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= 0.927 K(o=1.2,f=-0.028) USER MOD Set 1.2: A 98 SER OG : rot 180:sc= 0.251 USER MOD Set 2.1: A 27 TYR OH : rot 2:sc= -1.08 USER MOD Set 2.2: A 48 LYS NZ :NH3+ 134:sc= -0.569! (180deg=-1.64!) 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= -3.23! C(o=-5.1!,f=-3.2!) USER MOD Single : A 15 MET CE :methyl 155:sc= -8.58! (180deg=-9.88!) USER MOD Single : A 20 MET CE :methyl -150:sc= -3.92! (180deg=-6.35!) USER MOD Single : A 22 ASN : amide:sc= -0.145 K(o=-0.15,f=-2.2) USER MOD Single : A 23 HIS : no HD1:sc= -0.194 X(o=-0.19,f=-0.0033) 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=-0.0706) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -1.94 K(o=-1.9,f=-2.5) 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= -0.762 K(o=-0.76,f=-3.1!) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 53 MET CE :methyl 151:sc= -0.0534 (180deg=-1.29) USER MOD Single : A 54 GLN : amide:sc= -0.191 K(o=-0.19,f=-2.1!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.0108 X(o=-0.011,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= -3.09! (180deg=-3.65!) USER MOD Single : A 68 MET CE :methyl 139:sc= -1.73 (180deg=-5.1!) USER MOD Single : A 69 MET CE :methyl -173:sc= -0.0825 (180deg=-0.208) USER MOD Single : A 70 MET CE :methyl 139:sc= -16.3! (180deg=-21.7!) USER MOD Single : A 72 ASN : amide:sc= -0.96 K(o=-0.96,f=-3.1) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 MET CE :methyl -169:sc= -9.7! (180deg=-10.3!) USER MOD Single : A 82 GLN : amide:sc= -3.59! C(o=-3.6!,f=-3.7!) USER MOD Single : A 84 MET CE :methyl -155:sc= -0.0656 (180deg=-0.724) USER MOD Single : A 85 SER OG : rot -56:sc= 0.0795 USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 88 HIS :FLIP no HE2:sc= -12.6! C(o=-14!,f=-13!) USER MOD Single : A 89 ASN :FLIP amide:sc= -0.524 F(o=-2!,f=-0.52) USER MOD Single : A 97 MET CE :methyl -141:sc= -3! (180deg=-4.32!) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=-0.055) USER MOD Single : A 102 GLN : amide:sc= -0.149 K(o=-0.15,f=-1.5!) USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 3.118 -7.581 8.847 1.00 0.00 N ATOM 2 CA PRO A 1 3.981 -6.537 8.255 1.00 0.00 C ATOM 3 C PRO A 1 3.334 -5.163 8.253 1.00 0.00 C ATOM 4 O PRO A 1 2.148 -5.030 8.503 1.00 0.00 O ATOM 5 CB PRO A 1 4.421 -7.003 6.872 1.00 0.00 C ATOM 6 CG PRO A 1 3.369 -8.037 6.471 1.00 0.00 C ATOM 7 CD PRO A 1 2.587 -8.396 7.734 1.00 0.00 C ATOM 0 H2 PRO A 1 2.357 -7.159 9.379 1.00 0.00 H new ATOM 0 H3 PRO A 1 3.649 -8.161 9.496 1.00 0.00 H new ATOM 0 HA PRO A 1 4.866 -6.405 8.878 1.00 0.00 H new ATOM 0 HB2 PRO A 1 4.454 -6.174 6.165 1.00 0.00 H new ATOM 0 HB3 PRO A 1 5.419 -7.440 6.898 1.00 0.00 H new ATOM 0 HG2 PRO A 1 2.704 -7.633 5.708 1.00 0.00 H new ATOM 0 HG3 PRO A 1 3.842 -8.922 6.046 1.00 0.00 H new ATOM 0 HD2 PRO A 1 1.524 -8.201 7.592 1.00 0.00 H new ATOM 0 HD3 PRO A 1 2.689 -9.458 7.957 1.00 0.00 H new ATOM 15 N TYR A 2 4.136 -4.142 7.968 1.00 0.00 N ATOM 16 CA TYR A 2 3.665 -2.776 7.942 1.00 0.00 C ATOM 17 C TYR A 2 4.326 -1.991 6.814 1.00 0.00 C ATOM 18 O TYR A 2 3.681 -1.278 6.055 1.00 0.00 O ATOM 19 CB TYR A 2 4.022 -2.142 9.292 1.00 0.00 C ATOM 20 CG TYR A 2 5.487 -2.316 9.689 1.00 0.00 C ATOM 21 CD1 TYR A 2 5.906 -3.510 10.300 1.00 0.00 C ATOM 22 CD2 TYR A 2 6.413 -1.298 9.403 1.00 0.00 C ATOM 23 CE1 TYR A 2 7.266 -3.683 10.651 1.00 0.00 C ATOM 24 CE2 TYR A 2 7.774 -1.466 9.750 1.00 0.00 C ATOM 25 CZ TYR A 2 8.185 -2.651 10.390 1.00 0.00 C ATOM 26 OH TYR A 2 9.497 -2.830 10.708 1.00 0.00 O ATOM 0 H TYR A 2 5.127 -4.246 7.750 1.00 0.00 H new ATOM 0 HA TYR A 2 2.589 -2.758 7.770 1.00 0.00 H new ATOM 0 HB2 TYR A 2 3.790 -1.078 9.255 1.00 0.00 H new ATOM 0 HB3 TYR A 2 3.391 -2.580 10.066 1.00 0.00 H new ATOM 0 HD1 TYR A 2 5.191 -4.294 10.501 1.00 0.00 H new ATOM 0 HD2 TYR A 2 6.086 -0.389 8.919 1.00 0.00 H new ATOM 0 HE1 TYR A 2 7.596 -4.600 11.116 1.00 0.00 H new ATOM 0 HE2 TYR A 2 8.492 -0.691 9.526 1.00 0.00 H new ATOM 0 HH TYR A 2 10.005 -2.028 10.465 1.00 0.00 H new ATOM 36 N GLY A 3 5.638 -2.141 6.687 1.00 0.00 N ATOM 37 CA GLY A 3 6.404 -1.427 5.688 1.00 0.00 C ATOM 38 C GLY A 3 7.892 -1.634 5.885 1.00 0.00 C ATOM 39 O GLY A 3 8.608 -0.703 6.257 1.00 0.00 O ATOM 0 H GLY A 3 6.195 -2.761 7.275 1.00 0.00 H new ATOM 0 HA2 GLY A 3 6.116 -1.767 4.693 1.00 0.00 H new ATOM 0 HA3 GLY A 3 6.172 -0.363 5.740 1.00 0.00 H new ATOM 43 N ARG A 4 8.335 -2.892 5.751 1.00 0.00 N ATOM 44 CA ARG A 4 9.743 -3.226 5.886 1.00 0.00 C ATOM 45 C ARG A 4 10.546 -2.743 4.676 1.00 0.00 C ATOM 46 O ARG A 4 10.019 -2.058 3.809 1.00 0.00 O ATOM 47 CB ARG A 4 9.919 -4.733 6.061 1.00 0.00 C ATOM 48 CG ARG A 4 11.128 -5.032 6.957 1.00 0.00 C ATOM 49 CD ARG A 4 10.750 -5.986 8.095 1.00 0.00 C ATOM 50 NE ARG A 4 11.488 -5.637 9.323 1.00 0.00 N ATOM 51 CZ ARG A 4 12.722 -6.017 9.598 1.00 0.00 C ATOM 52 NH1 ARG A 4 13.400 -6.743 8.741 1.00 0.00 N ATOM 53 NH2 ARG A 4 13.295 -5.640 10.715 1.00 0.00 N ATOM 0 H ARG A 4 7.731 -3.689 5.549 1.00 0.00 H new ATOM 0 HA ARG A 4 10.122 -2.717 6.772 1.00 0.00 H new ATOM 0 HB2 ARG A 4 9.018 -5.162 6.500 1.00 0.00 H new ATOM 0 HB3 ARG A 4 10.055 -5.205 5.088 1.00 0.00 H new ATOM 0 HG2 ARG A 4 11.927 -5.472 6.360 1.00 0.00 H new ATOM 0 HG3 ARG A 4 11.516 -4.102 7.372 1.00 0.00 H new ATOM 0 HD2 ARG A 4 9.677 -5.934 8.280 1.00 0.00 H new ATOM 0 HD3 ARG A 4 10.975 -7.013 7.807 1.00 0.00 H new ATOM 0 HE ARG A 4 11.009 -5.058 10.012 1.00 0.00 H new ATOM 0 HH11 ARG A 4 12.974 -7.017 7.856 1.00 0.00 H new ATOM 0 HH12 ARG A 4 14.353 -7.033 8.960 1.00 0.00 H new ATOM 0 HH21 ARG A 4 12.787 -5.051 11.375 1.00 0.00 H new ATOM 0 HH22 ARG A 4 14.249 -5.936 10.924 1.00 0.00 H new ATOM 67 N GLY A 5 11.830 -3.104 4.653 1.00 0.00 N ATOM 68 CA GLY A 5 12.703 -2.766 3.554 1.00 0.00 C ATOM 69 C GLY A 5 12.207 -3.364 2.241 1.00 0.00 C ATOM 70 O GLY A 5 11.236 -4.123 2.198 1.00 0.00 O ATOM 0 H GLY A 5 12.282 -3.636 5.397 1.00 0.00 H new ATOM 0 HA2 GLY A 5 12.768 -1.682 3.460 1.00 0.00 H new ATOM 0 HA3 GLY A 5 13.710 -3.129 3.763 1.00 0.00 H new ATOM 74 N ARG A 6 12.891 -2.996 1.161 1.00 0.00 N ATOM 75 CA ARG A 6 12.564 -3.504 -0.158 1.00 0.00 C ATOM 76 C ARG A 6 12.988 -4.956 -0.301 1.00 0.00 C ATOM 77 O ARG A 6 13.709 -5.486 0.543 1.00 0.00 O ATOM 78 CB ARG A 6 13.221 -2.654 -1.247 1.00 0.00 C ATOM 79 CG ARG A 6 14.705 -2.411 -0.936 1.00 0.00 C ATOM 80 CD ARG A 6 14.929 -0.959 -0.490 1.00 0.00 C ATOM 81 NE ARG A 6 15.675 -0.200 -1.511 1.00 0.00 N ATOM 82 CZ ARG A 6 16.326 0.925 -1.299 1.00 0.00 C ATOM 83 NH1 ARG A 6 16.354 1.462 -0.106 1.00 0.00 N ATOM 84 NH2 ARG A 6 16.967 1.512 -2.283 1.00 0.00 N ATOM 0 H ARG A 6 13.677 -2.346 1.179 1.00 0.00 H new ATOM 0 HA ARG A 6 11.482 -3.446 -0.278 1.00 0.00 H new ATOM 0 HB2 ARG A 6 13.125 -3.154 -2.211 1.00 0.00 H new ATOM 0 HB3 ARG A 6 12.702 -1.699 -1.330 1.00 0.00 H new ATOM 0 HG2 ARG A 6 15.035 -3.093 -0.153 1.00 0.00 H new ATOM 0 HG3 ARG A 6 15.308 -2.624 -1.819 1.00 0.00 H new ATOM 0 HD2 ARG A 6 13.968 -0.479 -0.306 1.00 0.00 H new ATOM 0 HD3 ARG A 6 15.478 -0.945 0.452 1.00 0.00 H new ATOM 0 HE ARG A 6 15.688 -0.577 -2.459 1.00 0.00 H new ATOM 0 HH11 ARG A 6 15.869 1.009 0.669 1.00 0.00 H new ATOM 0 HH12 ARG A 6 16.861 2.334 0.049 1.00 0.00 H new ATOM 0 HH21 ARG A 6 16.962 1.097 -3.215 1.00 0.00 H new ATOM 0 HH22 ARG A 6 17.470 2.383 -2.116 1.00 0.00 H new ATOM 98 N THR A 7 12.615 -5.554 -1.422 1.00 0.00 N ATOM 99 CA THR A 7 12.937 -6.942 -1.693 1.00 0.00 C ATOM 100 C THR A 7 13.216 -7.129 -3.176 1.00 0.00 C ATOM 101 O THR A 7 13.555 -6.174 -3.878 1.00 0.00 O ATOM 102 CB THR A 7 11.775 -7.814 -1.206 1.00 0.00 C ATOM 103 OG1 THR A 7 10.642 -7.448 -1.972 1.00 0.00 O ATOM 104 CG2 THR A 7 11.399 -7.513 0.253 1.00 0.00 C ATOM 0 H THR A 7 12.085 -5.094 -2.162 1.00 0.00 H new ATOM 0 HA THR A 7 13.839 -7.242 -1.160 1.00 0.00 H new ATOM 0 HB THR A 7 12.068 -8.860 -1.299 1.00 0.00 H new ATOM 0 HG1 THR A 7 9.871 -7.985 -1.693 1.00 0.00 H new ATOM 0 HG21 THR A 7 10.571 -8.154 0.555 1.00 0.00 H new ATOM 0 HG22 THR A 7 12.258 -7.702 0.897 1.00 0.00 H new ATOM 0 HG23 THR A 7 11.101 -6.469 0.344 1.00 0.00 H new ATOM 112 N GLU A 8 13.106 -8.368 -3.645 1.00 0.00 N ATOM 113 CA GLU A 8 13.337 -8.687 -5.038 1.00 0.00 C ATOM 114 C GLU A 8 12.125 -8.305 -5.883 1.00 0.00 C ATOM 115 O GLU A 8 11.191 -7.643 -5.412 1.00 0.00 O ATOM 116 CB GLU A 8 13.670 -10.176 -5.201 1.00 0.00 C ATOM 117 CG GLU A 8 14.877 -10.565 -4.339 1.00 0.00 C ATOM 118 CD GLU A 8 14.545 -11.758 -3.449 1.00 0.00 C ATOM 119 OE1 GLU A 8 14.554 -12.890 -3.981 1.00 0.00 O ATOM 120 OE2 GLU A 8 14.255 -11.510 -2.256 1.00 0.00 O ATOM 0 H GLU A 8 12.855 -9.171 -3.068 1.00 0.00 H new ATOM 0 HA GLU A 8 14.191 -8.108 -5.389 1.00 0.00 H new ATOM 0 HB2 GLU A 8 12.807 -10.779 -4.918 1.00 0.00 H new ATOM 0 HB3 GLU A 8 13.881 -10.393 -6.248 1.00 0.00 H new ATOM 0 HG2 GLU A 8 15.724 -10.809 -4.980 1.00 0.00 H new ATOM 0 HG3 GLU A 8 15.177 -9.718 -3.722 1.00 0.00 H new ATOM 127 N SER A 9 12.156 -8.703 -7.158 1.00 0.00 N ATOM 128 CA SER A 9 11.069 -8.432 -8.075 1.00 0.00 C ATOM 129 C SER A 9 10.017 -9.537 -7.998 1.00 0.00 C ATOM 130 O SER A 9 9.973 -10.336 -7.061 1.00 0.00 O ATOM 131 CB SER A 9 11.607 -8.287 -9.508 1.00 0.00 C ATOM 132 OG SER A 9 11.300 -7.019 -10.044 1.00 0.00 O ATOM 0 H SER A 9 12.933 -9.218 -7.572 1.00 0.00 H new ATOM 0 HA SER A 9 10.595 -7.493 -7.789 1.00 0.00 H new ATOM 0 HB2 SER A 9 12.687 -8.433 -9.510 1.00 0.00 H new ATOM 0 HB3 SER A 9 11.179 -9.065 -10.140 1.00 0.00 H new ATOM 0 HG SER A 9 11.655 -6.954 -10.955 1.00 0.00 H new ATOM 138 N GLY A 10 9.144 -9.590 -9.009 1.00 0.00 N ATOM 139 CA GLY A 10 8.107 -10.596 -9.100 1.00 0.00 C ATOM 140 C GLY A 10 6.776 -10.011 -8.681 1.00 0.00 C ATOM 141 O GLY A 10 6.039 -9.479 -9.501 1.00 0.00 O ATOM 0 H GLY A 10 9.146 -8.929 -9.786 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.043 -10.971 -10.121 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.356 -11.445 -8.463 1.00 0.00 H new ATOM 145 N CYS A 11 6.464 -10.092 -7.385 1.00 0.00 N ATOM 146 CA CYS A 11 5.223 -9.581 -6.860 1.00 0.00 C ATOM 147 C CYS A 11 5.165 -8.102 -7.107 1.00 0.00 C ATOM 148 O CYS A 11 4.414 -7.676 -7.945 1.00 0.00 O ATOM 149 CB CYS A 11 5.080 -9.883 -5.376 1.00 0.00 C ATOM 150 SG CYS A 11 4.974 -11.635 -4.927 1.00 0.00 S ATOM 0 H CYS A 11 7.071 -10.515 -6.683 1.00 0.00 H new ATOM 0 HA CYS A 11 4.394 -10.073 -7.368 1.00 0.00 H new ATOM 0 HB2 CYS A 11 5.930 -9.445 -4.853 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.186 -9.380 -5.008 1.00 0.00 H new ATOM 155 N TYR A 12 5.959 -7.314 -6.400 1.00 0.00 N ATOM 156 CA TYR A 12 6.028 -5.877 -6.574 1.00 0.00 C ATOM 157 C TYR A 12 5.954 -5.466 -8.038 1.00 0.00 C ATOM 158 O TYR A 12 5.195 -4.575 -8.381 1.00 0.00 O ATOM 159 CB TYR A 12 7.382 -5.437 -6.037 1.00 0.00 C ATOM 160 CG TYR A 12 7.652 -3.949 -6.178 1.00 0.00 C ATOM 161 CD1 TYR A 12 6.799 -3.033 -5.554 1.00 0.00 C ATOM 162 CD2 TYR A 12 8.740 -3.500 -6.943 1.00 0.00 C ATOM 163 CE1 TYR A 12 7.048 -1.644 -5.658 1.00 0.00 C ATOM 164 CE2 TYR A 12 8.993 -2.113 -7.066 1.00 0.00 C ATOM 165 CZ TYR A 12 8.133 -1.193 -6.434 1.00 0.00 C ATOM 166 OH TYR A 12 8.395 0.142 -6.519 1.00 0.00 O ATOM 0 H TYR A 12 6.585 -7.665 -5.675 1.00 0.00 H new ATOM 0 HA TYR A 12 5.186 -5.418 -6.056 1.00 0.00 H new ATOM 0 HB2 TYR A 12 7.449 -5.709 -4.984 1.00 0.00 H new ATOM 0 HB3 TYR A 12 8.164 -5.988 -6.559 1.00 0.00 H new ATOM 0 HD1 TYR A 12 5.948 -3.387 -4.991 1.00 0.00 H new ATOM 0 HD2 TYR A 12 9.384 -4.213 -7.437 1.00 0.00 H new ATOM 0 HE1 TYR A 12 6.412 -0.936 -5.147 1.00 0.00 H new ATOM 0 HE2 TYR A 12 9.838 -1.763 -7.640 1.00 0.00 H new ATOM 0 HH TYR A 12 9.177 0.286 -7.092 1.00 0.00 H new ATOM 176 N GLN A 13 6.655 -6.203 -8.896 1.00 0.00 N ATOM 177 CA GLN A 13 6.626 -5.948 -10.312 1.00 0.00 C ATOM 178 C GLN A 13 5.188 -5.919 -10.829 1.00 0.00 C ATOM 179 O GLN A 13 4.793 -5.013 -11.545 1.00 0.00 O ATOM 180 CB GLN A 13 7.452 -7.003 -11.053 1.00 0.00 C ATOM 181 CG GLN A 13 7.422 -6.754 -12.564 1.00 0.00 C ATOM 182 CD GLN A 13 8.773 -6.288 -13.067 1.00 0.00 C ATOM 183 OE1 GLN A 13 9.726 -7.047 -13.173 1.00 0.00 O ATOM 184 NE2 GLN A 13 8.866 -5.007 -13.366 1.00 0.00 N ATOM 0 H GLN A 13 7.250 -6.984 -8.621 1.00 0.00 H new ATOM 0 HA GLN A 13 7.067 -4.969 -10.499 1.00 0.00 H new ATOM 0 HB2 GLN A 13 8.482 -6.981 -10.697 1.00 0.00 H new ATOM 0 HB3 GLN A 13 7.060 -7.997 -10.836 1.00 0.00 H new ATOM 0 HG2 GLN A 13 7.134 -7.669 -13.081 1.00 0.00 H new ATOM 0 HG3 GLN A 13 6.665 -6.005 -12.797 1.00 0.00 H new ATOM 0 HE21 GLN A 13 8.052 -4.400 -13.267 1.00 0.00 H new ATOM 0 HE22 GLN A 13 9.751 -4.623 -13.696 1.00 0.00 H new ATOM 193 N GLN A 14 4.414 -6.955 -10.503 1.00 0.00 N ATOM 194 CA GLN A 14 3.020 -7.015 -10.871 1.00 0.00 C ATOM 195 C GLN A 14 2.181 -6.021 -10.070 1.00 0.00 C ATOM 196 O GLN A 14 1.061 -5.718 -10.441 1.00 0.00 O ATOM 197 CB GLN A 14 2.514 -8.454 -10.719 1.00 0.00 C ATOM 198 CG GLN A 14 1.831 -8.676 -9.384 1.00 0.00 C ATOM 199 CD GLN A 14 1.769 -10.137 -9.000 1.00 0.00 C ATOM 200 OE1 GLN A 14 2.203 -10.443 -7.786 1.00 0.00 O flip ATOM 201 NE2 GLN A 14 1.327 -10.978 -9.750 1.00 0.00 N flip ATOM 0 H GLN A 14 4.744 -7.766 -9.980 1.00 0.00 H new ATOM 0 HA GLN A 14 2.917 -6.722 -11.916 1.00 0.00 H new ATOM 0 HB2 GLN A 14 1.817 -8.680 -11.525 1.00 0.00 H new ATOM 0 HB3 GLN A 14 3.351 -9.145 -10.818 1.00 0.00 H new ATOM 0 HG2 GLN A 14 2.364 -8.123 -8.611 1.00 0.00 H new ATOM 0 HG3 GLN A 14 0.820 -8.272 -9.425 1.00 0.00 H new ATOM 0 HE21 GLN A 14 1.000 -10.712 -10.679 1.00 0.00 H new ATOM 0 HE22 GLN A 14 1.281 -11.953 -9.453 1.00 0.00 H new ATOM 210 N MET A 15 2.677 -5.593 -8.912 1.00 0.00 N ATOM 211 CA MET A 15 2.000 -4.667 -8.051 1.00 0.00 C ATOM 212 C MET A 15 1.942 -3.296 -8.690 1.00 0.00 C ATOM 213 O MET A 15 0.852 -2.778 -8.862 1.00 0.00 O ATOM 214 CB MET A 15 2.732 -4.572 -6.722 1.00 0.00 C ATOM 215 CG MET A 15 1.820 -4.003 -5.649 1.00 0.00 C ATOM 216 SD MET A 15 2.731 -2.896 -4.593 1.00 0.00 S ATOM 217 CE MET A 15 3.647 -4.078 -3.632 1.00 0.00 C ATOM 0 H MET A 15 3.582 -5.896 -8.551 1.00 0.00 H new ATOM 0 HA MET A 15 0.984 -5.025 -7.886 1.00 0.00 H new ATOM 0 HB2 MET A 15 3.083 -5.560 -6.422 1.00 0.00 H new ATOM 0 HB3 MET A 15 3.613 -3.940 -6.830 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.988 -3.473 -6.112 1.00 0.00 H new ATOM 0 HG3 MET A 15 1.393 -4.813 -5.057 1.00 0.00 H new ATOM 0 HE1 MET A 15 4.557 -3.612 -3.253 1.00 0.00 H new ATOM 0 HE2 MET A 15 3.037 -4.417 -2.795 1.00 0.00 H new ATOM 0 HE3 MET A 15 3.910 -4.931 -4.258 1.00 0.00 H new ATOM 227 N GLU A 16 3.099 -2.722 -9.012 1.00 0.00 N ATOM 228 CA GLU A 16 3.160 -1.408 -9.622 1.00 0.00 C ATOM 229 C GLU A 16 2.376 -1.402 -10.934 1.00 0.00 C ATOM 230 O GLU A 16 1.847 -0.375 -11.344 1.00 0.00 O ATOM 231 CB GLU A 16 4.622 -1.003 -9.861 1.00 0.00 C ATOM 232 CG GLU A 16 5.131 -1.498 -11.224 1.00 0.00 C ATOM 233 CD GLU A 16 6.649 -1.451 -11.293 1.00 0.00 C ATOM 234 OE1 GLU A 16 7.191 -0.333 -11.448 1.00 0.00 O ATOM 235 OE2 GLU A 16 7.276 -2.539 -11.220 1.00 0.00 O ATOM 0 H GLU A 16 4.010 -3.155 -8.857 1.00 0.00 H new ATOM 0 HA GLU A 16 2.708 -0.681 -8.947 1.00 0.00 H new ATOM 0 HB2 GLU A 16 4.712 0.082 -9.811 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.248 -1.412 -9.068 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.788 -2.518 -11.395 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.709 -0.883 -12.018 1.00 0.00 H new ATOM 242 N GLU A 17 2.294 -2.572 -11.588 1.00 0.00 N ATOM 243 CA GLU A 17 1.585 -2.702 -12.834 1.00 0.00 C ATOM 244 C GLU A 17 0.082 -2.729 -12.581 1.00 0.00 C ATOM 245 O GLU A 17 -0.717 -2.408 -13.456 1.00 0.00 O ATOM 246 CB GLU A 17 2.025 -3.971 -13.563 1.00 0.00 C ATOM 247 CG GLU A 17 1.765 -3.829 -15.068 1.00 0.00 C ATOM 248 CD GLU A 17 1.484 -5.190 -15.707 1.00 0.00 C ATOM 249 OE1 GLU A 17 0.676 -5.961 -15.140 1.00 0.00 O ATOM 250 OE2 GLU A 17 2.076 -5.461 -16.778 1.00 0.00 O ATOM 0 H GLU A 17 2.720 -3.438 -11.256 1.00 0.00 H new ATOM 0 HA GLU A 17 1.818 -1.843 -13.463 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.085 -4.154 -13.384 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.483 -4.832 -13.172 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.917 -3.164 -15.233 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.629 -3.369 -15.548 1.00 0.00 H new ATOM 257 N ALA A 18 -0.320 -3.095 -11.362 1.00 0.00 N ATOM 258 CA ALA A 18 -1.694 -3.143 -10.970 1.00 0.00 C ATOM 259 C ALA A 18 -1.894 -2.305 -9.757 1.00 0.00 C ATOM 260 O ALA A 18 -2.636 -2.772 -8.906 1.00 0.00 O ATOM 261 CB ALA A 18 -2.107 -4.599 -10.759 1.00 0.00 C ATOM 0 H ALA A 18 0.326 -3.367 -10.621 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.334 -2.733 -11.751 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.154 -4.640 -10.460 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.973 -5.154 -11.688 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.489 -5.043 -9.979 1.00 0.00 H new ATOM 267 N GLU A 19 -1.265 -1.131 -9.666 1.00 0.00 N ATOM 268 CA GLU A 19 -1.354 -0.216 -8.553 1.00 0.00 C ATOM 269 C GLU A 19 -2.760 -0.231 -7.948 1.00 0.00 C ATOM 270 O GLU A 19 -3.657 0.535 -8.331 1.00 0.00 O ATOM 271 CB GLU A 19 -0.968 1.203 -8.977 1.00 0.00 C ATOM 272 CG GLU A 19 -1.229 1.445 -10.465 1.00 0.00 C ATOM 273 CD GLU A 19 -1.413 2.928 -10.754 1.00 0.00 C ATOM 274 OE1 GLU A 19 -2.505 3.457 -10.416 1.00 0.00 O ATOM 275 OE2 GLU A 19 -0.475 3.534 -11.319 1.00 0.00 O ATOM 0 H GLU A 19 -0.654 -0.787 -10.407 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.648 -0.547 -7.791 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.533 1.925 -8.387 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.087 1.372 -8.761 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.396 1.058 -11.051 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.119 0.898 -10.775 1.00 0.00 H new ATOM 282 N MET A 20 -2.966 -1.105 -6.953 1.00 0.00 N ATOM 283 CA MET A 20 -4.289 -1.352 -6.410 1.00 0.00 C ATOM 284 C MET A 20 -4.278 -0.740 -5.045 1.00 0.00 C ATOM 285 O MET A 20 -5.280 -0.203 -4.595 1.00 0.00 O ATOM 286 CB MET A 20 -4.592 -2.836 -6.294 1.00 0.00 C ATOM 287 CG MET A 20 -3.734 -3.530 -5.249 1.00 0.00 C ATOM 288 SD MET A 20 -3.260 -5.163 -5.792 1.00 0.00 S ATOM 289 CE MET A 20 -1.698 -4.769 -6.582 1.00 0.00 C ATOM 0 H MET A 20 -2.224 -1.649 -6.513 1.00 0.00 H new ATOM 0 HA MET A 20 -5.053 -0.930 -7.063 1.00 0.00 H new ATOM 0 HB2 MET A 20 -5.644 -2.969 -6.041 1.00 0.00 H new ATOM 0 HB3 MET A 20 -4.434 -3.312 -7.262 1.00 0.00 H new ATOM 0 HG2 MET A 20 -2.842 -2.935 -5.052 1.00 0.00 H new ATOM 0 HG3 MET A 20 -4.284 -3.600 -4.310 1.00 0.00 H new ATOM 0 HE1 MET A 20 -1.515 -5.470 -7.397 1.00 0.00 H new ATOM 0 HE2 MET A 20 -1.736 -3.754 -6.978 1.00 0.00 H new ATOM 0 HE3 MET A 20 -0.892 -4.843 -5.852 1.00 0.00 H new ATOM 299 N LEU A 21 -3.119 -0.742 -4.372 1.00 0.00 N ATOM 300 CA LEU A 21 -2.974 -0.169 -3.062 1.00 0.00 C ATOM 301 C LEU A 21 -2.640 1.315 -3.197 1.00 0.00 C ATOM 302 O LEU A 21 -2.278 1.962 -2.218 1.00 0.00 O ATOM 303 CB LEU A 21 -1.933 -0.954 -2.287 1.00 0.00 C ATOM 304 CG LEU A 21 -2.380 -2.339 -1.790 1.00 0.00 C ATOM 305 CD1 LEU A 21 -1.218 -3.331 -1.806 1.00 0.00 C ATOM 306 CD2 LEU A 21 -3.038 -2.248 -0.409 1.00 0.00 C ATOM 0 H LEU A 21 -2.259 -1.149 -4.740 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.904 -0.233 -2.497 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.054 -1.081 -2.919 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.623 -0.361 -1.426 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.135 -2.716 -2.479 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.563 -4.302 -1.450 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.839 -3.432 -2.823 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.421 -2.969 -1.157 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.343 -3.243 -0.085 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.327 -1.836 0.307 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.913 -1.600 -0.465 1.00 0.00 H new ATOM 318 N ASN A 22 -2.832 1.869 -4.401 1.00 0.00 N ATOM 319 CA ASN A 22 -2.584 3.261 -4.661 1.00 0.00 C ATOM 320 C ASN A 22 -3.840 4.058 -4.351 1.00 0.00 C ATOM 321 O ASN A 22 -3.783 5.185 -3.865 1.00 0.00 O ATOM 322 CB ASN A 22 -2.227 3.472 -6.131 1.00 0.00 C ATOM 323 CG ASN A 22 -0.742 3.702 -6.311 1.00 0.00 C ATOM 324 OD1 ASN A 22 -0.001 2.803 -6.622 1.00 0.00 O ATOM 325 ND2 ASN A 22 -0.310 4.910 -5.995 1.00 0.00 N ATOM 0 H ASN A 22 -3.165 1.349 -5.213 1.00 0.00 H new ATOM 0 HA ASN A 22 -1.755 3.592 -4.035 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -2.535 2.601 -6.710 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -2.779 4.327 -6.522 1.00 0.00 H new ATOM 0 HD21 ASN A 22 0.689 5.114 -6.008 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -0.976 5.639 -5.738 1.00 0.00 H new ATOM 332 N HIS A 23 -5.013 3.465 -4.629 1.00 0.00 N ATOM 333 CA HIS A 23 -6.284 4.114 -4.403 1.00 0.00 C ATOM 334 C HIS A 23 -6.595 4.105 -2.924 1.00 0.00 C ATOM 335 O HIS A 23 -6.783 5.169 -2.348 1.00 0.00 O ATOM 336 CB HIS A 23 -7.384 3.423 -5.205 1.00 0.00 C ATOM 337 CG HIS A 23 -7.178 3.484 -6.692 1.00 0.00 C ATOM 338 ND1 HIS A 23 -7.977 4.200 -7.560 1.00 0.00 N ATOM 339 CD2 HIS A 23 -6.213 2.865 -7.441 1.00 0.00 C ATOM 340 CE1 HIS A 23 -7.515 4.028 -8.809 1.00 0.00 C ATOM 341 NE2 HIS A 23 -6.435 3.214 -8.761 1.00 0.00 N ATOM 0 H HIS A 23 -5.091 2.524 -5.015 1.00 0.00 H new ATOM 0 HA HIS A 23 -6.231 5.149 -4.741 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -7.443 2.379 -4.898 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -8.342 3.882 -4.961 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -5.426 2.225 -7.071 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -7.935 4.466 -9.702 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -5.880 2.910 -9.561 1.00 0.00 H new ATOM 350 N CYS A 24 -6.658 2.909 -2.319 1.00 0.00 N ATOM 351 CA CYS A 24 -6.911 2.781 -0.895 1.00 0.00 C ATOM 352 C CYS A 24 -5.968 3.707 -0.147 1.00 0.00 C ATOM 353 O CYS A 24 -6.363 4.215 0.875 1.00 0.00 O ATOM 354 CB CYS A 24 -6.723 1.340 -0.422 1.00 0.00 C ATOM 355 SG CYS A 24 -8.241 0.414 -0.144 1.00 0.00 S ATOM 0 H CYS A 24 -6.535 2.020 -2.805 1.00 0.00 H new ATOM 0 HA CYS A 24 -7.946 3.057 -0.694 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -6.123 0.808 -1.161 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -6.150 1.352 0.505 1.00 0.00 H new ATOM 360 N GLY A 25 -4.797 4.010 -0.706 1.00 0.00 N ATOM 361 CA GLY A 25 -3.858 4.929 -0.134 1.00 0.00 C ATOM 362 C GLY A 25 -4.327 6.353 -0.249 1.00 0.00 C ATOM 363 O GLY A 25 -4.290 7.073 0.729 1.00 0.00 O ATOM 0 H GLY A 25 -4.483 3.606 -1.588 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.702 4.682 0.916 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -2.895 4.822 -0.633 1.00 0.00 H new ATOM 367 N MET A 26 -4.786 6.775 -1.421 1.00 0.00 N ATOM 368 CA MET A 26 -5.281 8.111 -1.652 1.00 0.00 C ATOM 369 C MET A 26 -6.303 8.481 -0.616 1.00 0.00 C ATOM 370 O MET A 26 -6.252 9.581 -0.144 1.00 0.00 O ATOM 371 CB MET A 26 -5.931 8.186 -3.030 1.00 0.00 C ATOM 372 CG MET A 26 -5.612 9.515 -3.704 1.00 0.00 C ATOM 373 SD MET A 26 -6.746 9.790 -5.088 1.00 0.00 S ATOM 374 CE MET A 26 -5.913 11.191 -5.865 1.00 0.00 C ATOM 0 H MET A 26 -4.822 6.180 -2.249 1.00 0.00 H new ATOM 0 HA MET A 26 -4.441 8.804 -1.593 1.00 0.00 H new ATOM 0 HB2 MET A 26 -5.576 7.363 -3.650 1.00 0.00 H new ATOM 0 HB3 MET A 26 -7.011 8.070 -2.935 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 9.514 -4.061 1.00 0.00 H new ATOM 0 HE1 MET A 26 -6.473 11.504 -6.746 1.00 0.00 H new ATOM 0 HE2 MET A 26 -5.857 12.019 -5.158 1.00 0.00 H new ATOM 0 HE3 MET A 26 -4.906 10.897 -6.160 1.00 0.00 H new ATOM 384 N TYR A 27 -7.180 7.567 -0.228 1.00 0.00 N ATOM 385 CA TYR A 27 -8.181 7.797 0.784 1.00 0.00 C ATOM 386 C TYR A 27 -7.533 8.155 2.113 1.00 0.00 C ATOM 387 O TYR A 27 -8.027 9.000 2.848 1.00 0.00 O ATOM 388 CB TYR A 27 -8.969 6.493 0.914 1.00 0.00 C ATOM 389 CG TYR A 27 -10.002 6.498 2.027 1.00 0.00 C ATOM 390 CD1 TYR A 27 -9.597 6.497 3.373 1.00 0.00 C ATOM 391 CD2 TYR A 27 -11.360 6.478 1.704 1.00 0.00 C ATOM 392 CE1 TYR A 27 -10.548 6.518 4.413 1.00 0.00 C ATOM 393 CE2 TYR A 27 -12.317 6.482 2.741 1.00 0.00 C ATOM 394 CZ TYR A 27 -11.903 6.539 4.080 1.00 0.00 C ATOM 395 OH TYR A 27 -12.864 6.476 5.032 1.00 0.00 O ATOM 0 H TYR A 27 -7.210 6.626 -0.621 1.00 0.00 H new ATOM 0 HA TYR A 27 -8.829 8.629 0.509 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -9.471 6.289 -0.032 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -8.270 5.675 1.086 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -8.544 6.480 3.613 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -11.675 6.460 0.671 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -10.234 6.518 5.446 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -13.370 6.441 2.503 1.00 0.00 H new ATOM 0 HH TYR A 27 -12.446 6.449 5.918 1.00 0.00 H new ATOM 405 N LEU A 28 -6.463 7.440 2.462 1.00 0.00 N ATOM 406 CA LEU A 28 -5.760 7.670 3.701 1.00 0.00 C ATOM 407 C LEU A 28 -4.916 8.926 3.578 1.00 0.00 C ATOM 408 O LEU A 28 -4.819 9.681 4.530 1.00 0.00 O ATOM 409 CB LEU A 28 -4.924 6.442 4.067 1.00 0.00 C ATOM 410 CG LEU A 28 -5.757 5.183 4.341 1.00 0.00 C ATOM 411 CD1 LEU A 28 -5.323 4.053 3.424 1.00 0.00 C ATOM 412 CD2 LEU A 28 -5.640 4.766 5.789 1.00 0.00 C ATOM 0 H LEU A 28 -6.070 6.692 1.890 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.472 7.826 4.512 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.226 6.235 3.256 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.327 6.671 4.950 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.803 5.413 4.138 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.923 3.166 3.630 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.463 4.353 2.386 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.271 3.827 3.597 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.239 3.871 5.960 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.597 4.554 6.024 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.000 5.571 6.430 1.00 0.00 H new ATOM 424 N MET A 29 -4.356 9.190 2.397 1.00 0.00 N ATOM 425 CA MET A 29 -3.550 10.345 2.108 1.00 0.00 C ATOM 426 C MET A 29 -4.399 11.500 1.603 1.00 0.00 C ATOM 427 O MET A 29 -3.907 12.480 1.056 1.00 0.00 O ATOM 428 CB MET A 29 -2.467 9.982 1.100 1.00 0.00 C ATOM 429 CG MET A 29 -1.110 10.509 1.551 1.00 0.00 C ATOM 430 SD MET A 29 -1.077 12.306 1.720 1.00 0.00 S ATOM 431 CE MET A 29 -0.983 12.752 -0.028 1.00 0.00 C ATOM 0 H MET A 29 -4.464 8.572 1.593 1.00 0.00 H new ATOM 0 HA MET A 29 -3.074 10.673 3.032 1.00 0.00 H new ATOM 0 HB2 MET A 29 -2.421 8.899 0.983 1.00 0.00 H new ATOM 0 HB3 MET A 29 -2.718 10.398 0.124 1.00 0.00 H new ATOM 0 HG2 MET A 29 -0.848 10.054 2.506 1.00 0.00 H new ATOM 0 HG3 MET A 29 -0.350 10.202 0.833 1.00 0.00 H new ATOM 0 HE1 MET A 29 -0.128 13.408 -0.191 1.00 0.00 H new ATOM 0 HE2 MET A 29 -0.867 11.849 -0.628 1.00 0.00 H new ATOM 0 HE3 MET A 29 -1.897 13.268 -0.321 1.00 0.00 H new ATOM 441 N LYS A 30 -5.716 11.388 1.742 1.00 0.00 N ATOM 442 CA LYS A 30 -6.638 12.401 1.278 1.00 0.00 C ATOM 443 C LYS A 30 -6.927 13.358 2.417 1.00 0.00 C ATOM 444 O LYS A 30 -7.375 14.474 2.170 1.00 0.00 O ATOM 445 CB LYS A 30 -7.908 11.752 0.722 1.00 0.00 C ATOM 446 CG LYS A 30 -7.973 11.934 -0.806 1.00 0.00 C ATOM 447 CD LYS A 30 -9.422 11.997 -1.288 1.00 0.00 C ATOM 448 CE LYS A 30 -9.581 13.056 -2.383 1.00 0.00 C ATOM 449 NZ LYS A 30 -10.459 14.150 -1.919 1.00 0.00 N ATOM 0 H LYS A 30 -6.169 10.587 2.182 1.00 0.00 H new ATOM 0 HA LYS A 30 -6.196 12.970 0.460 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -7.921 10.691 0.970 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -8.787 12.199 1.187 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.451 12.848 -1.090 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.458 11.108 -1.297 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -9.726 11.023 -1.670 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -10.080 12.231 -0.451 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -8.604 13.456 -2.655 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -10.000 12.600 -3.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -10.557 14.860 -2.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -11.396 13.766 -1.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -10.043 14.595 -1.076 1.00 0.00 H new ATOM 463 N ASN A 31 -6.634 12.931 3.651 1.00 0.00 N ATOM 464 CA ASN A 31 -6.802 13.757 4.822 1.00 0.00 C ATOM 465 C ASN A 31 -5.439 14.043 5.455 1.00 0.00 C ATOM 466 O ASN A 31 -5.319 14.743 6.458 1.00 0.00 O ATOM 467 CB ASN A 31 -7.703 13.041 5.832 1.00 0.00 C ATOM 468 CG ASN A 31 -7.749 13.784 7.155 1.00 0.00 C ATOM 469 OD1 ASN A 31 -7.952 14.981 7.194 1.00 0.00 O ATOM 470 ND2 ASN A 31 -7.506 13.059 8.234 1.00 0.00 N ATOM 0 H ASN A 31 -6.274 11.998 3.852 1.00 0.00 H new ATOM 0 HA ASN A 31 -7.265 14.700 4.533 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -8.711 12.955 5.426 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -7.337 12.027 5.994 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -7.483 13.503 9.152 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -7.342 12.056 8.148 1.00 0.00 H new ATOM 477 N LEU A 32 -4.379 13.456 4.904 1.00 0.00 N ATOM 478 CA LEU A 32 -3.045 13.637 5.418 1.00 0.00 C ATOM 479 C LEU A 32 -2.500 14.977 4.927 1.00 0.00 C ATOM 480 O LEU A 32 -1.608 15.033 4.082 1.00 0.00 O ATOM 481 CB LEU A 32 -2.169 12.448 5.027 1.00 0.00 C ATOM 482 CG LEU A 32 -2.392 11.200 5.875 1.00 0.00 C ATOM 483 CD1 LEU A 32 -1.795 9.979 5.188 1.00 0.00 C ATOM 484 CD2 LEU A 32 -1.775 11.393 7.238 1.00 0.00 C ATOM 0 H LEU A 32 -4.432 12.844 4.090 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.050 13.668 6.508 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.356 12.201 3.982 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.122 12.742 5.102 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.463 11.037 5.992 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.962 9.096 5.805 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.271 9.839 4.217 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.724 10.127 5.049 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.937 10.499 7.840 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.705 11.570 7.131 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.237 12.250 7.729 1.00 0.00 H new ATOM 496 N GLY A 33 -3.050 16.069 5.458 1.00 0.00 N ATOM 497 CA GLY A 33 -2.633 17.406 5.100 1.00 0.00 C ATOM 498 C GLY A 33 -2.371 18.227 6.344 1.00 0.00 C ATOM 499 O GLY A 33 -3.145 18.218 7.298 1.00 0.00 O ATOM 0 H GLY A 33 -3.799 16.041 6.150 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -1.731 17.361 4.489 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.404 17.885 4.496 1.00 0.00 H new ATOM 503 N GLU A 34 -1.286 18.997 6.311 1.00 0.00 N ATOM 504 CA GLU A 34 -0.910 19.850 7.428 1.00 0.00 C ATOM 505 C GLU A 34 -1.506 21.247 7.240 1.00 0.00 C ATOM 506 O GLU A 34 -0.812 22.261 7.168 1.00 0.00 O ATOM 507 CB GLU A 34 0.611 19.908 7.581 1.00 0.00 C ATOM 508 CG GLU A 34 0.996 20.666 8.864 1.00 0.00 C ATOM 509 CD GLU A 34 2.414 21.218 8.770 1.00 0.00 C ATOM 510 OE1 GLU A 34 2.673 22.028 7.851 1.00 0.00 O ATOM 511 OE2 GLU A 34 3.244 20.780 9.593 1.00 0.00 O ATOM 0 H GLU A 34 -0.650 19.045 5.515 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.313 19.426 8.348 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.018 18.897 7.613 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.051 20.401 6.714 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.295 21.483 9.032 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.918 19.998 9.722 1.00 0.00 H new ATOM 518 N ARG A 35 -2.830 21.308 7.067 1.00 0.00 N ATOM 519 CA ARG A 35 -3.523 22.570 6.891 1.00 0.00 C ATOM 520 C ARG A 35 -4.786 22.584 7.725 1.00 0.00 C ATOM 521 O ARG A 35 -5.010 23.509 8.495 1.00 0.00 O ATOM 522 CB ARG A 35 -3.852 22.779 5.411 1.00 0.00 C ATOM 523 CG ARG A 35 -3.479 24.204 4.979 1.00 0.00 C ATOM 524 CD ARG A 35 -4.406 24.690 3.857 1.00 0.00 C ATOM 525 NE ARG A 35 -3.834 24.405 2.526 1.00 0.00 N ATOM 526 CZ ARG A 35 -4.522 24.288 1.410 1.00 0.00 C ATOM 527 NH1 ARG A 35 -5.825 24.431 1.416 1.00 0.00 N ATOM 528 NH2 ARG A 35 -3.911 24.035 0.279 1.00 0.00 N ATOM 0 H ARG A 35 -3.438 20.489 7.046 1.00 0.00 H new ATOM 0 HA ARG A 35 -2.880 23.385 7.223 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -3.309 22.054 4.805 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -4.914 22.606 5.240 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -3.548 24.878 5.833 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -2.444 24.227 4.638 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -5.377 24.204 3.949 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -4.575 25.762 3.961 1.00 0.00 H new ATOM 0 HE ARG A 35 -2.822 24.289 2.466 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -6.312 24.634 2.289 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -6.352 24.339 0.548 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -2.897 23.928 0.260 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -4.449 23.945 -0.583 1.00 0.00 H new ATOM 542 N SER A 36 -5.642 21.581 7.507 1.00 0.00 N ATOM 543 CA SER A 36 -6.894 21.473 8.226 1.00 0.00 C ATOM 544 C SER A 36 -6.804 20.363 9.256 1.00 0.00 C ATOM 545 O SER A 36 -6.184 19.329 9.018 1.00 0.00 O ATOM 546 CB SER A 36 -8.050 21.218 7.262 1.00 0.00 C ATOM 547 OG SER A 36 -9.294 21.512 7.870 1.00 0.00 O ATOM 0 H SER A 36 -5.480 20.833 6.832 1.00 0.00 H new ATOM 0 HA SER A 36 -7.085 22.415 8.739 1.00 0.00 H new ATOM 0 HB2 SER A 36 -7.925 21.830 6.369 1.00 0.00 H new ATOM 0 HB3 SER A 36 -8.036 20.177 6.940 1.00 0.00 H new ATOM 0 HG SER A 36 -10.018 21.342 7.232 1.00 0.00 H new ATOM 553 N GLN A 37 -7.470 20.566 10.391 1.00 0.00 N ATOM 554 CA GLN A 37 -7.475 19.593 11.464 1.00 0.00 C ATOM 555 C GLN A 37 -8.792 18.839 11.468 1.00 0.00 C ATOM 556 O GLN A 37 -9.821 19.355 11.899 1.00 0.00 O ATOM 557 CB GLN A 37 -7.227 20.266 12.813 1.00 0.00 C ATOM 558 CG GLN A 37 -5.730 20.513 13.024 1.00 0.00 C ATOM 559 CD GLN A 37 -5.492 21.384 14.246 1.00 0.00 C ATOM 560 OE1 GLN A 37 -5.296 22.584 14.164 1.00 0.00 O ATOM 561 NE2 GLN A 37 -5.542 20.762 15.413 1.00 0.00 N ATOM 0 H GLN A 37 -8.016 21.406 10.585 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.665 18.883 11.297 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -7.767 21.212 12.859 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.614 19.638 13.616 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -5.214 19.561 13.145 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -5.309 20.994 12.141 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -5.708 19.756 15.448 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -5.415 21.288 16.277 1.00 0.00 H new ATOM 570 N VAL A 38 -8.761 17.612 10.961 1.00 0.00 N ATOM 571 CA VAL A 38 -9.937 16.767 10.915 1.00 0.00 C ATOM 572 C VAL A 38 -9.514 15.307 10.909 1.00 0.00 C ATOM 573 O VAL A 38 -8.404 14.957 10.500 1.00 0.00 O ATOM 574 CB VAL A 38 -10.791 17.152 9.698 1.00 0.00 C ATOM 575 CG1 VAL A 38 -10.107 16.797 8.385 1.00 0.00 C ATOM 576 CG2 VAL A 38 -12.177 16.505 9.778 1.00 0.00 C ATOM 0 H VAL A 38 -7.922 17.181 10.573 1.00 0.00 H new ATOM 0 HA VAL A 38 -10.555 16.914 11.801 1.00 0.00 H new ATOM 0 HB VAL A 38 -10.911 18.235 9.719 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -10.747 17.087 7.551 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -9.157 17.327 8.315 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -9.927 15.723 8.347 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -12.764 16.792 8.905 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -12.071 15.420 9.803 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -12.684 16.841 10.682 1.00 0.00 H new ATOM 586 N SER A 39 -10.412 14.433 11.366 1.00 0.00 N ATOM 587 CA SER A 39 -10.149 13.006 11.404 1.00 0.00 C ATOM 588 C SER A 39 -11.364 12.239 10.896 1.00 0.00 C ATOM 589 O SER A 39 -12.126 11.652 11.666 1.00 0.00 O ATOM 590 CB SER A 39 -9.767 12.571 12.813 1.00 0.00 C ATOM 591 OG SER A 39 -8.690 11.654 12.790 1.00 0.00 O ATOM 0 H SER A 39 -11.333 14.698 11.716 1.00 0.00 H new ATOM 0 HA SER A 39 -9.307 12.781 10.750 1.00 0.00 H new ATOM 0 HB2 SER A 39 -9.492 13.444 13.404 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.627 12.114 13.301 1.00 0.00 H new ATOM 0 HG SER A 39 -8.464 11.392 13.707 1.00 0.00 H new ATOM 597 N PRO A 40 -11.573 12.274 9.572 1.00 0.00 N ATOM 598 CA PRO A 40 -12.669 11.578 8.937 1.00 0.00 C ATOM 599 C PRO A 40 -12.445 10.081 8.917 1.00 0.00 C ATOM 600 O PRO A 40 -11.932 9.545 7.946 1.00 0.00 O ATOM 601 CB PRO A 40 -12.837 12.187 7.545 1.00 0.00 C ATOM 602 CG PRO A 40 -11.499 12.868 7.254 1.00 0.00 C ATOM 603 CD PRO A 40 -10.751 12.954 8.587 1.00 0.00 C ATOM 0 HA PRO A 40 -13.594 11.705 9.500 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -13.061 11.421 6.802 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -13.659 12.903 7.523 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -10.925 12.297 6.524 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -11.654 13.861 6.832 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -9.770 12.485 8.511 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -10.586 13.993 8.872 1.00 0.00 H new ATOM 611 N ARG A 41 -12.858 9.401 10.001 1.00 0.00 N ATOM 612 CA ARG A 41 -12.681 7.963 10.122 1.00 0.00 C ATOM 613 C ARG A 41 -13.168 7.291 8.848 1.00 0.00 C ATOM 614 O ARG A 41 -12.397 6.639 8.146 1.00 0.00 O ATOM 615 CB ARG A 41 -13.446 7.430 11.334 1.00 0.00 C ATOM 616 CG ARG A 41 -12.501 6.681 12.277 1.00 0.00 C ATOM 617 CD ARG A 41 -13.113 6.571 13.679 1.00 0.00 C ATOM 618 NE ARG A 41 -12.202 7.127 14.701 1.00 0.00 N ATOM 619 CZ ARG A 41 -12.363 7.023 16.004 1.00 0.00 C ATOM 620 NH1 ARG A 41 -13.401 6.389 16.492 1.00 0.00 N ATOM 621 NH2 ARG A 41 -11.494 7.554 16.826 1.00 0.00 N ATOM 0 H ARG A 41 -13.317 9.835 10.802 1.00 0.00 H new ATOM 0 HA ARG A 41 -11.624 7.740 10.266 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -13.920 8.256 11.865 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -14.243 6.764 11.004 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -12.300 5.685 11.883 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -11.545 7.202 12.331 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -14.064 7.103 13.707 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -13.325 5.526 13.906 1.00 0.00 H new ATOM 0 HE ARG A 41 -11.381 7.633 14.370 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -14.088 5.974 15.862 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -13.522 6.311 17.502 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -10.684 8.053 16.459 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -11.627 7.468 17.834 1.00 0.00 H new ATOM 635 N MET A 42 -14.470 7.445 8.581 1.00 0.00 N ATOM 636 CA MET A 42 -15.088 6.830 7.431 1.00 0.00 C ATOM 637 C MET A 42 -16.164 7.708 6.866 1.00 0.00 C ATOM 638 O MET A 42 -17.003 8.178 7.629 1.00 0.00 O ATOM 639 CB MET A 42 -15.690 5.482 7.803 1.00 0.00 C ATOM 640 CG MET A 42 -14.797 4.716 8.775 1.00 0.00 C ATOM 641 SD MET A 42 -15.290 2.997 8.871 1.00 0.00 S ATOM 642 CE MET A 42 -15.038 2.717 10.635 1.00 0.00 C ATOM 0 H MET A 42 -15.107 7.995 9.157 1.00 0.00 H new ATOM 0 HA MET A 42 -14.312 6.687 6.679 1.00 0.00 H new ATOM 0 HB2 MET A 42 -16.672 5.633 8.252 1.00 0.00 H new ATOM 0 HB3 MET A 42 -15.840 4.889 6.901 1.00 0.00 H new ATOM 0 HG2 MET A 42 -13.758 4.784 8.452 1.00 0.00 H new ATOM 0 HG3 MET A 42 -14.854 5.171 9.764 1.00 0.00 H new ATOM 0 HE1 MET A 42 -15.298 1.687 10.881 1.00 0.00 H new ATOM 0 HE2 MET A 42 -13.993 2.898 10.886 1.00 0.00 H new ATOM 0 HE3 MET A 42 -15.671 3.397 11.205 1.00 0.00 H new ATOM 652 N ARG A 43 -16.133 7.907 5.548 1.00 0.00 N ATOM 653 CA ARG A 43 -17.082 8.769 4.856 1.00 0.00 C ATOM 654 C ARG A 43 -16.596 9.130 3.476 1.00 0.00 C ATOM 655 O ARG A 43 -17.442 9.400 2.632 1.00 0.00 O ATOM 656 CB ARG A 43 -17.337 10.080 5.627 1.00 0.00 C ATOM 657 CG ARG A 43 -16.018 10.684 6.155 1.00 0.00 C ATOM 658 CD ARG A 43 -15.795 12.079 5.588 1.00 0.00 C ATOM 659 NE ARG A 43 -16.249 13.109 6.541 1.00 0.00 N ATOM 660 CZ ARG A 43 -16.405 14.385 6.255 1.00 0.00 C ATOM 661 NH1 ARG A 43 -16.161 14.830 5.046 1.00 0.00 N ATOM 662 NH2 ARG A 43 -16.812 15.224 7.180 1.00 0.00 N ATOM 0 H ARG A 43 -15.446 7.472 4.932 1.00 0.00 H new ATOM 0 HA ARG A 43 -18.008 8.198 4.788 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -17.833 10.798 4.974 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -18.012 9.889 6.461 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -16.044 10.729 7.244 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -15.183 10.039 5.883 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -14.737 12.222 5.367 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -16.334 12.185 4.647 1.00 0.00 H new ATOM 0 HE ARG A 43 -16.458 12.810 7.494 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -15.848 14.186 4.319 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -16.284 15.820 4.832 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -17.008 14.888 8.123 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -16.932 16.212 6.956 1.00 0.00 H new ATOM 676 N GLU A 44 -15.262 9.179 3.314 1.00 0.00 N ATOM 677 CA GLU A 44 -14.652 9.519 2.048 1.00 0.00 C ATOM 678 C GLU A 44 -15.389 8.822 0.911 1.00 0.00 C ATOM 679 O GLU A 44 -16.084 7.826 1.147 1.00 0.00 O ATOM 680 CB GLU A 44 -13.170 9.151 2.039 1.00 0.00 C ATOM 681 CG GLU A 44 -12.295 10.333 1.636 1.00 0.00 C ATOM 682 CD GLU A 44 -11.838 11.104 2.876 1.00 0.00 C ATOM 683 OE1 GLU A 44 -12.716 11.397 3.725 1.00 0.00 O ATOM 684 OE2 GLU A 44 -10.632 11.426 2.928 1.00 0.00 O ATOM 0 H GLU A 44 -14.594 8.983 4.060 1.00 0.00 H new ATOM 0 HA GLU A 44 -14.727 10.597 1.905 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -12.876 8.802 3.029 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -13.005 8.324 1.348 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -11.427 9.979 1.080 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -12.850 10.995 0.972 1.00 0.00 H new ATOM 691 N GLU A 45 -15.197 9.335 -0.304 1.00 0.00 N ATOM 692 CA GLU A 45 -15.851 8.774 -1.463 1.00 0.00 C ATOM 693 C GLU A 45 -15.670 7.247 -1.499 1.00 0.00 C ATOM 694 O GLU A 45 -14.927 6.610 -0.734 1.00 0.00 O ATOM 695 CB GLU A 45 -15.310 9.419 -2.746 1.00 0.00 C ATOM 696 CG GLU A 45 -16.456 9.697 -3.738 1.00 0.00 C ATOM 697 CD GLU A 45 -16.301 8.905 -5.032 1.00 0.00 C ATOM 698 OE1 GLU A 45 -15.855 7.742 -4.922 1.00 0.00 O ATOM 699 OE2 GLU A 45 -16.359 9.528 -6.109 1.00 0.00 O ATOM 0 H GLU A 45 -14.595 10.135 -0.500 1.00 0.00 H new ATOM 0 HA GLU A 45 -16.918 8.987 -1.397 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -14.798 10.350 -2.503 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -14.574 8.761 -3.208 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -17.408 9.445 -3.271 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -16.486 10.762 -3.967 1.00 0.00 H new ATOM 706 N ASP A 46 -16.308 6.610 -2.464 1.00 0.00 N ATOM 707 CA ASP A 46 -16.209 5.189 -2.659 1.00 0.00 C ATOM 708 C ASP A 46 -14.841 4.824 -3.208 1.00 0.00 C ATOM 709 O ASP A 46 -14.646 4.582 -4.393 1.00 0.00 O ATOM 710 CB ASP A 46 -17.286 4.670 -3.614 1.00 0.00 C ATOM 711 CG ASP A 46 -17.539 5.564 -4.833 1.00 0.00 C ATOM 712 OD1 ASP A 46 -18.278 6.556 -4.614 1.00 0.00 O ATOM 713 OD2 ASP A 46 -17.056 5.182 -5.930 1.00 0.00 O ATOM 0 H ASP A 46 -16.915 7.077 -3.138 1.00 0.00 H new ATOM 0 HA ASP A 46 -16.356 4.721 -1.686 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -16.999 3.677 -3.961 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -18.219 4.557 -3.062 1.00 0.00 H new ATOM 718 N HIS A 47 -13.824 4.754 -2.346 1.00 0.00 N ATOM 719 CA HIS A 47 -12.471 4.439 -2.740 1.00 0.00 C ATOM 720 C HIS A 47 -11.868 3.507 -1.726 1.00 0.00 C ATOM 721 O HIS A 47 -11.141 3.951 -0.846 1.00 0.00 O ATOM 722 CB HIS A 47 -11.649 5.710 -2.963 1.00 0.00 C ATOM 723 CG HIS A 47 -11.722 6.224 -4.374 1.00 0.00 C ATOM 724 ND1 HIS A 47 -12.900 6.524 -5.034 1.00 0.00 N ATOM 725 CD2 HIS A 47 -10.694 6.500 -5.230 1.00 0.00 C ATOM 726 CE1 HIS A 47 -12.604 6.947 -6.273 1.00 0.00 C ATOM 727 NE2 HIS A 47 -11.259 6.950 -6.409 1.00 0.00 N ATOM 0 H HIS A 47 -13.930 4.918 -1.345 1.00 0.00 H new ATOM 0 HA HIS A 47 -12.473 3.925 -3.701 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -12.000 6.486 -2.282 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -10.608 5.510 -2.709 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -9.640 6.388 -5.025 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -13.317 7.235 -7.031 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -10.746 7.237 -7.243 1.00 0.00 H new ATOM 736 N LYS A 48 -12.123 2.206 -1.874 1.00 0.00 N ATOM 737 CA LYS A 48 -11.588 1.201 -0.973 1.00 0.00 C ATOM 738 C LYS A 48 -11.610 -0.160 -1.612 1.00 0.00 C ATOM 739 O LYS A 48 -10.554 -0.671 -1.957 1.00 0.00 O ATOM 740 CB LYS A 48 -12.368 1.214 0.347 1.00 0.00 C ATOM 741 CG LYS A 48 -11.465 1.701 1.495 1.00 0.00 C ATOM 742 CD LYS A 48 -11.714 3.179 1.812 1.00 0.00 C ATOM 743 CE LYS A 48 -12.358 3.345 3.181 1.00 0.00 C ATOM 744 NZ LYS A 48 -13.604 4.127 3.078 1.00 0.00 N ATOM 0 H LYS A 48 -12.705 1.827 -2.621 1.00 0.00 H new ATOM 0 HA LYS A 48 -10.547 1.440 -0.757 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -13.237 1.865 0.257 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -12.741 0.214 0.567 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.650 1.100 2.385 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.419 1.556 1.224 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.771 3.724 1.782 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -12.358 3.614 1.048 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.571 2.366 3.609 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.664 3.844 3.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -14.354 3.659 3.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -13.445 5.084 3.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -13.893 4.190 2.081 1.00 0.00 H new ATOM 758 N GLN A 49 -12.814 -0.675 -1.886 1.00 0.00 N ATOM 759 CA GLN A 49 -12.974 -1.965 -2.528 1.00 0.00 C ATOM 760 C GLN A 49 -12.137 -2.021 -3.784 1.00 0.00 C ATOM 761 O GLN A 49 -11.762 -3.104 -4.160 1.00 0.00 O ATOM 762 CB GLN A 49 -14.441 -2.210 -2.888 1.00 0.00 C ATOM 763 CG GLN A 49 -15.016 -3.350 -2.042 1.00 0.00 C ATOM 764 CD GLN A 49 -16.533 -3.393 -2.123 1.00 0.00 C ATOM 765 OE1 GLN A 49 -17.136 -3.237 -3.170 1.00 0.00 O ATOM 766 NE2 GLN A 49 -17.162 -3.589 -0.978 1.00 0.00 N ATOM 0 H GLN A 49 -13.693 -0.206 -1.667 1.00 0.00 H new ATOM 0 HA GLN A 49 -12.646 -2.737 -1.832 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -15.019 -1.300 -2.725 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -14.526 -2.456 -3.947 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -14.605 -4.300 -2.383 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -14.709 -3.224 -1.004 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -16.628 -3.716 -0.118 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -18.181 -3.613 -0.954 1.00 0.00 H new ATOM 775 N LEU A 50 -11.796 -0.880 -4.385 1.00 0.00 N ATOM 776 CA LEU A 50 -10.950 -0.796 -5.542 1.00 0.00 C ATOM 777 C LEU A 50 -9.614 -1.469 -5.253 1.00 0.00 C ATOM 778 O LEU A 50 -9.164 -2.328 -5.987 1.00 0.00 O ATOM 779 CB LEU A 50 -10.769 0.666 -5.952 1.00 0.00 C ATOM 780 CG LEU A 50 -12.080 1.379 -6.345 1.00 0.00 C ATOM 781 CD1 LEU A 50 -12.078 2.796 -5.772 1.00 0.00 C ATOM 782 CD2 LEU A 50 -12.260 1.396 -7.858 1.00 0.00 C ATOM 0 H LEU A 50 -12.119 0.031 -4.058 1.00 0.00 H new ATOM 0 HA LEU A 50 -11.416 -1.319 -6.377 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -10.306 1.208 -5.127 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -10.077 0.713 -6.793 1.00 0.00 H new ATOM 0 HG LEU A 50 -12.924 0.831 -5.926 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -13.003 3.302 -6.048 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -12.001 2.749 -4.686 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -11.229 3.349 -6.173 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -13.191 1.904 -8.108 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -11.424 1.923 -8.318 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -12.293 0.373 -8.232 1.00 0.00 H new ATOM 794 N CYS A 51 -8.946 -1.092 -4.169 1.00 0.00 N ATOM 795 CA CYS A 51 -7.707 -1.713 -3.773 1.00 0.00 C ATOM 796 C CYS A 51 -7.938 -3.166 -3.455 1.00 0.00 C ATOM 797 O CYS A 51 -7.174 -3.990 -3.936 1.00 0.00 O ATOM 798 CB CYS A 51 -7.101 -0.987 -2.576 1.00 0.00 C ATOM 799 SG CYS A 51 -7.752 -1.379 -0.922 1.00 0.00 S ATOM 0 H CYS A 51 -9.256 -0.346 -3.546 1.00 0.00 H new ATOM 0 HA CYS A 51 -7.001 -1.646 -4.600 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -6.030 -1.189 -2.570 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -7.223 0.084 -2.738 1.00 0.00 H new ATOM 804 N CYS A 52 -9.035 -3.473 -2.751 1.00 0.00 N ATOM 805 CA CYS A 52 -9.404 -4.833 -2.427 1.00 0.00 C ATOM 806 C CYS A 52 -9.840 -5.566 -3.700 1.00 0.00 C ATOM 807 O CYS A 52 -10.071 -6.766 -3.679 1.00 0.00 O ATOM 808 CB CYS A 52 -10.480 -4.870 -1.341 1.00 0.00 C ATOM 809 SG CYS A 52 -9.809 -4.683 0.336 1.00 0.00 S ATOM 0 H CYS A 52 -9.686 -2.773 -2.394 1.00 0.00 H new ATOM 0 HA CYS A 52 -8.536 -5.351 -2.019 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -11.203 -4.075 -1.527 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -11.021 -5.814 -1.406 1.00 0.00 H new ATOM 814 N MET A 53 -9.919 -4.850 -4.824 1.00 0.00 N ATOM 815 CA MET A 53 -10.375 -5.370 -6.074 1.00 0.00 C ATOM 816 C MET A 53 -9.208 -6.049 -6.744 1.00 0.00 C ATOM 817 O MET A 53 -9.192 -7.265 -6.898 1.00 0.00 O ATOM 818 CB MET A 53 -10.910 -4.251 -6.966 1.00 0.00 C ATOM 819 CG MET A 53 -11.927 -4.776 -7.954 1.00 0.00 C ATOM 820 SD MET A 53 -11.498 -4.279 -9.639 1.00 0.00 S ATOM 821 CE MET A 53 -10.255 -5.545 -9.996 1.00 0.00 C ATOM 0 H MET A 53 -9.655 -3.866 -4.870 1.00 0.00 H new ATOM 0 HA MET A 53 -11.188 -6.076 -5.906 1.00 0.00 H new ATOM 0 HB2 MET A 53 -11.366 -3.477 -6.348 1.00 0.00 H new ATOM 0 HB3 MET A 53 -10.084 -3.785 -7.504 1.00 0.00 H new ATOM 0 HG2 MET A 53 -11.975 -5.863 -7.891 1.00 0.00 H new ATOM 0 HG3 MET A 53 -12.917 -4.398 -7.699 1.00 0.00 H new ATOM 0 HE1 MET A 53 -10.242 -5.750 -11.066 1.00 0.00 H new ATOM 0 HE2 MET A 53 -9.273 -5.190 -9.683 1.00 0.00 H new ATOM 0 HE3 MET A 53 -10.500 -6.459 -9.454 1.00 0.00 H new ATOM 831 N GLN A 54 -8.216 -5.263 -7.180 1.00 0.00 N ATOM 832 CA GLN A 54 -7.060 -5.799 -7.859 1.00 0.00 C ATOM 833 C GLN A 54 -6.272 -6.675 -6.912 1.00 0.00 C ATOM 834 O GLN A 54 -5.595 -7.585 -7.348 1.00 0.00 O ATOM 835 CB GLN A 54 -6.165 -4.681 -8.366 1.00 0.00 C ATOM 836 CG GLN A 54 -6.438 -4.361 -9.829 1.00 0.00 C ATOM 837 CD GLN A 54 -7.321 -3.131 -9.994 1.00 0.00 C ATOM 838 OE1 GLN A 54 -7.672 -2.419 -9.063 1.00 0.00 O ATOM 839 NE2 GLN A 54 -7.731 -2.890 -11.225 1.00 0.00 N ATOM 0 H GLN A 54 -8.204 -4.249 -7.067 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.405 -6.387 -8.709 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -6.322 -3.787 -7.762 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -5.120 -4.968 -8.245 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -5.492 -4.199 -10.346 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -6.918 -5.217 -10.303 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -7.429 -3.493 -11.990 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -8.350 -2.101 -11.411 1.00 0.00 H new ATOM 848 N LEU A 55 -6.348 -6.422 -5.607 1.00 0.00 N ATOM 849 CA LEU A 55 -5.669 -7.232 -4.622 1.00 0.00 C ATOM 850 C LEU A 55 -6.088 -8.684 -4.776 1.00 0.00 C ATOM 851 O LEU A 55 -5.287 -9.575 -4.563 1.00 0.00 O ATOM 852 CB LEU A 55 -5.975 -6.700 -3.235 1.00 0.00 C ATOM 853 CG LEU A 55 -4.888 -5.795 -2.625 1.00 0.00 C ATOM 854 CD1 LEU A 55 -5.484 -4.610 -1.852 1.00 0.00 C ATOM 855 CD2 LEU A 55 -3.928 -6.592 -1.744 1.00 0.00 C ATOM 0 H LEU A 55 -6.884 -5.649 -5.212 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.590 -7.181 -4.771 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.910 -6.141 -3.276 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.138 -7.546 -2.567 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.320 -5.383 -3.460 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.678 -4.002 -1.441 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.089 -4.004 -2.526 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.108 -4.982 -1.040 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.174 -5.923 -1.330 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.484 -7.060 -0.931 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.441 -7.362 -2.341 1.00 0.00 H new ATOM 867 N LYS A 56 -7.317 -8.929 -5.238 1.00 0.00 N ATOM 868 CA LYS A 56 -7.790 -10.271 -5.501 1.00 0.00 C ATOM 869 C LYS A 56 -7.078 -10.862 -6.719 1.00 0.00 C ATOM 870 O LYS A 56 -6.996 -12.068 -6.878 1.00 0.00 O ATOM 871 CB LYS A 56 -9.315 -10.246 -5.635 1.00 0.00 C ATOM 872 CG LYS A 56 -9.854 -11.640 -5.984 1.00 0.00 C ATOM 873 CD LYS A 56 -10.895 -12.102 -4.965 1.00 0.00 C ATOM 874 CE LYS A 56 -11.127 -13.610 -5.078 1.00 0.00 C ATOM 875 NZ LYS A 56 -11.886 -14.098 -3.909 1.00 0.00 N ATOM 0 H LYS A 56 -8.002 -8.199 -5.436 1.00 0.00 H new ATOM 0 HA LYS A 56 -7.548 -10.932 -4.669 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -9.761 -9.902 -4.702 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -9.605 -9.535 -6.408 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -10.299 -11.622 -6.979 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -9.031 -12.354 -6.016 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -10.560 -11.855 -3.958 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -11.833 -11.571 -5.129 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -11.673 -13.834 -5.994 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -10.170 -14.129 -5.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -12.038 -15.123 -3.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -11.350 -13.900 -3.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -12.806 -13.615 -3.866 1.00 0.00 H new ATOM 889 N ASN A 57 -6.625 -10.009 -7.629 1.00 0.00 N ATOM 890 CA ASN A 57 -5.865 -10.417 -8.781 1.00 0.00 C ATOM 891 C ASN A 57 -4.418 -10.736 -8.406 1.00 0.00 C ATOM 892 O ASN A 57 -3.715 -11.375 -9.182 1.00 0.00 O ATOM 893 CB ASN A 57 -5.876 -9.309 -9.842 1.00 0.00 C ATOM 894 CG ASN A 57 -6.807 -9.642 -10.977 1.00 0.00 C ATOM 895 OD1 ASN A 57 -6.589 -10.535 -11.773 1.00 0.00 O ATOM 896 ND2 ASN A 57 -7.907 -8.912 -11.036 1.00 0.00 N ATOM 0 H ASN A 57 -6.783 -9.003 -7.578 1.00 0.00 H new ATOM 0 HA ASN A 57 -6.330 -11.318 -9.181 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -6.181 -8.368 -9.384 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.867 -9.163 -10.228 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -8.600 -9.091 -11.763 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -8.063 -8.169 -10.355 1.00 0.00 H new ATOM 903 N LEU A 58 -3.958 -10.206 -7.270 1.00 0.00 N ATOM 904 CA LEU A 58 -2.625 -10.449 -6.799 1.00 0.00 C ATOM 905 C LEU A 58 -2.524 -11.850 -6.202 1.00 0.00 C ATOM 906 O LEU A 58 -3.523 -12.534 -5.974 1.00 0.00 O ATOM 907 CB LEU A 58 -2.216 -9.341 -5.817 1.00 0.00 C ATOM 908 CG LEU A 58 -1.339 -8.248 -6.429 1.00 0.00 C ATOM 909 CD1 LEU A 58 -0.778 -7.345 -5.328 1.00 0.00 C ATOM 910 CD2 LEU A 58 -0.205 -8.843 -7.219 1.00 0.00 C ATOM 0 H LEU A 58 -4.511 -9.600 -6.664 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.919 -10.417 -7.629 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.117 -8.882 -5.410 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.683 -9.792 -4.980 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.959 -7.658 -7.104 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.155 -6.570 -5.775 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.601 -6.880 -4.784 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.178 -7.940 -4.639 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.402 -8.043 -7.643 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.411 -9.458 -6.564 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.606 -9.459 -8.024 1.00 0.00 H new ATOM 922 N ASP A 59 -1.291 -12.267 -5.923 1.00 0.00 N ATOM 923 CA ASP A 59 -1.041 -13.581 -5.368 1.00 0.00 C ATOM 924 C ASP A 59 -1.207 -13.503 -3.876 1.00 0.00 C ATOM 925 O ASP A 59 -0.658 -12.593 -3.268 1.00 0.00 O ATOM 926 CB ASP A 59 0.376 -14.051 -5.701 1.00 0.00 C ATOM 927 CG ASP A 59 0.424 -15.467 -6.277 1.00 0.00 C ATOM 928 OD1 ASP A 59 0.565 -16.403 -5.457 1.00 0.00 O ATOM 929 OD2 ASP A 59 0.394 -15.574 -7.520 1.00 0.00 O ATOM 0 H ASP A 59 -0.452 -11.707 -6.075 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.745 -14.294 -5.796 1.00 0.00 H new ATOM 0 HB2 ASP A 59 0.822 -13.360 -6.416 1.00 0.00 H new ATOM 0 HB3 ASP A 59 0.986 -14.013 -4.798 1.00 0.00 H new ATOM 934 N GLU A 60 -1.881 -14.465 -3.264 1.00 0.00 N ATOM 935 CA GLU A 60 -2.089 -14.494 -1.829 1.00 0.00 C ATOM 936 C GLU A 60 -0.763 -14.350 -1.086 1.00 0.00 C ATOM 937 O GLU A 60 -0.660 -13.663 -0.072 1.00 0.00 O ATOM 938 CB GLU A 60 -2.753 -15.813 -1.421 1.00 0.00 C ATOM 939 CG GLU A 60 -3.719 -15.585 -0.251 1.00 0.00 C ATOM 940 CD GLU A 60 -3.308 -16.402 0.972 1.00 0.00 C ATOM 941 OE1 GLU A 60 -2.219 -16.117 1.515 1.00 0.00 O ATOM 942 OE2 GLU A 60 -4.067 -17.326 1.328 1.00 0.00 O ATOM 0 H GLU A 60 -2.302 -15.253 -3.756 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.737 -13.658 -1.564 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.292 -16.234 -2.270 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -1.991 -16.538 -1.136 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.739 -14.526 0.006 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.730 -15.860 -0.552 1.00 0.00 H new ATOM 949 N LYS A 61 0.309 -14.919 -1.663 1.00 0.00 N ATOM 950 CA LYS A 61 1.632 -14.798 -1.101 1.00 0.00 C ATOM 951 C LYS A 61 2.137 -13.400 -1.303 1.00 0.00 C ATOM 952 O LYS A 61 2.880 -12.937 -0.478 1.00 0.00 O ATOM 953 CB LYS A 61 2.550 -15.855 -1.717 1.00 0.00 C ATOM 954 CG LYS A 61 2.830 -16.964 -0.687 1.00 0.00 C ATOM 955 CD LYS A 61 4.000 -17.842 -1.149 1.00 0.00 C ATOM 956 CE LYS A 61 4.383 -18.846 -0.057 1.00 0.00 C ATOM 957 NZ LYS A 61 5.704 -19.439 -0.347 1.00 0.00 N ATOM 0 H LYS A 61 0.267 -15.467 -2.522 1.00 0.00 H new ATOM 0 HA LYS A 61 1.609 -14.980 -0.027 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.085 -16.280 -2.606 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.486 -15.396 -2.035 1.00 0.00 H new ATOM 0 HG2 LYS A 61 3.061 -16.520 0.281 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.939 -17.577 -0.552 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.725 -18.374 -2.060 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.858 -17.216 -1.392 1.00 0.00 H new ATOM 0 HE2 LYS A 61 4.405 -18.348 0.913 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.630 -19.631 0.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.952 -20.118 0.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.670 -19.930 -1.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.422 -18.687 -0.383 1.00 0.00 H new ATOM 971 N CYS A 62 1.822 -12.745 -2.411 1.00 0.00 N ATOM 972 CA CYS A 62 2.164 -11.371 -2.670 1.00 0.00 C ATOM 973 C CYS A 62 1.248 -10.431 -1.884 1.00 0.00 C ATOM 974 O CYS A 62 1.563 -9.263 -1.705 1.00 0.00 O ATOM 975 CB CYS A 62 2.083 -11.084 -4.166 1.00 0.00 C ATOM 976 SG CYS A 62 3.041 -12.195 -5.224 1.00 0.00 S ATOM 0 H CYS A 62 1.303 -13.178 -3.175 1.00 0.00 H new ATOM 0 HA CYS A 62 3.188 -11.196 -2.340 1.00 0.00 H new ATOM 0 HB2 CYS A 62 1.038 -11.131 -4.471 1.00 0.00 H new ATOM 0 HB3 CYS A 62 2.421 -10.063 -4.341 1.00 0.00 H new ATOM 981 N MET A 63 0.169 -10.936 -1.305 1.00 0.00 N ATOM 982 CA MET A 63 -0.771 -10.168 -0.549 1.00 0.00 C ATOM 983 C MET A 63 -0.321 -10.112 0.881 1.00 0.00 C ATOM 984 O MET A 63 -0.949 -10.612 1.778 1.00 0.00 O ATOM 985 CB MET A 63 -2.143 -10.794 -0.658 1.00 0.00 C ATOM 986 CG MET A 63 -2.712 -10.685 -2.056 1.00 0.00 C ATOM 987 SD MET A 63 -4.484 -10.460 -1.989 1.00 0.00 S ATOM 988 CE MET A 63 -4.957 -11.941 -1.082 1.00 0.00 C ATOM 0 H MET A 63 -0.072 -11.926 -1.359 1.00 0.00 H new ATOM 0 HA MET A 63 -0.826 -9.152 -0.941 1.00 0.00 H new ATOM 0 HB2 MET A 63 -2.085 -11.844 -0.372 1.00 0.00 H new ATOM 0 HB3 MET A 63 -2.819 -10.309 0.046 1.00 0.00 H new ATOM 0 HG2 MET A 63 -2.252 -9.847 -2.579 1.00 0.00 H new ATOM 0 HG3 MET A 63 -2.474 -11.584 -2.624 1.00 0.00 H new ATOM 0 HE1 MET A 63 -6.007 -11.874 -0.797 1.00 0.00 H new ATOM 0 HE2 MET A 63 -4.808 -12.817 -1.713 1.00 0.00 H new ATOM 0 HE3 MET A 63 -4.343 -12.030 -0.186 1.00 0.00 H new ATOM 998 N CYS A 64 0.795 -9.459 1.150 1.00 0.00 N ATOM 999 CA CYS A 64 1.369 -9.337 2.480 1.00 0.00 C ATOM 1000 C CYS A 64 2.764 -8.745 2.363 1.00 0.00 C ATOM 1001 O CYS A 64 3.031 -7.693 2.937 1.00 0.00 O ATOM 1002 CB CYS A 64 1.398 -10.679 3.232 1.00 0.00 C ATOM 1003 SG CYS A 64 2.921 -11.028 4.177 1.00 0.00 S ATOM 0 H CYS A 64 1.343 -8.986 0.431 1.00 0.00 H new ATOM 0 HA CYS A 64 0.735 -8.674 3.069 1.00 0.00 H new ATOM 0 HB2 CYS A 64 0.552 -10.707 3.919 1.00 0.00 H new ATOM 0 HB3 CYS A 64 1.249 -11.482 2.510 1.00 0.00 H new ATOM 1008 N PRO A 65 3.639 -9.427 1.605 1.00 0.00 N ATOM 1009 CA PRO A 65 4.995 -8.988 1.386 1.00 0.00 C ATOM 1010 C PRO A 65 5.061 -7.819 0.422 1.00 0.00 C ATOM 1011 O PRO A 65 5.940 -6.969 0.519 1.00 0.00 O ATOM 1012 CB PRO A 65 5.783 -10.201 0.891 1.00 0.00 C ATOM 1013 CG PRO A 65 4.732 -11.165 0.380 1.00 0.00 C ATOM 1014 CD PRO A 65 3.388 -10.666 0.906 1.00 0.00 C ATOM 0 HA PRO A 65 5.432 -8.613 2.311 1.00 0.00 H new ATOM 0 HB2 PRO A 65 6.482 -9.923 0.102 1.00 0.00 H new ATOM 0 HB3 PRO A 65 6.370 -10.646 1.695 1.00 0.00 H new ATOM 0 HG2 PRO A 65 4.733 -11.198 -0.710 1.00 0.00 H new ATOM 0 HG3 PRO A 65 4.933 -12.178 0.729 1.00 0.00 H new ATOM 0 HD2 PRO A 65 2.687 -10.510 0.086 1.00 0.00 H new ATOM 0 HD3 PRO A 65 2.939 -11.401 1.574 1.00 0.00 H new ATOM 1022 N ALA A 66 4.094 -7.761 -0.486 1.00 0.00 N ATOM 1023 CA ALA A 66 4.022 -6.707 -1.457 1.00 0.00 C ATOM 1024 C ALA A 66 3.477 -5.473 -0.793 1.00 0.00 C ATOM 1025 O ALA A 66 4.041 -4.419 -0.979 1.00 0.00 O ATOM 1026 CB ALA A 66 3.139 -7.150 -2.614 1.00 0.00 C ATOM 0 H ALA A 66 3.344 -8.449 -0.559 1.00 0.00 H new ATOM 0 HA ALA A 66 5.012 -6.480 -1.854 1.00 0.00 H new ATOM 0 HB1 ALA A 66 3.082 -6.352 -3.354 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.563 -8.042 -3.075 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.139 -7.374 -2.243 1.00 0.00 H new ATOM 1032 N ILE A 67 2.431 -5.597 0.024 1.00 0.00 N ATOM 1033 CA ILE A 67 1.821 -4.474 0.713 1.00 0.00 C ATOM 1034 C ILE A 67 2.905 -3.509 1.201 1.00 0.00 C ATOM 1035 O ILE A 67 2.800 -2.300 1.051 1.00 0.00 O ATOM 1036 CB ILE A 67 0.971 -4.986 1.877 1.00 0.00 C ATOM 1037 CG1 ILE A 67 -0.153 -5.912 1.361 1.00 0.00 C ATOM 1038 CG2 ILE A 67 0.436 -3.800 2.693 1.00 0.00 C ATOM 1039 CD1 ILE A 67 -1.533 -5.321 1.576 1.00 0.00 C ATOM 0 H ILE A 67 1.983 -6.491 0.224 1.00 0.00 H new ATOM 0 HA ILE A 67 1.171 -3.932 0.026 1.00 0.00 H new ATOM 0 HB ILE A 67 1.587 -5.588 2.545 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.004 -6.103 0.298 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -0.089 -6.874 1.869 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -0.169 -4.171 3.521 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.272 -3.222 3.085 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -0.176 -3.165 2.053 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.287 -6.010 1.196 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -1.696 -5.155 2.641 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.609 -4.372 1.045 1.00 0.00 H new ATOM 1051 N MET A 68 3.995 -4.054 1.744 1.00 0.00 N ATOM 1052 CA MET A 68 5.125 -3.259 2.161 1.00 0.00 C ATOM 1053 C MET A 68 5.659 -2.388 1.039 1.00 0.00 C ATOM 1054 O MET A 68 5.545 -1.170 1.136 1.00 0.00 O ATOM 1055 CB MET A 68 6.235 -4.174 2.655 1.00 0.00 C ATOM 1056 CG MET A 68 5.769 -5.006 3.842 1.00 0.00 C ATOM 1057 SD MET A 68 6.359 -6.702 3.716 1.00 0.00 S ATOM 1058 CE MET A 68 7.470 -6.756 5.115 1.00 0.00 C ATOM 0 H MET A 68 4.108 -5.055 1.902 1.00 0.00 H new ATOM 0 HA MET A 68 4.785 -2.601 2.961 1.00 0.00 H new ATOM 0 HB2 MET A 68 6.554 -4.833 1.848 1.00 0.00 H new ATOM 0 HB3 MET A 68 7.102 -3.578 2.942 1.00 0.00 H new ATOM 0 HG2 MET A 68 6.132 -4.559 4.768 1.00 0.00 H new ATOM 0 HG3 MET A 68 4.680 -4.999 3.890 1.00 0.00 H new ATOM 0 HE1 MET A 68 7.361 -7.711 5.630 1.00 0.00 H new ATOM 0 HE2 MET A 68 8.497 -6.646 4.768 1.00 0.00 H new ATOM 0 HE3 MET A 68 7.230 -5.944 5.802 1.00 0.00 H new ATOM 1068 N MET A 69 6.141 -3.018 -0.032 1.00 0.00 N ATOM 1069 CA MET A 69 6.631 -2.320 -1.190 1.00 0.00 C ATOM 1070 C MET A 69 5.586 -1.396 -1.785 1.00 0.00 C ATOM 1071 O MET A 69 5.950 -0.406 -2.392 1.00 0.00 O ATOM 1072 CB MET A 69 7.068 -3.334 -2.244 1.00 0.00 C ATOM 1073 CG MET A 69 8.436 -3.913 -1.920 1.00 0.00 C ATOM 1074 SD MET A 69 9.692 -2.608 -1.889 1.00 0.00 S ATOM 1075 CE MET A 69 10.538 -2.983 -3.432 1.00 0.00 C ATOM 0 H MET A 69 6.197 -4.034 -0.108 1.00 0.00 H new ATOM 0 HA MET A 69 7.475 -1.707 -0.875 1.00 0.00 H new ATOM 0 HB2 MET A 69 6.335 -4.139 -2.304 1.00 0.00 H new ATOM 0 HB3 MET A 69 7.096 -2.855 -3.223 1.00 0.00 H new ATOM 0 HG2 MET A 69 8.404 -4.417 -0.954 1.00 0.00 H new ATOM 0 HG3 MET A 69 8.704 -4.665 -2.663 1.00 0.00 H new ATOM 0 HE1 MET A 69 11.425 -2.356 -3.522 1.00 0.00 H new ATOM 0 HE2 MET A 69 10.833 -4.032 -3.440 1.00 0.00 H new ATOM 0 HE3 MET A 69 9.869 -2.788 -4.270 1.00 0.00 H new ATOM 1085 N MET A 70 4.307 -1.679 -1.550 1.00 0.00 N ATOM 1086 CA MET A 70 3.232 -0.882 -2.049 1.00 0.00 C ATOM 1087 C MET A 70 3.358 0.516 -1.484 1.00 0.00 C ATOM 1088 O MET A 70 2.845 1.471 -2.055 1.00 0.00 O ATOM 1089 CB MET A 70 1.904 -1.550 -1.702 1.00 0.00 C ATOM 1090 CG MET A 70 0.933 -0.628 -0.987 1.00 0.00 C ATOM 1091 SD MET A 70 -0.007 -1.450 0.281 1.00 0.00 S ATOM 1092 CE MET A 70 -0.987 -0.100 0.911 1.00 0.00 C ATOM 0 H MET A 70 4.003 -2.482 -0.999 1.00 0.00 H new ATOM 0 HA MET A 70 3.271 -0.800 -3.135 1.00 0.00 H new ATOM 0 HB2 MET A 70 1.439 -1.915 -2.618 1.00 0.00 H new ATOM 0 HB3 MET A 70 2.097 -2.420 -1.074 1.00 0.00 H new ATOM 0 HG2 MET A 70 1.487 0.198 -0.542 1.00 0.00 H new ATOM 0 HG3 MET A 70 0.248 -0.196 -1.716 1.00 0.00 H new ATOM 0 HE1 MET A 70 -2.003 -0.445 1.100 1.00 0.00 H new ATOM 0 HE2 MET A 70 -0.549 0.265 1.840 1.00 0.00 H new ATOM 0 HE3 MET A 70 -1.008 0.707 0.179 1.00 0.00 H new ATOM 1102 N LEU A 71 3.726 0.600 -0.199 1.00 0.00 N ATOM 1103 CA LEU A 71 3.808 1.850 0.510 1.00 0.00 C ATOM 1104 C LEU A 71 5.269 2.260 0.601 1.00 0.00 C ATOM 1105 O LEU A 71 5.679 2.915 1.555 1.00 0.00 O ATOM 1106 CB LEU A 71 3.118 1.749 1.866 1.00 0.00 C ATOM 1107 CG LEU A 71 1.634 1.439 1.817 1.00 0.00 C ATOM 1108 CD1 LEU A 71 1.041 1.461 3.228 1.00 0.00 C ATOM 1109 CD2 LEU A 71 0.872 2.392 0.894 1.00 0.00 C ATOM 0 H LEU A 71 3.973 -0.212 0.367 1.00 0.00 H new ATOM 0 HA LEU A 71 3.276 2.634 -0.028 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.615 0.975 2.451 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.258 2.690 2.398 1.00 0.00 H new ATOM 0 HG LEU A 71 1.524 0.438 1.400 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.025 1.237 3.178 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.541 0.714 3.844 1.00 0.00 H new ATOM 0 HD13 LEU A 71 1.184 2.448 3.667 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.186 2.129 0.893 1.00 0.00 H new ATOM 0 HD22 LEU A 71 0.991 3.416 1.249 1.00 0.00 H new ATOM 0 HD23 LEU A 71 1.267 2.311 -0.119 1.00 0.00 H new ATOM 1121 N ASN A 72 6.062 1.869 -0.394 1.00 0.00 N ATOM 1122 CA ASN A 72 7.462 2.209 -0.470 1.00 0.00 C ATOM 1123 C ASN A 72 7.801 2.782 -1.836 1.00 0.00 C ATOM 1124 O ASN A 72 8.971 2.967 -2.165 1.00 0.00 O ATOM 1125 CB ASN A 72 8.312 0.971 -0.203 1.00 0.00 C ATOM 1126 CG ASN A 72 8.230 0.550 1.239 1.00 0.00 C ATOM 1127 OD1 ASN A 72 8.026 -0.593 1.584 1.00 0.00 O ATOM 1128 ND2 ASN A 72 8.500 1.477 2.136 1.00 0.00 N ATOM 0 H ASN A 72 5.736 1.300 -1.175 1.00 0.00 H new ATOM 0 HA ASN A 72 7.676 2.964 0.286 1.00 0.00 H new ATOM 0 HB2 ASN A 72 7.978 0.154 -0.842 1.00 0.00 H new ATOM 0 HB3 ASN A 72 9.350 1.177 -0.465 1.00 0.00 H new ATOM 0 HD21 ASN A 72 8.538 1.233 3.126 1.00 0.00 H new ATOM 0 HD22 ASN A 72 8.671 2.438 1.840 1.00 0.00 H new ATOM 1135 N GLU A 73 6.776 3.024 -2.640 1.00 0.00 N ATOM 1136 CA GLU A 73 6.943 3.499 -3.985 1.00 0.00 C ATOM 1137 C GLU A 73 7.179 5.002 -3.957 1.00 0.00 C ATOM 1138 O GLU A 73 7.292 5.612 -2.885 1.00 0.00 O ATOM 1139 CB GLU A 73 5.726 3.130 -4.840 1.00 0.00 C ATOM 1140 CG GLU A 73 4.908 2.000 -4.282 1.00 0.00 C ATOM 1141 CD GLU A 73 4.094 1.298 -5.345 1.00 0.00 C ATOM 1142 OE1 GLU A 73 3.865 1.923 -6.397 1.00 0.00 O ATOM 1143 OE2 GLU A 73 3.693 0.150 -5.086 1.00 0.00 O ATOM 0 H GLU A 73 5.803 2.892 -2.365 1.00 0.00 H new ATOM 0 HA GLU A 73 7.810 3.021 -4.441 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.089 4.008 -4.946 1.00 0.00 H new ATOM 0 HB3 GLU A 73 6.066 2.860 -5.840 1.00 0.00 H new ATOM 0 HG2 GLU A 73 5.569 1.280 -3.800 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.240 2.385 -3.512 1.00 0.00 H new ATOM 1150 N PRO A 74 7.234 5.625 -5.150 1.00 0.00 N ATOM 1151 CA PRO A 74 7.403 7.052 -5.292 1.00 0.00 C ATOM 1152 C PRO A 74 6.161 7.835 -4.905 1.00 0.00 C ATOM 1153 O PRO A 74 5.752 8.764 -5.589 1.00 0.00 O ATOM 1154 CB PRO A 74 7.857 7.294 -6.731 1.00 0.00 C ATOM 1155 CG PRO A 74 7.429 6.049 -7.501 1.00 0.00 C ATOM 1156 CD PRO A 74 7.100 5.001 -6.459 1.00 0.00 C ATOM 0 HA PRO A 74 8.156 7.423 -4.597 1.00 0.00 H new ATOM 0 HB2 PRO A 74 7.395 8.191 -7.144 1.00 0.00 H new ATOM 0 HB3 PRO A 74 8.936 7.438 -6.784 1.00 0.00 H new ATOM 0 HG2 PRO A 74 6.563 6.258 -8.130 1.00 0.00 H new ATOM 0 HG3 PRO A 74 8.226 5.706 -8.160 1.00 0.00 H new ATOM 0 HD2 PRO A 74 6.087 4.624 -6.602 1.00 0.00 H new ATOM 0 HD3 PRO A 74 7.773 4.148 -6.548 1.00 0.00 H new ATOM 1164 N MET A 75 5.545 7.460 -3.789 1.00 0.00 N ATOM 1165 CA MET A 75 4.341 8.082 -3.316 1.00 0.00 C ATOM 1166 C MET A 75 3.944 7.530 -1.975 1.00 0.00 C ATOM 1167 O MET A 75 2.772 7.550 -1.667 1.00 0.00 O ATOM 1168 CB MET A 75 3.228 7.867 -4.347 1.00 0.00 C ATOM 1169 CG MET A 75 2.634 9.208 -4.759 1.00 0.00 C ATOM 1170 SD MET A 75 1.817 10.012 -3.354 1.00 0.00 S ATOM 1171 CE MET A 75 0.198 10.302 -4.089 1.00 0.00 C ATOM 0 H MET A 75 5.882 6.706 -3.190 1.00 0.00 H new ATOM 0 HA MET A 75 4.513 9.151 -3.190 1.00 0.00 H new ATOM 0 HB2 MET A 75 3.625 7.352 -5.221 1.00 0.00 H new ATOM 0 HB3 MET A 75 2.450 7.229 -3.927 1.00 0.00 H new ATOM 0 HG2 MET A 75 3.421 9.855 -5.146 1.00 0.00 H new ATOM 0 HG3 MET A 75 1.917 9.060 -5.566 1.00 0.00 H new ATOM 0 HE1 MET A 75 -0.448 10.795 -3.363 1.00 0.00 H new ATOM 0 HE2 MET A 75 0.306 10.937 -4.969 1.00 0.00 H new ATOM 0 HE3 MET A 75 -0.245 9.350 -4.381 1.00 0.00 H new ATOM 1181 N TRP A 76 4.894 7.044 -1.179 1.00 0.00 N ATOM 1182 CA TRP A 76 4.629 6.474 0.119 1.00 0.00 C ATOM 1183 C TRP A 76 5.902 6.464 0.943 1.00 0.00 C ATOM 1184 O TRP A 76 6.701 5.532 0.896 1.00 0.00 O ATOM 1185 CB TRP A 76 4.028 5.083 -0.027 1.00 0.00 C ATOM 1186 CG TRP A 76 2.694 5.015 -0.704 1.00 0.00 C ATOM 1187 CD1 TRP A 76 2.364 4.435 -1.886 1.00 0.00 C ATOM 1188 CD2 TRP A 76 1.475 5.661 -0.272 1.00 0.00 C ATOM 1189 NE1 TRP A 76 1.033 4.645 -2.210 1.00 0.00 N ATOM 1190 CE2 TRP A 76 0.451 5.427 -1.249 1.00 0.00 C ATOM 1191 CE3 TRP A 76 1.166 6.447 0.862 1.00 0.00 C ATOM 1192 CZ2 TRP A 76 -0.841 5.936 -1.102 1.00 0.00 C ATOM 1193 CZ3 TRP A 76 -0.122 6.982 0.977 1.00 0.00 C ATOM 1194 CH2 TRP A 76 -1.105 6.714 0.030 1.00 0.00 C ATOM 0 H TRP A 76 5.882 7.040 -1.432 1.00 0.00 H new ATOM 0 HA TRP A 76 3.897 7.086 0.646 1.00 0.00 H new ATOM 0 HB2 TRP A 76 4.729 4.462 -0.585 1.00 0.00 H new ATOM 0 HB3 TRP A 76 3.933 4.643 0.966 1.00 0.00 H new ATOM 0 HD1 TRP A 76 3.055 3.877 -2.500 1.00 0.00 H new ATOM 0 HE1 TRP A 76 0.561 4.275 -3.035 1.00 0.00 H new ATOM 0 HE3 TRP A 76 1.909 6.631 1.624 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -1.608 5.736 -1.835 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -0.358 7.616 1.819 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -2.097 7.117 0.172 1.00 0.00 H new ATOM 1205 N ILE A 77 6.138 7.556 1.684 1.00 0.00 N ATOM 1206 CA ILE A 77 7.370 7.731 2.435 1.00 0.00 C ATOM 1207 C ILE A 77 6.987 8.191 3.829 1.00 0.00 C ATOM 1208 O ILE A 77 6.553 7.424 4.657 1.00 0.00 O ATOM 1209 CB ILE A 77 8.358 8.685 1.735 1.00 0.00 C ATOM 1210 CG1 ILE A 77 8.943 8.050 0.468 1.00 0.00 C ATOM 1211 CG2 ILE A 77 9.477 9.121 2.696 1.00 0.00 C ATOM 1212 CD1 ILE A 77 7.885 7.918 -0.627 1.00 0.00 C ATOM 0 H ILE A 77 5.481 8.331 1.774 1.00 0.00 H new ATOM 0 HA ILE A 77 7.911 6.787 2.496 1.00 0.00 H new ATOM 0 HB ILE A 77 7.803 9.574 1.436 1.00 0.00 H new ATOM 0 HG12 ILE A 77 9.772 8.657 0.104 1.00 0.00 H new ATOM 0 HG13 ILE A 77 9.348 7.066 0.706 1.00 0.00 H new ATOM 0 HG21 ILE A 77 10.160 9.793 2.177 1.00 0.00 H new ATOM 0 HG22 ILE A 77 9.041 9.636 3.552 1.00 0.00 H new ATOM 0 HG23 ILE A 77 10.024 8.243 3.040 1.00 0.00 H new ATOM 0 HD11 ILE A 77 8.332 7.464 -1.512 1.00 0.00 H new ATOM 0 HD12 ILE A 77 7.069 7.290 -0.270 1.00 0.00 H new ATOM 0 HD13 ILE A 77 7.499 8.905 -0.881 1.00 0.00 H new ATOM 1224 N ARG A 78 7.116 9.471 4.123 1.00 0.00 N ATOM 1225 CA ARG A 78 6.845 10.019 5.425 1.00 0.00 C ATOM 1226 C ARG A 78 5.375 10.045 5.622 1.00 0.00 C ATOM 1227 O ARG A 78 4.912 9.518 6.580 1.00 0.00 O ATOM 1228 CB ARG A 78 7.393 11.433 5.556 1.00 0.00 C ATOM 1229 CG ARG A 78 6.878 12.342 4.429 1.00 0.00 C ATOM 1230 CD ARG A 78 7.812 13.519 4.197 1.00 0.00 C ATOM 1231 NE ARG A 78 7.533 14.591 5.170 1.00 0.00 N ATOM 1232 CZ ARG A 78 6.465 15.372 5.155 1.00 0.00 C ATOM 1233 NH1 ARG A 78 5.553 15.234 4.222 1.00 0.00 N ATOM 1234 NH2 ARG A 78 6.312 16.297 6.068 1.00 0.00 N ATOM 0 H ARG A 78 7.419 10.169 3.443 1.00 0.00 H new ATOM 0 HA ARG A 78 7.331 9.398 6.178 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.104 11.849 6.521 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.482 11.406 5.534 1.00 0.00 H new ATOM 0 HG2 ARG A 78 6.781 11.765 3.509 1.00 0.00 H new ATOM 0 HG3 ARG A 78 5.883 12.709 4.681 1.00 0.00 H new ATOM 0 HD2 ARG A 78 8.848 13.194 4.290 1.00 0.00 H new ATOM 0 HD3 ARG A 78 7.687 13.897 3.182 1.00 0.00 H new ATOM 0 HE ARG A 78 8.216 14.742 5.912 1.00 0.00 H new ATOM 0 HH11 ARG A 78 5.664 14.521 3.501 1.00 0.00 H new ATOM 0 HH12 ARG A 78 4.732 15.840 4.217 1.00 0.00 H new ATOM 0 HH21 ARG A 78 7.017 16.418 6.795 1.00 0.00 H new ATOM 0 HH22 ARG A 78 5.487 16.897 6.053 1.00 0.00 H new ATOM 1248 N MET A 79 4.622 10.622 4.704 1.00 0.00 N ATOM 1249 CA MET A 79 3.181 10.738 4.755 1.00 0.00 C ATOM 1250 C MET A 79 2.552 9.395 5.076 1.00 0.00 C ATOM 1251 O MET A 79 1.575 9.343 5.824 1.00 0.00 O ATOM 1252 CB MET A 79 2.641 11.208 3.402 1.00 0.00 C ATOM 1253 CG MET A 79 3.633 10.933 2.264 1.00 0.00 C ATOM 1254 SD MET A 79 2.807 10.705 0.697 1.00 0.00 S ATOM 1255 CE MET A 79 2.136 9.083 1.001 1.00 0.00 C ATOM 0 H MET A 79 5.020 11.042 3.864 1.00 0.00 H new ATOM 0 HA MET A 79 2.930 11.460 5.532 1.00 0.00 H new ATOM 0 HB2 MET A 79 1.698 10.703 3.192 1.00 0.00 H new ATOM 0 HB3 MET A 79 2.427 12.276 3.447 1.00 0.00 H new ATOM 0 HG2 MET A 79 4.335 11.763 2.186 1.00 0.00 H new ATOM 0 HG3 MET A 79 4.217 10.043 2.499 1.00 0.00 H new ATOM 0 HE1 MET A 79 1.744 8.671 0.071 1.00 0.00 H new ATOM 0 HE2 MET A 79 2.920 8.431 1.385 1.00 0.00 H new ATOM 0 HE3 MET A 79 1.332 9.153 1.734 1.00 0.00 H new ATOM 1265 N ARG A 80 3.146 8.313 4.532 1.00 0.00 N ATOM 1266 CA ARG A 80 2.712 6.980 4.807 1.00 0.00 C ATOM 1267 C ARG A 80 2.552 6.820 6.275 1.00 0.00 C ATOM 1268 O ARG A 80 1.745 6.001 6.595 1.00 0.00 O ATOM 1269 CB ARG A 80 3.660 5.932 4.260 1.00 0.00 C ATOM 1270 CG ARG A 80 3.370 4.540 4.834 1.00 0.00 C ATOM 1271 CD ARG A 80 4.367 3.510 4.335 1.00 0.00 C ATOM 1272 NE ARG A 80 5.540 3.421 5.213 1.00 0.00 N ATOM 1273 CZ ARG A 80 6.656 4.096 5.060 1.00 0.00 C ATOM 1274 NH1 ARG A 80 6.813 4.882 4.035 1.00 0.00 N ATOM 1275 NH2 ARG A 80 7.642 3.958 5.909 1.00 0.00 N ATOM 0 H ARG A 80 3.939 8.368 3.892 1.00 0.00 H new ATOM 0 HA ARG A 80 1.758 6.825 4.302 1.00 0.00 H new ATOM 0 HB2 ARG A 80 3.578 5.901 3.174 1.00 0.00 H new ATOM 0 HB3 ARG A 80 4.687 6.214 4.494 1.00 0.00 H new ATOM 0 HG2 ARG A 80 3.403 4.581 5.923 1.00 0.00 H new ATOM 0 HG3 ARG A 80 2.361 4.235 4.557 1.00 0.00 H new ATOM 0 HD2 ARG A 80 3.883 2.535 4.274 1.00 0.00 H new ATOM 0 HD3 ARG A 80 4.686 3.771 3.326 1.00 0.00 H new ATOM 0 HE ARG A 80 5.484 2.783 6.007 1.00 0.00 H new ATOM 0 HH11 ARG A 80 6.067 4.976 3.346 1.00 0.00 H new ATOM 0 HH12 ARG A 80 7.682 5.404 3.921 1.00 0.00 H new ATOM 0 HH21 ARG A 80 7.549 3.321 6.700 1.00 0.00 H new ATOM 0 HH22 ARG A 80 8.504 4.488 5.780 1.00 0.00 H new ATOM 1289 N ASP A 81 3.252 7.493 7.141 1.00 0.00 N ATOM 1290 CA ASP A 81 3.165 7.430 8.573 1.00 0.00 C ATOM 1291 C ASP A 81 1.784 6.983 9.034 1.00 0.00 C ATOM 1292 O ASP A 81 1.617 5.877 9.535 1.00 0.00 O ATOM 1293 CB ASP A 81 3.403 8.802 9.200 1.00 0.00 C ATOM 1294 CG ASP A 81 4.403 8.809 10.343 1.00 0.00 C ATOM 1295 OD1 ASP A 81 4.558 7.744 10.982 1.00 0.00 O ATOM 1296 OD2 ASP A 81 5.043 9.870 10.523 1.00 0.00 O ATOM 0 H ASP A 81 3.962 8.159 6.837 1.00 0.00 H new ATOM 0 HA ASP A 81 3.926 6.715 8.886 1.00 0.00 H new ATOM 0 HB2 ASP A 81 3.751 9.486 8.426 1.00 0.00 H new ATOM 0 HB3 ASP A 81 2.452 9.191 9.564 1.00 0.00 H new ATOM 1301 N GLN A 82 0.750 7.754 8.667 1.00 0.00 N ATOM 1302 CA GLN A 82 -0.602 7.433 9.015 1.00 0.00 C ATOM 1303 C GLN A 82 -1.050 6.212 8.293 1.00 0.00 C ATOM 1304 O GLN A 82 -1.154 5.176 8.936 1.00 0.00 O ATOM 1305 CB GLN A 82 -1.533 8.583 8.720 1.00 0.00 C ATOM 1306 CG GLN A 82 -1.695 9.483 9.946 1.00 0.00 C ATOM 1307 CD GLN A 82 -0.542 10.457 10.095 1.00 0.00 C ATOM 1308 OE1 GLN A 82 0.563 10.099 10.409 1.00 0.00 O ATOM 1309 NE2 GLN A 82 -0.801 11.726 9.862 1.00 0.00 N ATOM 0 H GLN A 82 0.849 8.611 8.122 1.00 0.00 H new ATOM 0 HA GLN A 82 -0.632 7.241 10.088 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -1.144 9.166 7.885 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -2.506 8.199 8.415 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -2.630 10.038 9.867 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -1.766 8.866 10.842 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -1.743 12.014 9.597 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -0.060 12.422 9.947 1.00 0.00 H new ATOM 1318 N VAL A 83 -1.376 6.353 6.998 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 -1.088 3.964 6.557 1.00 0.00 C ATOM 1321 O VAL A 83 -1.692 2.924 6.532 1.00 0.00 O ATOM 1322 CB VAL A 83 -1.438 5.573 4.649 1.00 0.00 C ATOM 1323 CG1 VAL A 83 -0.586 6.824 4.511 1.00 0.00 C ATOM 1324 CG2 VAL A 83 -0.760 4.394 3.952 1.00 0.00 C ATOM 0 H VAL A 83 -1.378 7.259 6.530 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.839 5.134 6.193 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.393 5.757 4.157 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.382 7.011 3.457 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.119 7.676 4.934 1.00 0.00 H new ATOM 0 HG13 VAL A 83 0.355 6.684 5.044 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.550 4.656 2.915 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.173 4.157 4.463 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.419 3.527 3.980 1.00 0.00 H new ATOM 1334 N MET A 84 0.173 3.982 6.938 1.00 0.00 N ATOM 1335 CA MET A 84 0.923 2.921 7.504 1.00 0.00 C ATOM 1336 C MET A 84 0.062 2.123 8.432 1.00 0.00 C ATOM 1337 O MET A 84 -0.392 1.069 8.025 1.00 0.00 O ATOM 1338 CB MET A 84 2.141 3.407 8.261 1.00 0.00 C ATOM 1339 CG MET A 84 3.334 2.526 8.006 1.00 0.00 C ATOM 1340 SD MET A 84 4.407 2.428 9.445 1.00 0.00 S ATOM 1341 CE MET A 84 4.889 4.182 9.544 1.00 0.00 C ATOM 0 H MET A 84 0.735 4.828 6.843 1.00 0.00 H new ATOM 0 HA MET A 84 1.268 2.304 6.675 1.00 0.00 H new ATOM 0 HB2 MET A 84 2.372 4.430 7.963 1.00 0.00 H new ATOM 0 HB3 MET A 84 1.923 3.427 9.329 1.00 0.00 H new ATOM 0 HG2 MET A 84 2.996 1.526 7.735 1.00 0.00 H new ATOM 0 HG3 MET A 84 3.898 2.913 7.157 1.00 0.00 H new ATOM 0 HE1 MET A 84 5.850 4.267 10.051 1.00 0.00 H new ATOM 0 HE2 MET A 84 4.972 4.594 8.538 1.00 0.00 H new ATOM 0 HE3 MET A 84 4.134 4.736 10.102 1.00 0.00 H new ATOM 1351 N SER A 85 -0.237 2.599 9.633 1.00 0.00 N ATOM 1352 CA SER A 85 -1.060 1.916 10.597 1.00 0.00 C ATOM 1353 C SER A 85 -2.503 1.851 10.115 1.00 0.00 C ATOM 1354 O SER A 85 -3.415 2.034 10.891 1.00 0.00 O ATOM 1355 CB SER A 85 -0.980 2.603 11.959 1.00 0.00 C ATOM 1356 OG SER A 85 -1.429 1.721 12.974 1.00 0.00 O ATOM 0 H SER A 85 0.102 3.502 9.965 1.00 0.00 H new ATOM 0 HA SER A 85 -0.686 0.898 10.706 1.00 0.00 H new ATOM 0 HB2 SER A 85 0.046 2.910 12.161 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.589 3.507 11.956 1.00 0.00 H new ATOM 0 HG SER A 85 -2.335 1.413 12.762 1.00 0.00 H new ATOM 1362 N MET A 86 -2.735 1.531 8.849 1.00 0.00 N ATOM 1363 CA MET A 86 -4.005 1.427 8.237 1.00 0.00 C ATOM 1364 C MET A 86 -3.973 0.553 7.009 1.00 0.00 C ATOM 1365 O MET A 86 -4.848 -0.271 6.828 1.00 0.00 O ATOM 1366 CB MET A 86 -4.465 2.809 7.837 1.00 0.00 C ATOM 1367 CG MET A 86 -5.127 3.555 8.977 1.00 0.00 C ATOM 1368 SD MET A 86 -6.554 2.612 9.571 1.00 0.00 S ATOM 1369 CE MET A 86 -6.884 3.511 11.090 1.00 0.00 C ATOM 0 H MET A 86 -1.975 1.328 8.200 1.00 0.00 H new ATOM 0 HA MET A 86 -4.688 0.973 8.955 1.00 0.00 H new ATOM 0 HB2 MET A 86 -3.610 3.383 7.480 1.00 0.00 H new ATOM 0 HB3 MET A 86 -5.165 2.728 7.005 1.00 0.00 H new ATOM 0 HG2 MET A 86 -4.415 3.706 9.788 1.00 0.00 H new ATOM 0 HG3 MET A 86 -5.444 4.543 8.643 1.00 0.00 H new ATOM 0 HE1 MET A 86 -7.741 3.067 11.597 1.00 0.00 H new ATOM 0 HE2 MET A 86 -6.011 3.460 11.740 1.00 0.00 H new ATOM 0 HE3 MET A 86 -7.101 4.553 10.856 1.00 0.00 H new ATOM 1379 N ALA A 87 -2.920 0.622 6.203 1.00 0.00 N ATOM 1380 CA ALA A 87 -2.763 -0.184 5.024 1.00 0.00 C ATOM 1381 C ALA A 87 -2.428 -1.584 5.453 1.00 0.00 C ATOM 1382 O ALA A 87 -2.271 -2.445 4.622 1.00 0.00 O ATOM 1383 CB ALA A 87 -1.679 0.413 4.155 1.00 0.00 C ATOM 0 H ALA A 87 -2.140 1.259 6.365 1.00 0.00 H new ATOM 0 HA ALA A 87 -3.681 -0.210 4.437 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -1.555 -0.195 3.259 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -1.958 1.427 3.870 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -0.741 0.437 4.709 1.00 0.00 H new ATOM 1389 N HIS A 88 -2.226 -1.837 6.739 1.00 0.00 N ATOM 1390 CA HIS A 88 -1.935 -3.148 7.258 1.00 0.00 C ATOM 1391 C HIS A 88 -3.208 -3.759 7.786 1.00 0.00 C ATOM 1392 O HIS A 88 -3.241 -4.938 8.017 1.00 0.00 O ATOM 1393 CB HIS A 88 -0.843 -3.050 8.318 1.00 0.00 C ATOM 1394 CG HIS A 88 0.163 -1.954 8.107 1.00 0.00 C ATOM 1395 ND1 HIS A 88 0.641 -1.457 6.923 1.00 0.00 N flip ATOM 1396 CD2 HIS A 88 0.772 -1.265 9.136 1.00 0.00 C flip ATOM 1397 CE1 HIS A 88 1.539 -0.465 7.250 1.00 0.00 C flip ATOM 1398 NE2 HIS A 88 1.642 -0.404 8.599 1.00 0.00 N flip ATOM 0 H HIS A 88 -2.263 -1.115 7.458 1.00 0.00 H new ATOM 0 HA HIS A 88 -1.556 -3.801 6.472 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -1.315 -2.905 9.290 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -0.314 -4.002 8.360 1.00 0.00 H new ATOM 0 HD1 HIS A 88 0.383 -1.762 5.984 1.00 0.00 H new ATOM 0 HD2 HIS A 88 0.579 -1.398 10.190 1.00 0.00 H new ATOM 0 HE1 HIS A 88 2.072 0.160 6.548 1.00 0.00 H new ATOM 1407 N ASN A 89 -4.249 -2.968 7.978 1.00 0.00 N ATOM 1408 CA ASN A 89 -5.522 -3.424 8.489 1.00 0.00 C ATOM 1409 C ASN A 89 -6.565 -3.295 7.401 1.00 0.00 C ATOM 1410 O ASN A 89 -7.587 -3.937 7.458 1.00 0.00 O ATOM 1411 CB ASN A 89 -5.967 -2.585 9.687 1.00 0.00 C ATOM 1412 CG ASN A 89 -4.956 -2.614 10.813 1.00 0.00 C ATOM 1413 OD1 ASN A 89 -3.741 -2.174 10.509 1.00 0.00 O flip ATOM 1414 ND2 ASN A 89 -5.223 -3.026 11.923 1.00 0.00 N flip ATOM 0 H ASN A 89 -4.228 -1.968 7.777 1.00 0.00 H new ATOM 0 HA ASN A 89 -5.413 -4.461 8.805 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -6.124 -1.554 9.368 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -6.925 -2.955 10.052 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -6.165 -3.359 12.131 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -4.506 -3.040 12.648 1.00 0.00 H new ATOM 1421 N LEU A 90 -6.302 -2.466 6.399 1.00 0.00 N ATOM 1422 CA LEU A 90 -7.168 -2.273 5.268 1.00 0.00 C ATOM 1423 C LEU A 90 -7.229 -3.554 4.444 1.00 0.00 C ATOM 1424 O LEU A 90 -8.308 -4.039 4.137 1.00 0.00 O ATOM 1425 CB LEU A 90 -6.707 -1.060 4.440 1.00 0.00 C ATOM 1426 CG LEU A 90 -7.330 0.264 4.888 1.00 0.00 C ATOM 1427 CD1 LEU A 90 -6.670 1.414 4.141 1.00 0.00 C ATOM 1428 CD2 LEU A 90 -8.840 0.270 4.661 1.00 0.00 C ATOM 0 H LEU A 90 -5.455 -1.899 6.360 1.00 0.00 H new ATOM 0 HA LEU A 90 -8.179 -2.054 5.610 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -5.622 -0.980 4.502 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -6.954 -1.231 3.392 1.00 0.00 H new ATOM 0 HG LEU A 90 -7.160 0.385 5.958 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.114 2.357 4.460 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -5.602 1.424 4.358 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -6.821 1.286 3.069 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -9.253 1.224 4.989 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -9.049 0.129 3.601 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -9.297 -0.539 5.231 1.00 0.00 H new ATOM 1440 N PRO A 91 -6.057 -4.104 4.078 1.00 0.00 N ATOM 1441 CA PRO A 91 -5.966 -5.329 3.325 1.00 0.00 C ATOM 1442 C PRO A 91 -6.289 -6.534 4.173 1.00 0.00 C ATOM 1443 O PRO A 91 -6.924 -7.471 3.708 1.00 0.00 O ATOM 1444 CB PRO A 91 -4.561 -5.386 2.740 1.00 0.00 C ATOM 1445 CG PRO A 91 -3.763 -4.439 3.599 1.00 0.00 C ATOM 1446 CD PRO A 91 -4.742 -3.609 4.391 1.00 0.00 C ATOM 0 HA PRO A 91 -6.704 -5.345 2.523 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -4.155 -6.397 2.778 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -4.552 -5.078 1.694 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -3.102 -4.992 4.266 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -3.132 -3.801 2.981 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -4.542 -3.691 5.459 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -4.654 -2.554 4.130 1.00 0.00 H new ATOM 1454 N ILE A 92 -5.838 -6.522 5.417 1.00 0.00 N ATOM 1455 CA ILE A 92 -6.099 -7.608 6.335 1.00 0.00 C ATOM 1456 C ILE A 92 -7.594 -7.784 6.524 1.00 0.00 C ATOM 1457 O ILE A 92 -8.074 -8.908 6.472 1.00 0.00 O ATOM 1458 CB ILE A 92 -5.387 -7.337 7.661 1.00 0.00 C ATOM 1459 CG1 ILE A 92 -3.930 -7.798 7.592 1.00 0.00 C ATOM 1460 CG2 ILE A 92 -6.136 -7.991 8.827 1.00 0.00 C ATOM 1461 CD1 ILE A 92 -3.410 -8.316 8.922 1.00 0.00 C ATOM 0 H ILE A 92 -5.284 -5.762 5.813 1.00 0.00 H new ATOM 0 HA ILE A 92 -5.710 -8.540 5.926 1.00 0.00 H new ATOM 0 HB ILE A 92 -5.385 -6.262 7.841 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -3.838 -8.583 6.841 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.306 -6.967 7.263 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -5.610 -7.784 9.759 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -7.147 -7.586 8.883 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -6.185 -9.068 8.669 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -2.372 -8.628 8.810 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -3.473 -7.526 9.670 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -4.012 -9.167 9.242 1.00 0.00 H new ATOM 1473 N GLU A 93 -8.312 -6.681 6.713 1.00 0.00 N ATOM 1474 CA GLU A 93 -9.754 -6.724 6.879 1.00 0.00 C ATOM 1475 C GLU A 93 -10.423 -7.317 5.642 1.00 0.00 C ATOM 1476 O GLU A 93 -11.575 -7.734 5.687 1.00 0.00 O ATOM 1477 CB GLU A 93 -10.309 -5.321 7.145 1.00 0.00 C ATOM 1478 CG GLU A 93 -10.413 -5.055 8.652 1.00 0.00 C ATOM 1479 CD GLU A 93 -11.860 -4.760 9.054 1.00 0.00 C ATOM 1480 OE1 GLU A 93 -12.383 -3.720 8.586 1.00 0.00 O ATOM 1481 OE2 GLU A 93 -12.416 -5.570 9.831 1.00 0.00 O ATOM 0 H GLU A 93 -7.912 -5.743 6.755 1.00 0.00 H new ATOM 0 HA GLU A 93 -9.974 -7.360 7.737 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -9.662 -4.575 6.683 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -11.292 -5.220 6.684 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -10.047 -5.920 9.205 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -9.777 -4.212 8.922 1.00 0.00 H new ATOM 1488 N CYS A 94 -9.690 -7.360 4.523 1.00 0.00 N ATOM 1489 CA CYS A 94 -10.160 -7.969 3.313 1.00 0.00 C ATOM 1490 C CYS A 94 -9.677 -9.399 3.213 1.00 0.00 C ATOM 1491 O CYS A 94 -10.195 -10.119 2.370 1.00 0.00 O ATOM 1492 CB CYS A 94 -9.715 -7.146 2.108 1.00 0.00 C ATOM 1493 SG CYS A 94 -10.890 -5.853 1.629 1.00 0.00 S ATOM 0 H CYS A 94 -8.752 -6.966 4.450 1.00 0.00 H new ATOM 0 HA CYS A 94 -11.250 -7.991 3.327 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -8.753 -6.685 2.331 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -9.560 -7.814 1.261 1.00 0.00 H new ATOM 1498 N ASN A 95 -8.690 -9.787 4.029 1.00 0.00 N ATOM 1499 CA ASN A 95 -8.118 -11.110 4.073 1.00 0.00 C ATOM 1500 C ASN A 95 -6.987 -11.170 3.043 1.00 0.00 C ATOM 1501 O ASN A 95 -6.642 -12.210 2.501 1.00 0.00 O ATOM 1502 CB ASN A 95 -9.180 -12.164 3.770 1.00 0.00 C ATOM 1503 CG ASN A 95 -8.863 -13.479 4.410 1.00 0.00 C ATOM 1504 OD1 ASN A 95 -9.628 -14.021 5.168 1.00 0.00 O ATOM 1505 ND2 ASN A 95 -7.696 -13.999 4.124 1.00 0.00 N ATOM 0 H ASN A 95 -8.260 -9.150 4.700 1.00 0.00 H new ATOM 0 HA ASN A 95 -7.727 -11.318 5.069 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -10.150 -11.813 4.123 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -9.262 -12.296 2.691 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -7.415 -14.884 4.546 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -7.068 -13.519 3.479 1.00 0.00 H new ATOM 1512 N LEU A 96 -6.428 -10.032 2.668 1.00 0.00 N ATOM 1513 CA LEU A 96 -5.381 -9.981 1.685 1.00 0.00 C ATOM 1514 C LEU A 96 -4.084 -10.398 2.341 1.00 0.00 C ATOM 1515 O LEU A 96 -3.478 -11.364 1.925 1.00 0.00 O ATOM 1516 CB LEU A 96 -5.318 -8.594 1.054 1.00 0.00 C ATOM 1517 CG LEU A 96 -6.666 -8.033 0.578 1.00 0.00 C ATOM 1518 CD1 LEU A 96 -6.508 -6.612 0.090 1.00 0.00 C ATOM 1519 CD2 LEU A 96 -7.312 -8.926 -0.469 1.00 0.00 C ATOM 0 H LEU A 96 -6.694 -9.121 3.042 1.00 0.00 H new ATOM 0 HA LEU A 96 -5.579 -10.675 0.868 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -4.889 -7.901 1.778 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.636 -8.629 0.204 1.00 0.00 H new ATOM 0 HG LEU A 96 -7.344 -8.018 1.431 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -7.474 -6.232 -0.243 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -6.133 -5.988 0.901 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -5.803 -6.589 -0.741 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -8.263 -8.494 -0.779 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -6.653 -9.010 -1.333 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -7.484 -9.916 -0.047 1.00 0.00 H new ATOM 1531 N MET A 97 -3.714 -9.716 3.424 1.00 0.00 N ATOM 1532 CA MET A 97 -2.506 -10.005 4.156 1.00 0.00 C ATOM 1533 C MET A 97 -2.779 -10.324 5.597 1.00 0.00 C ATOM 1534 O MET A 97 -1.889 -10.094 6.418 1.00 0.00 O ATOM 1535 CB MET A 97 -1.549 -8.829 4.028 1.00 0.00 C ATOM 1536 CG MET A 97 -2.102 -7.592 4.717 1.00 0.00 C ATOM 1537 SD MET A 97 -1.001 -7.044 6.051 1.00 0.00 S ATOM 1538 CE MET A 97 0.130 -6.054 5.101 1.00 0.00 C ATOM 0 H MET A 97 -4.256 -8.944 3.812 1.00 0.00 H new ATOM 0 HA MET A 97 -2.049 -10.896 3.725 1.00 0.00 H new ATOM 0 HB2 MET A 97 -0.586 -9.092 4.465 1.00 0.00 H new ATOM 0 HB3 MET A 97 -1.373 -8.613 2.974 1.00 0.00 H new ATOM 0 HG2 MET A 97 -2.224 -6.790 3.989 1.00 0.00 H new ATOM 0 HG3 MET A 97 -3.091 -7.808 5.122 1.00 0.00 H new ATOM 0 HE1 MET A 97 1.143 -6.199 5.476 1.00 0.00 H new ATOM 0 HE2 MET A 97 0.084 -6.353 4.054 1.00 0.00 H new ATOM 0 HE3 MET A 97 -0.143 -5.003 5.190 1.00 0.00 H new ATOM 1548 N SER A 98 -4.015 -10.752 5.897 1.00 0.00 N ATOM 1549 CA SER A 98 -4.438 -11.061 7.249 1.00 0.00 C ATOM 1550 C SER A 98 -3.287 -11.617 8.083 1.00 0.00 C ATOM 1551 O SER A 98 -2.714 -10.988 8.958 1.00 0.00 O ATOM 1552 CB SER A 98 -5.600 -12.054 7.258 1.00 0.00 C ATOM 1553 OG SER A 98 -5.305 -13.205 6.480 1.00 0.00 O ATOM 0 H SER A 98 -4.744 -10.890 5.197 1.00 0.00 H new ATOM 0 HA SER A 98 -4.772 -10.124 7.694 1.00 0.00 H new ATOM 0 HB2 SER A 98 -5.817 -12.352 8.284 1.00 0.00 H new ATOM 0 HB3 SER A 98 -6.496 -11.571 6.870 1.00 0.00 H new ATOM 0 HG SER A 98 -6.066 -13.822 6.507 1.00 0.00 H new ATOM 1559 N GLN A 99 -2.875 -12.835 7.783 1.00 0.00 N ATOM 1560 CA GLN A 99 -1.716 -13.442 8.391 1.00 0.00 C ATOM 1561 C GLN A 99 -1.178 -14.589 7.534 1.00 0.00 C ATOM 1562 O GLN A 99 -1.078 -15.724 7.993 1.00 0.00 O ATOM 1563 CB GLN A 99 -2.135 -13.911 9.779 1.00 0.00 C ATOM 1564 CG GLN A 99 -0.965 -13.768 10.751 1.00 0.00 C ATOM 1565 CD GLN A 99 -1.141 -14.676 11.959 1.00 0.00 C ATOM 1566 OE1 GLN A 99 -2.227 -14.872 12.484 1.00 0.00 O ATOM 1567 NE2 GLN A 99 -0.034 -15.229 12.425 1.00 0.00 N ATOM 0 H GLN A 99 -3.344 -13.433 7.103 1.00 0.00 H new ATOM 0 HA GLN A 99 -0.899 -12.725 8.471 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -2.984 -13.325 10.130 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -2.460 -14.950 9.738 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -0.033 -14.013 10.241 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -0.886 -12.732 11.080 1.00 0.00 H new ATOM 0 HE21 GLN A 99 0.859 -15.048 11.966 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -0.073 -15.837 13.243 1.00 0.00 H new ATOM 1576 N PRO A 100 -0.875 -14.286 6.260 1.00 0.00 N ATOM 1577 CA PRO A 100 -0.345 -15.270 5.343 1.00 0.00 C ATOM 1578 C PRO A 100 1.097 -15.618 5.659 1.00 0.00 C ATOM 1579 O PRO A 100 1.427 -16.766 5.967 1.00 0.00 O ATOM 1580 CB PRO A 100 -0.526 -14.691 3.938 1.00 0.00 C ATOM 1581 CG PRO A 100 -0.713 -13.196 4.144 1.00 0.00 C ATOM 1582 CD PRO A 100 -0.965 -12.982 5.627 1.00 0.00 C ATOM 0 HA PRO A 100 -0.877 -16.217 5.429 1.00 0.00 H new ATOM 0 HB2 PRO A 100 0.343 -14.897 3.312 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -1.390 -15.131 3.439 1.00 0.00 H new ATOM 0 HG2 PRO A 100 0.172 -12.648 3.820 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -1.551 -12.827 3.553 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -0.231 -12.296 6.049 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -1.947 -12.539 5.792 1.00 0.00 H new ATOM 1590 N CYS A 101 1.968 -14.619 5.539 1.00 0.00 N ATOM 1591 CA CYS A 101 3.365 -14.792 5.831 1.00 0.00 C ATOM 1592 C CYS A 101 3.545 -14.914 7.341 1.00 0.00 C ATOM 1593 O CYS A 101 2.581 -14.944 8.109 1.00 0.00 O ATOM 1594 CB CYS A 101 4.186 -13.641 5.243 1.00 0.00 C ATOM 1595 SG CYS A 101 3.522 -12.931 3.704 1.00 0.00 S ATOM 0 H CYS A 101 1.715 -13.678 5.238 1.00 0.00 H new ATOM 0 HA CYS A 101 3.732 -15.707 5.366 1.00 0.00 H new ATOM 0 HB2 CYS A 101 4.260 -12.849 5.989 1.00 0.00 H new ATOM 0 HB3 CYS A 101 5.199 -13.996 5.054 1.00 0.00 H new ATOM 1600 N GLN A 102 4.801 -14.947 7.773 1.00 0.00 N ATOM 1601 CA GLN A 102 5.123 -15.037 9.183 1.00 0.00 C ATOM 1602 C GLN A 102 6.061 -13.909 9.591 1.00 0.00 C ATOM 1603 O GLN A 102 6.401 -13.041 8.775 1.00 0.00 O ATOM 1604 CB GLN A 102 5.737 -16.402 9.495 1.00 0.00 C ATOM 1605 CG GLN A 102 4.754 -17.532 9.174 1.00 0.00 C ATOM 1606 CD GLN A 102 4.309 -18.279 10.421 1.00 0.00 C ATOM 1607 OE1 GLN A 102 4.448 -17.841 11.551 1.00 0.00 O ATOM 1608 NE2 GLN A 102 3.762 -19.460 10.208 1.00 0.00 N ATOM 0 H GLN A 102 5.614 -14.912 7.158 1.00 0.00 H new ATOM 0 HA GLN A 102 4.205 -14.933 9.761 1.00 0.00 H new ATOM 0 HB2 GLN A 102 6.651 -16.535 8.916 1.00 0.00 H new ATOM 0 HB3 GLN A 102 6.017 -16.447 10.547 1.00 0.00 H new ATOM 0 HG2 GLN A 102 3.881 -17.119 8.669 1.00 0.00 H new ATOM 0 HG3 GLN A 102 5.221 -18.232 8.481 1.00 0.00 H new ATOM 0 HE21 GLN A 102 3.655 -19.808 9.255 1.00 0.00 H new ATOM 0 HE22 GLN A 102 3.446 -20.025 10.996 1.00 0.00 H new ATOM 1617 N MET A 103 6.461 -13.921 10.864 1.00 0.00 N ATOM 1618 CA MET A 103 7.376 -12.931 11.406 1.00 0.00 C ATOM 1619 C MET A 103 8.408 -13.567 12.359 1.00 0.00 C ATOM 1620 O MET A 103 9.606 -13.535 12.001 1.00 0.00 O ATOM 1621 CB MET A 103 6.545 -11.866 12.127 1.00 0.00 C ATOM 1622 CG MET A 103 7.076 -10.470 11.825 1.00 0.00 C ATOM 1623 SD MET A 103 7.271 -9.516 13.351 1.00 0.00 S ATOM 1624 CE MET A 103 6.114 -8.180 13.019 1.00 0.00 C ATOM 1625 OXT MET A 103 7.972 -14.066 13.417 1.00 0.00 O ATOM 0 H MET A 103 6.157 -14.619 11.543 1.00 0.00 H new ATOM 0 HA MET A 103 7.946 -12.479 10.594 1.00 0.00 H new ATOM 0 HB2 MET A 103 5.503 -11.939 11.816 1.00 0.00 H new ATOM 0 HB3 MET A 103 6.570 -12.045 13.202 1.00 0.00 H new ATOM 0 HG2 MET A 103 8.034 -10.543 11.311 1.00 0.00 H new ATOM 0 HG3 MET A 103 6.392 -9.953 11.152 1.00 0.00 H new ATOM 0 HE1 MET A 103 6.104 -7.489 13.862 1.00 0.00 H new ATOM 0 HE2 MET A 103 6.421 -7.648 12.118 1.00 0.00 H new ATOM 0 HE3 MET A 103 5.115 -8.591 12.875 1.00 0.00 H new TER 1635 MET A 103