386 6.353 7.006 1.00 0.00 N ATOM 1319 CA VAL A 83 -1.759 5.259 6.118 1.00 0.00 C ATOM 1320 C VAL A 83 -1.085 3.962 6.548 1.00 0.00 C ATOM 1321 O VAL A 83 -1.687 2.924 6.512 1.00 0.00 O ATOM 1322 CB VAL A 83 -1.437 5.572 4.648 1.00 0.00 C ATOM 1323 CG1 VAL A 83 -0.589 6.821 4.505 1.00 0.00 C ATOM 1324 CG2 VAL A 83 -0.759 4.395 3.946 1.00 0.00 C ATOM 0 H VAL A 83 -1.395 7.260 6.540 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.839 5.137 6.195 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.395 5.753 4.161 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.386 7.004 3.450 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.123 7.673 4.925 1.00 0.00 H new ATOM 0 HG13 VAL A 83 0.352 6.685 5.037 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.550 4.661 2.910 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.175 4.157 4.455 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.418 3.527 3.972 1.00 0.00 H new ATOM 1334 N MET A 84 0.176 3.970 6.925 1.00 0.00 N ATOM 1335 CA MET A 84 0.929 2.915 7.503 1.00 0.00 C ATOM 1336 C MET A 84 0.066 2.128 8.433 1.00 0.00 C ATOM 1337 O MET A 84 -0.398 1.086 8.016 1.00 0.00 O ATOM 1338 CB MET A 84 2.144 3.401 8.259 1.00 0.00 C ATOM 1339 CG MET A 84 3.336 2.525 8.006 1.00 0.00 C ATOM 1340 SD MET A 84 4.414 2.420 9.442 1.00 0.00 S ATOM 1341 CE MET A 84 4.890 4.181 9.545 1.00 0.00 C ATOM 0 H MET A 84 0.743 4.811 6.816 1.00 0.00 H new ATOM 0 HA MET A 84 1.280 2.295 6.678 1.00 0.00 H new ATOM 0 HB2 MET A 84 2.374 4.424 7.962 1.00 0.00 H new ATOM 0 HB3 MET A 84 1.926 3.421 9.327 1.00 0.00 H new ATOM 0 HG2 MET A 84 2.999 1.525 7.732 1.00 0.00 H new ATOM 0 HG3 MET A 84 3.899 2.915 7.158 1.00 0.00 H new ATOM 0 HE1 MET A 84 5.853 4.269 10.049 1.00 0.00 H new ATOM 0 HE2 MET A 84 4.967 4.596 8.540 1.00 0.00 H new ATOM 0 HE3 MET A 84 4.135 4.730 10.107 1.00 0.00 H new ATOM 1351 N SER A 85 -0.233 2.596 9.638 1.00 0.00 N ATOM 1352 CA SER A 85 -1.061 1.914 10.600 1.00 0.00 C ATOM 1353 C SER A 85 -2.504 1.849 10.117 1.00 0.00 C ATOM 1354 O SER A 85 -3.414 2.022 10.896 1.00 0.00 O ATOM 1355 CB SER A 85 -0.979 2.605 11.959 1.00 0.00 C ATOM 1356 OG SER A 85 -1.421 1.718 12.972 1.00 0.00 O ATOM 0 H SER A 85 0.112 3.495 9.976 1.00 0.00 H new ATOM 0 HA SER A 85 -0.693 0.894 10.709 1.00 0.00 H new ATOM 0 HB2 SER A 85 0.046 2.918 12.158 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.593 3.506 11.958 1.00 0.00 H new ATOM 0 HG SER A 85 -2.325 1.405 12.761 1.00 0.00 H new ATOM 1362 N MET A 86 -2.747 1.530 8.856 1.00 0.00 N ATOM 1363 CA MET A 86 -4.012 1.427 8.238 1.00 0.00 C ATOM 1364 C MET A 86 -3.974 0.561 7.006 1.00 0.00 C ATOM 1365 O MET A 86 -4.839 -0.271 6.833 1.00 0.00 O ATOM 1366 CB MET A 86 -4.467 2.806 7.841 1.00 0.00 C ATOM 1367 CG MET A 86 -5.130 3.556 8.975 1.00 0.00 C ATOM 1368 SD MET A 86 -6.561 2.613 9.569 1.00 0.00 S ATOM 1369 CE MET A 86 -6.884 3.512 11.091 1.00 0.00 C ATOM 0 H MET A 86 -1.988 1.325 8.206 1.00 0.00 H new ATOM 0 HA MET A 86 -4.697 0.969 8.951 1.00 0.00 H new ATOM 0 HB2 MET A 86 -3.610 3.378 7.486 1.00 0.00 H new ATOM 0 HB3 MET A 86 -5.165 2.727 7.007 1.00 0.00 H new ATOM 0 HG2 MET A 86 -4.420 3.710 9.787 1.00 0.00 H new ATOM 0 HG3 MET A 86 -5.446 4.543 8.637 1.00 0.00 H new ATOM 0 HE1 MET A 86 -7.741 3.070 11.600 1.00 0.00 H new ATOM 0 HE2 MET A 86 -6.009 3.457 11.739 1.00 0.00 H new ATOM 0 HE3 MET A 86 -7.098 4.555 10.859 1.00 0.00 H new ATOM 1379 N ALA A 87 -2.924 0.624 6.198 1.00 0.00 N ATOM 1380 CA ALA A 87 -2.766 -0.184 5.023 1.00 0.00 C ATOM 1381 C ALA A 87 -2.423 -1.577 5.458 1.00 0.00 C ATOM 1382 O ALA A 87 -2.246 -2.431 4.625 1.00 0.00 O ATOM 1383 CB ALA A 87 -1.681 0.412 4.156 1.00 0.00 C ATOM 0 H ALA A 87 -2.143 1.261 6.357 1.00 0.00 H new ATOM 0 HA ALA A 87 -3.684 -0.215 4.436 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -1.555 -0.197 3.261 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -1.960 1.426 3.869 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -0.744 0.438 4.712 1.00 0.00 H new ATOM 1389 N HIS A 88 -2.221 -1.839 6.739 1.00 0.00 N ATOM 1390 CA HIS A 88 -1.931 -3.151 7.256 1.00 0.00 C ATOM 1391 C HIS A 88 -3.205 -3.754 7.785 1.00 0.00 C ATOM 1392 O HIS A 88 -3.233 -4.930 8.020 1.00 0.00 O ATOM 1393 CB HIS A 88 -0.843 -3.049 8.318 1.00 0.00 C ATOM 1394 CG HIS A 88 0.165 -1.957 8.109 1.00 0.00 C ATOM 1395 ND1 HIS A 88 0.643 -1.461 6.924 1.00 0.00 N flip ATOM 1396 CD2 HIS A 88 0.779 -1.270 9.139 1.00 0.00 C flip ATOM 1397 CE1 HIS A 88 1.546 -0.473 7.249 1.00 0.00 C flip ATOM 1398 NE2 HIS A 88 1.655 -0.417 8.600 1.00 0.00 N flip ATOM 0 H HIS A 88 -2.257 -1.120 7.461 1.00 0.00 H new ATOM 0 HA HIS A 88 -1.552 -3.807 6.473 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -1.319 -2.899 9.287 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -0.316 -4.002 8.365 1.00 0.00 H new ATOM 0 HD1 HIS A 88 0.381 -1.764 5.986 1.00 0.00 H new ATOM 0 HD2 HIS A 88 0.585 -1.400 10.193 1.00 0.00 H new ATOM 0 HE1 HIS A 88 2.078 0.152 6.547 1.00 0.00 H new ATOM 1407 N ASN A 89 -4.252 -2.971 7.975 1.00 0.00 N ATOM 1408 CA ASN A 89 -5.523 -3.425 8.489 1.00 0.00 C ATOM 1409 C ASN A 89 -6.565 -3.293 7.402 1.00 0.00 C ATOM 1410 O ASN A 89 -7.579 -3.943 7.457 1.00 0.00 O ATOM 1411 CB ASN A 89 -5.963 -2.584 9.687 1.00 0.00 C ATOM 1412 CG ASN A 89 -4.952 -2.608 10.813 1.00 0.00 C ATOM 1413 OD1 ASN A 89 -3.739 -2.168 10.515 1.00 0.00 O flip ATOM 1414 ND2 ASN A 89 -5.216 -3.023 11.920 1.00 0.00 N flip ATOM 0 H ASN A 89 -4.236 -1.972 7.768 1.00 0.00 H new ATOM 0 HA ASN A 89 -5.417 -4.462 8.806 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -6.121 -1.554 9.366 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -6.920 -2.953 10.054 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -6.157 -3.357 12.128 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -4.497 -3.038 12.644 1.00 0.00 H new ATOM 1421 N LEU A 90 -6.312 -2.459 6.403 1.00 0.00 N ATOM 1422 CA LEU A 90 -7.173 -2.271 5.267 1.00 0.00 C ATOM 1423 C LEU A 90 -7.228 -3.551 4.444 1.00 0.00 C ATOM 1424 O LEU A 90 -8.302 -4.039 4.134 1.00 0.00 O ATOM 1425 CB LEU A 90 -6.708 -1.059 4.437 1.00 0.00 C ATOM 1426 CG LEU A 90 -7.331 0.261 4.890 1.00 0.00 C ATOM 1427 CD1 LEU A 90 -6.671 1.408 4.141 1.00 0.00 C ATOM 1428 CD2 LEU A 90 -8.839 0.270 4.659 1.00 0.00 C ATOM 0 H LEU A 90 -5.472 -1.881 6.370 1.00 0.00 H new ATOM 0 HA LEU A 90 -8.186 -2.054 5.606 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -5.623 -0.980 4.499 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -6.956 -1.229 3.389 1.00 0.00 H new ATOM 0 HG LEU A 90 -7.164 0.379 5.961 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.112 2.352 4.460 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -5.602 1.415 4.355 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -6.825 1.280 3.070 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -9.252 1.222 4.991 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -9.045 0.136 3.597 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -9.298 -0.542 5.223 1.00 0.00 H new ATOM 1440 N PRO A 91 -6.059 -4.103 4.076 1.00 0.00 N ATOM 1441 CA PRO A 91 -5.968 -5.328 3.323 1.00 0.00 C ATOM 1442 C PRO A 91 -6.282 -6.531 4.176 1.00 0.00 C ATOM 1443 O PRO A 91 -6.915 -7.468 3.710 1.00 0.00 O ATOM 1444 CB PRO A 91 -4.562 -5.389 2.739 1.00 0.00 C ATOM 1445 CG PRO A 91 -3.765 -4.443 3.596 1.00 0.00 C ATOM 1446 CD PRO A 91 -4.745 -3.615 4.386 1.00 0.00 C ATOM 0 HA PRO A 91 -6.708 -5.342 2.522 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -4.157 -6.400 2.780 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -4.552 -5.083 1.693 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -3.103 -4.995 4.264 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -3.134 -3.804 2.978 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -4.546 -3.698 5.454 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -4.655 -2.560 4.126 1.00 0.00 H new ATOM 1454 N ILE A 92 -5.829 -6.525 5.418 1.00 0.00 N ATOM 1455 CA ILE A 92 -6.096 -7.610 6.336 1.00 0.00 C ATOM 1456 C ILE A 92 -7.589 -7.782 6.530 1.00 0.00 C ATOM 1457 O ILE A 92 -8.066 -8.907 6.482 1.00 0.00 O ATOM 1458 CB ILE A 92 -5.388 -7.335 7.662 1.00 0.00 C ATOM 1459 CG1 ILE A 92 -3.933 -7.795 7.597 1.00 0.00 C ATOM 1460 CG2 ILE A 92 -6.140 -7.989 8.828 1.00 0.00 C ATOM 1461 CD1 ILE A 92 -3.404 -8.310 8.922 1.00 0.00 C ATOM 0 H ILE A 92 -5.269 -5.770 5.814 1.00 0.00 H new ATOM 0 HA ILE A 92 -5.711 -8.543 5.924 1.00 0.00 H new ATOM 0 HB ILE A 92 -5.387 -6.260 7.840 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -3.841 -8.581 6.847 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.311 -6.964 7.265 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -5.617 -7.780 9.761 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -7.151 -7.586 8.880 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -6.186 -9.067 8.672 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -2.366 -8.620 8.804 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -3.464 -7.519 9.670 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -4.002 -9.162 9.246 1.00 0.00 H new ATOM 1473 N GLU A 93 -8.311 -6.680 6.716 1.00 0.00 N ATOM 1474 CA GLU A 93 -9.754 -6.724 6.880 1.00 0.00 C ATOM 1475 C GLU A 93 -10.424 -7.313 5.639 1.00 0.00 C ATOM 1476 O GLU A 93 -11.574 -7.737 5.686 1.00 0.00 O ATOM 1477 CB GLU A 93 -10.310 -5.321 7.145 1.00 0.00 C ATOM 1478 CG GLU A 93 -10.412 -5.055 8.653 1.00 0.00 C ATOM 1479 CD GLU A 93 -11.861 -4.759 9.054 1.00 0.00 C ATOM 1480 OE1 GLU A 93 -12.384 -3.720 8.587 1.00 0.00 O ATOM 1481 OE2 GLU A 93 -12.419 -5.569 9.832 1.00 0.00 O ATOM 0 H GLU A 93 -7.913 -5.742 6.756 1.00 0.00 H new ATOM 0 HA GLU A 93 -9.973 -7.362 7.736 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -9.664 -4.575 6.682 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -11.293 -5.221 6.686 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -10.046 -5.920 9.206 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -9.775 -4.212 8.923 1.00 0.00 H new ATOM 1488 N CYS A 94 -9.698 -7.347 4.517 1.00 0.00 N ATOM 1489 CA CYS A 94 -10.164 -7.966 3.310 1.00 0.00 C ATOM 1490 C CYS A 94 -9.681 -9.396 3.209 1.00 0.00 C ATOM 1491 O CYS A 94 -10.200 -10.100 2.355 1.00 0.00 O ATOM 1492 CB CYS A 94 -9.717 -7.145 2.107 1.00 0.00 C ATOM 1493 SG CYS A 94 -10.892 -5.855 1.629 1.00 0.00 S ATOM 0 H CYS A 94 -8.767 -6.938 4.439 1.00 0.00 H new ATOM 0 HA CYS A 94 -11.253 -7.995 3.327 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -8.755 -6.683 2.331 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -9.560 -7.813 1.260 1.00 0.00 H new ATOM 1498 N ASN A 95 -8.695 -9.792 4.025 1.00 0.00 N ATOM 1499 CA ASN A 95 -8.117 -11.117 4.072 1.00 0.00 C ATOM 1500 C ASN A 95 -6.979 -11.167 3.044 1.00 0.00 C ATOM 1501 O ASN A 95 -6.632 -12.198 2.489 1.00 0.00 O ATOM 1502 CB ASN A 95 -9.179 -12.170 3.772 1.00 0.00 C ATOM 1503 CG ASN A 95 -8.862 -13.485 4.410 1.00 0.00 C ATOM 1504 OD1 ASN A 95 -9.624 -14.023 5.167 1.00 0.00 O ATOM 1505 ND2 ASN A 95 -7.696 -14.005 4.129 1.00 0.00 N ATOM 0 H ASN A 95 -8.267 -9.157 4.698 1.00 0.00 H new ATOM 0 HA ASN A 95 -7.725 -11.331 5.066 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -10.148 -11.819 4.128 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -9.264 -12.302 2.693 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -7.415 -14.888 4.556 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -7.067 -13.528 3.483 1.00 0.00 H new ATOM 1512 N LEU A 96 -6.425 -10.030 2.666 1.00 0.00 N ATOM 1513 CA LEU A 96 -5.379 -9.979 1.681 1.00 0.00 C ATOM 1514 C LEU A 96 -4.086 -10.395 2.339 1.00 0.00 C ATOM 1515 O LEU A 96 -3.493 -11.374 1.935 1.00 0.00 O ATOM 1516 CB LEU A 96 -5.316 -8.595 1.054 1.00 0.00 C ATOM 1517 CG LEU A 96 -6.665 -8.037 0.578 1.00 0.00 C ATOM 1518 CD1 LEU A 96 -6.511 -6.617 0.096 1.00 0.00 C ATOM 1519 CD2 LEU A 96 -7.315 -8.926 -0.469 1.00 0.00 C ATOM 0 H LEU A 96 -6.693 -9.119 3.038 1.00 0.00 H new ATOM 0 HA LEU A 96 -5.576 -10.671 0.862 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -4.889 -7.903 1.780 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.633 -8.628 0.205 1.00 0.00 H new ATOM 0 HG LEU A 96 -7.341 -8.029 1.433 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -7.478 -6.239 -0.237 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -6.139 -5.995 0.910 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -5.805 -6.589 -0.734 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -8.266 -8.491 -0.776 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -6.658 -9.009 -1.335 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -7.488 -9.917 -0.049 1.00 0.00 H new ATOM 1531 N MET A 97 -3.712 -9.714 3.420 1.00 0.00 N ATOM 1532 CA MET A 97 -2.506 -10.003 4.155 1.00 0.00 C ATOM 1533 C MET A 97 -2.776 -10.330 5.593 1.00 0.00 C ATOM 1534 O MET A 97 -1.883 -10.090 6.403 1.00 0.00 O ATOM 1535 CB MET A 97 -1.550 -8.828 4.026 1.00 0.00 C ATOM 1536 CG MET A 97 -2.098 -7.591 4.716 1.00 0.00 C ATOM 1537 SD MET A 97 -0.998 -7.039 6.055 1.00 0.00 S ATOM 1538 CE MET A 97 0.133 -6.054 5.101 1.00 0.00 C ATOM 0 H MET A 97 -4.252 -8.939 3.806 1.00 0.00 H new ATOM 0 HA MET A 97 -2.048 -10.894 3.725 1.00 0.00 H new ATOM 0 HB2 MET A 97 -0.586 -9.092 4.460 1.00 0.00 H new ATOM 0 HB3 MET A 97 -1.376 -8.612 2.972 1.00 0.00 H new ATOM 0 HG2 MET A 97 -2.219 -6.789 3.988 1.00 0.00 H new ATOM 0 HG3 MET A 97 -3.087 -7.806 5.120 1.00 0.00 H new ATOM 0 HE1 MET A 97 1.146 -6.197 5.477 1.00 0.00 H new ATOM 0 HE2 MET A 97 0.087 -6.358 4.055 1.00 0.00 H new ATOM 0 HE3 MET A 97 -0.140 -5.002 5.185 1.00 0.00 H new ATOM 1548 N SER A 98 -4.012 -10.758 5.897 1.00 0.00 N ATOM 1549 CA SER A 98 -4.439 -11.069 7.250 1.00 0.00 C ATOM 1550 C SER A 98 -3.292 -11.628 8.092 1.00 0.00 C ATOM 1551 O SER A 98 -2.712 -11.004 8.964 1.00 0.00 O ATOM 1552 CB SER A 98 -5.602 -12.057 7.258 1.00 0.00 C ATOM 1553 OG SER A 98 -5.306 -13.203 6.478 1.00 0.00 O ATOM 0 H SER A 98 -4.741 -10.896 5.197 1.00 0.00 H new ATOM 0 HA SER A 98 -4.771 -10.129 7.692 1.00 0.00 H new ATOM 0 HB2 SER A 98 -5.820 -12.358 8.283 1.00 0.00 H new ATOM 0 HB3 SER A 98 -6.498 -11.572 6.871 1.00 0.00 H new ATOM 0 HG SER A 98 -6.067 -13.820 6.501 1.00 0.00 H new ATOM 1559 N GLN A 99 -2.884 -12.845 7.797 1.00 0.00 N ATOM 1560 CA GLN A 99 -1.712 -13.444 8.396 1.00 0.00 C ATOM 1561 C GLN A 99 -1.174 -14.587 7.535 1.00 0.00 C ATOM 1562 O GLN A 99 -1.073 -15.723 7.986 1.00 0.00 O ATOM 1563 CB GLN A 99 -2.134 -13.911 9.781 1.00 0.00 C ATOM 1564 CG GLN A 99 -0.965 -13.767 10.750 1.00 0.00 C ATOM 1565 CD GLN A 99 -1.137 -14.676 11.957 1.00 0.00 C ATOM 1566 OE1 GLN A 99 -2.219 -14.874 12.487 1.00 0.00 O ATOM 1567 NE2 GLN A 99 -0.033 -15.228 12.427 1.00 0.00 N ATOM 0 H GLN A 99 -3.361 -13.450 7.129 1.00 0.00 H new ATOM 0 HA GLN A 99 -0.892 -12.730 8.471 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -2.983 -13.324 10.130 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -2.460 -14.950 9.741 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -0.033 -14.009 10.239 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -0.888 -12.731 11.080 1.00 0.00 H new ATOM 0 HE21 GLN A 99 0.861 -15.050 11.969 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -0.074 -15.833 13.247 1.00 0.00 H new ATOM 1576 N PRO A 100 -0.874 -14.285 6.259 1.00 0.00 N ATOM 1577 CA PRO A 100 -0.347 -15.272 5.343 1.00 0.00 C ATOM 1578 C PRO A 100 1.100 -15.615 5.658 1.00 0.00 C ATOM 1579 O PRO A 100 1.429 -16.763 5.962 1.00 0.00 O ATOM 1580 CB PRO A 100 -0.524 -14.689 3.936 1.00 0.00 C ATOM 1581 CG PRO A 100 -0.712 -13.198 4.141 1.00 0.00 C ATOM 1582 CD PRO A 100 -0.960 -12.986 5.624 1.00 0.00 C ATOM 0 HA PRO A 100 -0.881 -16.218 5.430 1.00 0.00 H new ATOM 0 HB2 PRO A 100 0.347 -14.894 3.313 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -1.386 -15.129 3.434 1.00 0.00 H new ATOM 0 HG2 PRO A 100 0.171 -12.649 3.814 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -1.552 -12.830 3.552 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -0.223 -12.302 6.044 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -1.940 -12.540 5.791 1.00 0.00 H new ATOM 1590 N CYS A 101 1.971 -14.621 5.532 1.00 0.00 N ATOM 1591 CA CYS A 101 3.368 -14.793 5.828 1.00 0.00 C ATOM 1592 C CYS A 101 3.546 -14.917 7.340 1.00 0.00 C ATOM 1593 O CYS A 101 2.585 -14.938 8.110 1.00 0.00 O ATOM 1594 CB CYS A 101 4.185 -13.640 5.240 1.00 0.00 C ATOM 1595 SG CYS A 101 3.527 -12.935 3.698 1.00 0.00 S ATOM 0 H CYS A 101 1.720 -13.682 5.223 1.00 0.00 H new ATOM 0 HA CYS A 101 3.739 -15.708 5.366 1.00 0.00 H new ATOM 0 HB2 CYS A 101 4.252 -12.846 5.984 1.00 0.00 H new ATOM 0 HB3 CYS A 101 5.200 -13.991 5.056 1.00 0.00 H new ATOM 1600 N GLN A 102 4.802 -14.952 7.772 1.00 0.00 N ATOM 1601 CA GLN A 102 5.124 -15.039 9.184 1.00 0.00 C ATOM 1602 C GLN A 102 6.061 -13.910 9.590 1.00 0.00 C ATOM 1603 O GLN A 102 6.398 -13.042 8.774 1.00 0.00 O ATOM 1604 CB GLN A 102 5.739 -16.404 9.492 1.00 0.00 C ATOM 1605 CG GLN A 102 4.756 -17.533 9.174 1.00 0.00 C ATOM 1606 CD GLN A 102 4.307 -18.284 10.418 1.00 0.00 C ATOM 1607 OE1 GLN A 102 4.438 -17.853 11.549 1.00 0.00 O ATOM 1608 NE2 GLN A 102 3.763 -19.464 10.207 1.00 0.00 N ATOM 0 H GLN A 102 5.615 -14.921 7.157 1.00 0.00 H new ATOM 0 HA GLN A 102 4.208 -14.934 9.765 1.00 0.00 H new ATOM 0 HB2 GLN A 102 6.651 -16.536 8.909 1.00 0.00 H new ATOM 0 HB3 GLN A 102 6.023 -16.450 10.543 1.00 0.00 H new ATOM 0 HG2 GLN A 102 3.883 -17.119 8.669 1.00 0.00 H new ATOM 0 HG3 GLN A 102 5.223 -18.232 8.481 1.00 0.00 H new ATOM 0 HE21 GLN A 102 3.659 -19.815 9.255 1.00 0.00 H new ATOM 0 HE22 GLN A 102 3.446 -20.028 10.996 1.00 0.00 H new ATOM 1617 N MET A 103 6.461 -13.919 10.865 1.00 0.00 N ATOM 1618 CA MET A 103 7.380 -12.933 11.410 1.00 0.00 C ATOM 1619 C MET A 103 8.415 -13.572 12.361 1.00 0.00 C ATOM 1620 O MET A 103 9.611 -13.530 11.990 1.00 0.00 O ATOM 1621 CB MET A 103 6.545 -11.868 12.127 1.00 0.00 C ATOM 1622 CG MET A 103 7.077 -10.472 11.826 1.00 0.00 C ATOM 1623 SD MET A 103 7.276 -9.513 13.352 1.00 0.00 S ATOM 1624 CE MET A 103 6.114 -8.179 13.020 1.00 0.00 C ATOM 1625 OXT MET A 103 7.965 -14.070 13.419 1.00 0.00 O ATOM 0 H MET A 103 6.152 -14.614 11.544 1.00 0.00 H new ATOM 0 HA MET A 103 7.957 -12.482 10.603 1.00 0.00 H new ATOM 0 HB2 MET A 103 5.504 -11.942 11.811 1.00 0.00 H new ATOM 0 HB3 MET A 103 6.565 -12.046 13.202 1.00 0.00 H new ATOM 0 HG2 MET A 103 8.035 -10.547 11.311 1.00 0.00 H new ATOM 0 HG3 MET A 103 6.393 -9.955 11.153 1.00 0.00 H new ATOM 0 HE1 MET A 103 6.105 -7.486 13.862 1.00 0.00 H new ATOM 0 HE2 MET A 103 6.417 -7.649 12.117 1.00 0.00 H new ATOM 0 HE3 MET A 103 5.115 -8.593 12.880 1.00 0.00 H new TER 1635 MET A 103