USER MOD reduce.3.24.130724 H: found=0, std=0, add=996, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 985 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 55 MET CE :methyl -154:sc= -7.2! (180deg=-5.69!) USER MOD Set 1.2: A 111 HIS : no HE2:sc= -3.67! C(o=-10!,f=-20!) USER MOD Set 1.3: A 122 TYR OH : rot 180:sc= 0.913 USER MOD Set 2.1: A 89 MET CE :methyl -136:sc= -0.0382 (180deg=0) USER MOD Set 2.2: A 90 HIS : no HD1:sc= -0.0793 X(o=-0.12,f=-0.39) USER MOD Set 3.1: A 10 TYR OH : rot -14:sc= 1.28 USER MOD Set 3.2: A 84 MET CE :methyl 173:sc= -0.037 (180deg=-0.163) USER MOD Set 3.3: A 121 HIS :FLIP no HD1:sc= 0.526 F(o=-2.7,f=1.8) USER MOD Set 4.1: A 53 CYS SG : rot 180:sc= 0 USER MOD Set 4.2: A 56 ASN : amide:sc= -0.22 X(o=-0.22,f=-0.039) USER MOD Set 5.1: A 26 CYS SG : rot -58:sc= -5.26 USER MOD Set 5.2: A 57 CYS SG : rot -34:sc= 1.21 USER MOD Set 6.1: A 23 HIS : no HE2:sc= -19.3! C(o=-20!,f=-26!) USER MOD Set 6.2: A 54 TYR OH : rot 180:sc= -0.535 USER MOD Single : A 1 ASP N :NH3+ -101:sc= 0.0403 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 81:sc= 0.374 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 82:sc= -0.288 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= -0.0237! USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 HIS : no HD1:sc= -1.51! C(o=-1.5!,f=-9.4!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 HIS : no HE2:sc= 0 X(o=0,f=-0.086) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -3.21! C(o=-3.2!,f=-3.3!) USER MOD Single : A 72 HIS : no HD1:sc= -0.146 X(o=-0.15,f=-0.23) USER MOD Single : A 75 LYS NZ :NH3+ -149:sc= -0.281 (180deg=-1.5!) USER MOD Single : A 79 SER OG : rot -31:sc= 0.429 USER MOD Single : A 82 ASN : amide:sc= -0.324! C(o=-0.32!,f=-13!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 HIS : no HD1:sc= -7.57! C(o=-7.6!,f=-9.2!) USER MOD Single : A 91 MET CE :methyl 172:sc= -1.13 (180deg=-1.31) USER MOD Single : A 93 LYS NZ :NH3+ 173:sc= -0.973 (180deg=-1.51!) USER MOD Single : A 95 CYS SG : rot 176:sc= -4.77! USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 ASN :FLIP amide:sc=-0.00859 F(o=-1.5!,f=-0.0086) USER MOD Single : A 104 CYS SG : rot 180:sc= -0.429 USER MOD Single : A 106 LYS NZ :NH3+ -152:sc= -1.34 (180deg=-3.39!) USER MOD Single : A 112 LYS NZ :NH3+ -160:sc= -0.0231 (180deg=-0.369) USER MOD Single : A 113 CYS SG : rot 159:sc= -4.71! USER MOD Single : A 115 LYS NZ :NH3+ -153:sc= -0.0333 (180deg=-0.378) USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 7.773 2.492 -26.526 1.00 0.00 N ATOM 2 CA ASP A 1 6.602 3.319 -26.152 1.00 0.00 C ATOM 3 C ASP A 1 5.342 2.767 -26.810 1.00 0.00 C ATOM 4 O ASP A 1 5.389 2.232 -27.900 1.00 0.00 O ATOM 5 CB ASP A 1 6.813 4.767 -26.623 1.00 0.00 C ATOM 6 CG ASP A 1 5.505 5.544 -26.466 1.00 0.00 C ATOM 7 OD1 ASP A 1 5.135 5.755 -25.322 1.00 0.00 O ATOM 8 OD2 ASP A 1 4.949 5.885 -27.496 1.00 0.00 O ATOM 0 H1 ASP A 1 8.005 1.845 -25.745 1.00 0.00 H new ATOM 0 H2 ASP A 1 7.550 1.940 -27.378 1.00 0.00 H new ATOM 0 H3 ASP A 1 8.587 3.110 -26.717 1.00 0.00 H new ATOM 0 HA ASP A 1 6.491 3.295 -25.068 1.00 0.00 H new ATOM 0 HB2 ASP A 1 7.603 5.240 -26.040 1.00 0.00 H new ATOM 0 HB3 ASP A 1 7.135 4.780 -27.664 1.00 0.00 H new ATOM 12 N VAL A 2 4.235 2.908 -26.130 1.00 0.00 N ATOM 13 CA VAL A 2 2.957 2.400 -26.691 1.00 0.00 C ATOM 14 C VAL A 2 2.637 3.051 -28.030 1.00 0.00 C ATOM 15 O VAL A 2 2.437 4.247 -28.110 1.00 0.00 O ATOM 16 CB VAL A 2 1.834 2.737 -25.706 1.00 0.00 C ATOM 17 CG1 VAL A 2 0.550 2.041 -26.156 1.00 0.00 C ATOM 18 CG2 VAL A 2 2.220 2.236 -24.314 1.00 0.00 C ATOM 0 H VAL A 2 4.164 3.352 -25.214 1.00 0.00 H new ATOM 0 HA VAL A 2 3.047 1.325 -26.845 1.00 0.00 H new ATOM 0 HB VAL A 2 1.677 3.815 -25.677 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -0.255 2.276 -25.459 1.00 0.00 H new ATOM 0 HG12 VAL A 2 0.279 2.387 -27.154 1.00 0.00 H new ATOM 0 HG13 VAL A 2 0.709 0.963 -26.177 1.00 0.00 H new ATOM 0 HG21 VAL A 2 1.424 2.473 -23.608 1.00 0.00 H new ATOM 0 HG22 VAL A 2 2.369 1.157 -24.344 1.00 0.00 H new ATOM 0 HG23 VAL A 2 3.143 2.721 -23.996 1.00 0.00 H new ATOM 28 N THR A 3 2.598 2.246 -29.062 1.00 0.00 N ATOM 29 CA THR A 3 2.292 2.800 -30.409 1.00 0.00 C ATOM 30 C THR A 3 1.487 1.834 -31.346 1.00 0.00 C ATOM 31 O THR A 3 0.869 2.292 -32.286 1.00 0.00 O ATOM 32 CB THR A 3 3.623 3.127 -31.086 1.00 0.00 C ATOM 33 OG1 THR A 3 4.518 3.414 -30.029 1.00 0.00 O ATOM 34 CG2 THR A 3 3.526 4.440 -31.877 1.00 0.00 C ATOM 0 H THR A 3 2.763 1.240 -29.028 1.00 0.00 H new ATOM 0 HA THR A 3 1.657 3.673 -30.256 1.00 0.00 H new ATOM 0 HB THR A 3 3.916 2.307 -31.742 1.00 0.00 H new ATOM 0 HG1 THR A 3 4.858 2.576 -29.652 1.00 0.00 H new ATOM 0 HG21 THR A 3 4.485 4.652 -32.350 1.00 0.00 H new ATOM 0 HG22 THR A 3 2.756 4.347 -32.643 1.00 0.00 H new ATOM 0 HG23 THR A 3 3.268 5.254 -31.200 1.00 0.00 H new ATOM 42 N PRO A 4 1.497 0.521 -31.081 1.00 0.00 N ATOM 43 CA PRO A 4 0.762 -0.423 -31.931 1.00 0.00 C ATOM 44 C PRO A 4 -0.739 -0.190 -31.876 1.00 0.00 C ATOM 45 O PRO A 4 -1.320 -0.075 -30.815 1.00 0.00 O ATOM 46 CB PRO A 4 1.094 -1.819 -31.360 1.00 0.00 C ATOM 47 CG PRO A 4 2.039 -1.607 -30.142 1.00 0.00 C ATOM 48 CD PRO A 4 2.208 -0.090 -29.953 1.00 0.00 C ATOM 0 HA PRO A 4 1.050 -0.309 -32.976 1.00 0.00 H new ATOM 0 HB2 PRO A 4 0.184 -2.336 -31.055 1.00 0.00 H new ATOM 0 HB3 PRO A 4 1.575 -2.439 -32.116 1.00 0.00 H new ATOM 0 HG2 PRO A 4 1.618 -2.061 -29.245 1.00 0.00 H new ATOM 0 HG3 PRO A 4 3.004 -2.082 -30.317 1.00 0.00 H new ATOM 0 HD2 PRO A 4 1.790 0.237 -29.001 1.00 0.00 H new ATOM 0 HD3 PRO A 4 3.261 0.192 -29.952 1.00 0.00 H new ATOM 56 N ARG A 5 -1.337 -0.126 -33.031 1.00 0.00 N ATOM 57 CA ARG A 5 -2.798 0.098 -33.091 1.00 0.00 C ATOM 58 C ARG A 5 -3.542 -1.227 -33.045 1.00 0.00 C ATOM 59 O ARG A 5 -3.059 -2.231 -33.529 1.00 0.00 O ATOM 60 CB ARG A 5 -3.112 0.798 -34.424 1.00 0.00 C ATOM 61 CG ARG A 5 -4.638 0.918 -34.607 1.00 0.00 C ATOM 62 CD ARG A 5 -5.188 1.953 -33.623 1.00 0.00 C ATOM 63 NE ARG A 5 -5.803 1.244 -32.464 1.00 0.00 N ATOM 64 CZ ARG A 5 -6.174 1.929 -31.417 1.00 0.00 C ATOM 65 NH1 ARG A 5 -5.379 2.854 -30.954 1.00 0.00 N ATOM 66 NH2 ARG A 5 -7.329 1.666 -30.868 1.00 0.00 N ATOM 0 H ARG A 5 -0.873 -0.220 -33.935 1.00 0.00 H new ATOM 0 HA ARG A 5 -3.112 0.704 -32.241 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -2.656 1.788 -34.441 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -2.681 0.234 -35.251 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -4.871 1.213 -35.630 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -5.113 -0.049 -34.438 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -4.388 2.609 -33.281 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -5.929 2.583 -34.115 1.00 0.00 H new ATOM 0 HE ARG A 5 -5.933 0.233 -32.489 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -4.484 3.032 -31.409 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -5.653 3.399 -30.137 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -7.925 0.935 -31.258 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -7.636 2.191 -30.049 1.00 0.00 H new ATOM 80 N ARG A 6 -4.707 -1.208 -32.465 1.00 0.00 N ATOM 81 CA ARG A 6 -5.495 -2.457 -32.380 1.00 0.00 C ATOM 82 C ARG A 6 -6.912 -2.174 -31.926 1.00 0.00 C ATOM 83 O ARG A 6 -7.135 -1.498 -30.941 1.00 0.00 O ATOM 84 CB ARG A 6 -4.831 -3.395 -31.361 1.00 0.00 C ATOM 85 CG ARG A 6 -5.436 -4.796 -31.501 1.00 0.00 C ATOM 86 CD ARG A 6 -6.631 -4.930 -30.546 1.00 0.00 C ATOM 87 NE ARG A 6 -6.197 -5.662 -29.323 1.00 0.00 N ATOM 88 CZ ARG A 6 -6.900 -5.552 -28.226 1.00 0.00 C ATOM 89 NH1 ARG A 6 -8.154 -5.915 -28.243 1.00 0.00 N ATOM 90 NH2 ARG A 6 -6.328 -5.078 -27.153 1.00 0.00 N ATOM 0 H ARG A 6 -5.143 -0.385 -32.049 1.00 0.00 H new ATOM 0 HA ARG A 6 -5.527 -2.916 -33.368 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -3.755 -3.432 -31.529 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -4.983 -3.019 -30.349 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -5.756 -4.965 -32.529 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -4.686 -5.553 -31.272 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -7.012 -3.944 -30.279 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -7.445 -5.464 -31.035 1.00 0.00 H new ATOM 0 HE ARG A 6 -5.359 -6.244 -29.341 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -8.569 -6.277 -29.102 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -8.719 -5.837 -27.397 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -5.347 -4.800 -27.179 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -6.862 -4.986 -26.289 1.00 0.00 H new ATOM 104 N ASP A 7 -7.840 -2.699 -32.654 1.00 0.00 N ATOM 105 CA ASP A 7 -9.255 -2.492 -32.307 1.00 0.00 C ATOM 106 C ASP A 7 -10.112 -3.409 -33.147 1.00 0.00 C ATOM 107 O ASP A 7 -9.720 -3.801 -34.211 1.00 0.00 O ATOM 108 CB ASP A 7 -9.628 -1.031 -32.616 1.00 0.00 C ATOM 109 CG ASP A 7 -11.012 -0.725 -32.037 1.00 0.00 C ATOM 110 OD1 ASP A 7 -11.966 -0.964 -32.759 1.00 0.00 O ATOM 111 OD2 ASP A 7 -11.037 -0.267 -30.906 1.00 0.00 O ATOM 0 H ASP A 7 -7.676 -3.269 -33.484 1.00 0.00 H new ATOM 0 HA ASP A 7 -9.417 -2.706 -31.251 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -8.886 -0.357 -32.189 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -9.627 -0.864 -33.693 1.00 0.00 H new ATOM 116 N ALA A 8 -11.254 -3.753 -32.658 1.00 0.00 N ATOM 117 CA ALA A 8 -12.125 -4.649 -33.447 1.00 0.00 C ATOM 118 C ALA A 8 -12.653 -3.923 -34.677 1.00 0.00 C ATOM 119 O ALA A 8 -13.844 -3.894 -34.913 1.00 0.00 O ATOM 120 CB ALA A 8 -13.313 -5.061 -32.567 1.00 0.00 C ATOM 0 H ALA A 8 -11.624 -3.458 -31.754 1.00 0.00 H new ATOM 0 HA ALA A 8 -11.556 -5.521 -33.768 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -13.970 -5.724 -33.130 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -12.947 -5.580 -31.681 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -13.867 -4.172 -32.264 1.00 0.00 H new ATOM 126 N GLU A 9 -11.758 -3.345 -35.451 1.00 0.00 N ATOM 127 CA GLU A 9 -12.226 -2.624 -36.660 1.00 0.00 C ATOM 128 C GLU A 9 -11.096 -2.337 -37.666 1.00 0.00 C ATOM 129 O GLU A 9 -11.347 -2.256 -38.852 1.00 0.00 O ATOM 130 CB GLU A 9 -12.824 -1.288 -36.200 1.00 0.00 C ATOM 131 CG GLU A 9 -13.062 -0.396 -37.416 1.00 0.00 C ATOM 132 CD GLU A 9 -14.052 0.708 -37.042 1.00 0.00 C ATOM 133 OE1 GLU A 9 -13.687 1.492 -36.180 1.00 0.00 O ATOM 134 OE2 GLU A 9 -15.116 0.706 -37.638 1.00 0.00 O ATOM 0 H GLU A 9 -10.750 -3.346 -35.295 1.00 0.00 H new ATOM 0 HA GLU A 9 -12.954 -3.255 -37.170 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -13.762 -1.459 -35.671 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -12.149 -0.796 -35.500 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -12.121 0.041 -37.752 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -13.453 -0.987 -38.245 1.00 0.00 H new ATOM 141 N TYR A 10 -9.879 -2.189 -37.192 1.00 0.00 N ATOM 142 CA TYR A 10 -8.765 -1.906 -38.156 1.00 0.00 C ATOM 143 C TYR A 10 -8.109 -3.191 -38.686 1.00 0.00 C ATOM 144 O TYR A 10 -7.664 -3.235 -39.813 1.00 0.00 O ATOM 145 CB TYR A 10 -7.683 -1.034 -37.462 1.00 0.00 C ATOM 146 CG TYR A 10 -6.477 -0.889 -38.397 1.00 0.00 C ATOM 147 CD1 TYR A 10 -5.553 -1.908 -38.512 1.00 0.00 C ATOM 148 CD2 TYR A 10 -6.295 0.265 -39.132 1.00 0.00 C ATOM 149 CE1 TYR A 10 -4.463 -1.776 -39.349 1.00 0.00 C ATOM 150 CE2 TYR A 10 -5.204 0.397 -39.969 1.00 0.00 C ATOM 151 CZ TYR A 10 -4.280 -0.623 -40.084 1.00 0.00 C ATOM 152 OH TYR A 10 -3.189 -0.488 -40.920 1.00 0.00 O ATOM 0 H TYR A 10 -9.613 -2.250 -36.209 1.00 0.00 H new ATOM 0 HA TYR A 10 -9.199 -1.378 -39.005 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -8.090 -0.053 -37.219 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -7.377 -1.493 -36.522 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -5.684 -2.816 -37.942 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -7.010 1.070 -39.052 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -3.748 -2.582 -39.429 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -5.073 1.305 -40.538 1.00 0.00 H new ATOM 0 HH TYR A 10 -2.532 -1.186 -40.715 1.00 0.00 H new ATOM 162 N PRO A 11 -8.061 -4.215 -37.857 1.00 0.00 N ATOM 163 CA PRO A 11 -7.465 -5.488 -38.235 1.00 0.00 C ATOM 164 C PRO A 11 -8.517 -6.454 -38.808 1.00 0.00 C ATOM 165 O PRO A 11 -9.397 -6.876 -38.095 1.00 0.00 O ATOM 166 CB PRO A 11 -6.994 -6.069 -36.894 1.00 0.00 C ATOM 167 CG PRO A 11 -7.810 -5.329 -35.787 1.00 0.00 C ATOM 168 CD PRO A 11 -8.541 -4.165 -36.484 1.00 0.00 C ATOM 0 HA PRO A 11 -6.687 -5.358 -38.987 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -7.169 -7.144 -36.853 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -5.924 -5.914 -36.757 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -8.521 -6.005 -35.313 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -7.151 -4.958 -35.002 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -9.623 -4.288 -36.435 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -8.307 -3.209 -36.015 1.00 0.00 H new ATOM 176 N PRO A 12 -8.408 -6.793 -40.081 1.00 0.00 N ATOM 177 CA PRO A 12 -9.368 -7.710 -40.696 1.00 0.00 C ATOM 178 C PRO A 12 -9.252 -9.102 -40.033 1.00 0.00 C ATOM 179 O PRO A 12 -8.245 -9.760 -40.177 1.00 0.00 O ATOM 180 CB PRO A 12 -8.936 -7.796 -42.175 1.00 0.00 C ATOM 181 CG PRO A 12 -7.654 -6.918 -42.338 1.00 0.00 C ATOM 182 CD PRO A 12 -7.348 -6.300 -40.966 1.00 0.00 C ATOM 0 HA PRO A 12 -10.399 -7.374 -40.585 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -8.732 -8.829 -42.456 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -9.732 -7.439 -42.829 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -6.815 -7.523 -42.683 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -7.814 -6.139 -43.084 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -6.364 -6.602 -40.608 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -7.350 -5.211 -41.015 1.00 0.00 H new ATOM 190 N PRO A 13 -10.302 -9.536 -39.335 1.00 0.00 N ATOM 191 CA PRO A 13 -10.286 -10.844 -38.662 1.00 0.00 C ATOM 192 C PRO A 13 -10.015 -12.009 -39.615 1.00 0.00 C ATOM 193 O PRO A 13 -9.233 -12.886 -39.309 1.00 0.00 O ATOM 194 CB PRO A 13 -11.696 -10.992 -38.054 1.00 0.00 C ATOM 195 CG PRO A 13 -12.460 -9.657 -38.312 1.00 0.00 C ATOM 196 CD PRO A 13 -11.566 -8.788 -39.210 1.00 0.00 C ATOM 0 HA PRO A 13 -9.483 -10.878 -37.925 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -12.224 -11.830 -38.509 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -11.633 -11.197 -36.985 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -13.419 -9.849 -38.794 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -12.672 -9.147 -37.372 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -12.026 -8.626 -40.185 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -11.400 -7.805 -38.768 1.00 0.00 H new ATOM 204 N GLU A 14 -10.663 -12.004 -40.739 1.00 0.00 N ATOM 205 CA GLU A 14 -10.449 -13.111 -41.711 1.00 0.00 C ATOM 206 C GLU A 14 -8.966 -13.485 -41.829 1.00 0.00 C ATOM 207 O GLU A 14 -8.612 -14.657 -41.846 1.00 0.00 O ATOM 208 CB GLU A 14 -10.958 -12.645 -43.085 1.00 0.00 C ATOM 209 CG GLU A 14 -11.292 -11.152 -43.014 1.00 0.00 C ATOM 210 CD GLU A 14 -11.479 -10.604 -44.430 1.00 0.00 C ATOM 211 OE1 GLU A 14 -11.597 -11.430 -45.320 1.00 0.00 O ATOM 212 OE2 GLU A 14 -11.493 -9.389 -44.542 1.00 0.00 O ATOM 0 H GLU A 14 -11.329 -11.288 -41.029 1.00 0.00 H new ATOM 0 HA GLU A 14 -10.989 -13.992 -41.363 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -10.201 -12.825 -43.848 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -11.842 -13.215 -43.372 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -12.200 -10.999 -42.430 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -10.492 -10.613 -42.507 1.00 0.00 H new ATOM 219 N LEU A 15 -8.126 -12.491 -41.889 1.00 0.00 N ATOM 220 CA LEU A 15 -6.680 -12.774 -42.005 1.00 0.00 C ATOM 221 C LEU A 15 -6.119 -13.276 -40.689 1.00 0.00 C ATOM 222 O LEU A 15 -5.060 -13.866 -40.650 1.00 0.00 O ATOM 223 CB LEU A 15 -5.969 -11.476 -42.394 1.00 0.00 C ATOM 224 CG LEU A 15 -6.698 -10.853 -43.588 1.00 0.00 C ATOM 225 CD1 LEU A 15 -5.897 -9.652 -44.102 1.00 0.00 C ATOM 226 CD2 LEU A 15 -6.822 -11.894 -44.704 1.00 0.00 C ATOM 0 H LEU A 15 -8.381 -11.504 -41.863 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.524 -13.546 -42.759 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.962 -10.783 -41.553 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.929 -11.678 -42.650 1.00 0.00 H new ATOM 0 HG LEU A 15 -7.691 -10.525 -43.280 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -6.414 -9.207 -44.952 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.801 -8.912 -43.308 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.906 -9.982 -44.412 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -7.341 -11.454 -45.556 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.828 -12.217 -45.012 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -7.386 -12.753 -44.340 1.00 0.00 H new ATOM 238 N LEU A 16 -6.832 -13.028 -39.627 1.00 0.00 N ATOM 239 CA LEU A 16 -6.339 -13.493 -38.318 1.00 0.00 C ATOM 240 C LEU A 16 -6.724 -14.945 -38.106 1.00 0.00 C ATOM 241 O LEU A 16 -6.045 -15.672 -37.420 1.00 0.00 O ATOM 242 CB LEU A 16 -6.978 -12.643 -37.207 1.00 0.00 C ATOM 243 CG LEU A 16 -6.743 -11.159 -37.502 1.00 0.00 C ATOM 244 CD1 LEU A 16 -7.231 -10.327 -36.314 1.00 0.00 C ATOM 245 CD2 LEU A 16 -5.246 -10.908 -37.710 1.00 0.00 C ATOM 0 H LEU A 16 -7.722 -12.530 -39.615 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.254 -13.397 -38.290 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -8.047 -12.848 -37.146 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.548 -12.905 -36.240 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.288 -10.876 -38.402 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -7.066 -9.269 -36.518 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -8.295 -10.505 -36.158 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -6.680 -10.614 -35.418 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.080 -9.851 -37.920 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.701 -11.189 -36.809 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.890 -11.505 -38.550 1.00 0.00 H new ATOM 257 N GLU A 17 -7.812 -15.343 -38.712 1.00 0.00 N ATOM 258 CA GLU A 17 -8.261 -16.748 -38.559 1.00 0.00 C ATOM 259 C GLU A 17 -7.394 -17.688 -39.387 1.00 0.00 C ATOM 260 O GLU A 17 -7.179 -18.821 -39.014 1.00 0.00 O ATOM 261 CB GLU A 17 -9.711 -16.855 -39.060 1.00 0.00 C ATOM 262 CG GLU A 17 -10.663 -16.376 -37.959 1.00 0.00 C ATOM 263 CD GLU A 17 -12.103 -16.431 -38.477 1.00 0.00 C ATOM 264 OE1 GLU A 17 -12.491 -17.514 -38.884 1.00 0.00 O ATOM 265 OE2 GLU A 17 -12.733 -15.387 -38.436 1.00 0.00 O ATOM 0 H GLU A 17 -8.402 -14.756 -39.302 1.00 0.00 H new ATOM 0 HA GLU A 17 -8.184 -17.030 -37.509 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -9.843 -16.252 -39.959 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -9.939 -17.886 -39.331 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.559 -17.003 -37.074 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -10.410 -15.359 -37.661 1.00 0.00 H new ATOM 272 N ALA A 18 -6.920 -17.208 -40.506 1.00 0.00 N ATOM 273 CA ALA A 18 -6.064 -18.077 -41.359 1.00 0.00 C ATOM 274 C ALA A 18 -4.604 -18.038 -40.893 1.00 0.00 C ATOM 275 O ALA A 18 -3.896 -19.037 -40.949 1.00 0.00 O ATOM 276 CB ALA A 18 -6.142 -17.556 -42.808 1.00 0.00 C ATOM 0 H ALA A 18 -7.086 -16.266 -40.861 1.00 0.00 H new ATOM 0 HA ALA A 18 -6.419 -19.105 -41.291 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.521 -18.179 -43.452 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -7.175 -17.594 -43.153 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -5.785 -16.527 -42.844 1.00 0.00 H new ATOM 282 N LEU A 19 -4.185 -16.897 -40.415 1.00 0.00 N ATOM 283 CA LEU A 19 -2.782 -16.772 -39.943 1.00 0.00 C ATOM 284 C LEU A 19 -2.574 -17.431 -38.579 1.00 0.00 C ATOM 285 O LEU A 19 -1.567 -18.074 -38.354 1.00 0.00 O ATOM 286 CB LEU A 19 -2.446 -15.278 -39.821 1.00 0.00 C ATOM 287 CG LEU A 19 -2.362 -14.669 -41.221 1.00 0.00 C ATOM 288 CD1 LEU A 19 -2.206 -13.149 -41.102 1.00 0.00 C ATOM 289 CD2 LEU A 19 -1.143 -15.243 -41.942 1.00 0.00 C ATOM 0 H LEU A 19 -4.752 -16.053 -40.332 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.134 -17.275 -40.661 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.209 -14.767 -39.234 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.500 -15.147 -39.296 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.268 -14.903 -41.780 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.146 -12.710 -42.098 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.066 -12.735 -40.575 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.296 -12.919 -40.548 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.076 -14.814 -42.942 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.241 -15.000 -41.381 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.242 -16.326 -42.018 1.00 0.00 H new ATOM 301 N LYS A 20 -3.517 -17.266 -37.690 1.00 0.00 N ATOM 302 CA LYS A 20 -3.355 -17.887 -36.352 1.00 0.00 C ATOM 303 C LYS A 20 -2.998 -19.383 -36.467 1.00 0.00 C ATOM 304 O LYS A 20 -2.029 -19.826 -35.883 1.00 0.00 O ATOM 305 CB LYS A 20 -4.660 -17.693 -35.535 1.00 0.00 C ATOM 306 CG LYS A 20 -4.909 -18.909 -34.636 1.00 0.00 C ATOM 307 CD LYS A 20 -6.170 -18.659 -33.804 1.00 0.00 C ATOM 308 CE LYS A 20 -5.943 -19.173 -32.385 1.00 0.00 C ATOM 309 NZ LYS A 20 -5.176 -18.177 -31.586 1.00 0.00 N ATOM 0 H LYS A 20 -4.377 -16.737 -37.832 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.530 -17.397 -35.835 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.586 -16.791 -34.927 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.503 -17.553 -36.211 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.029 -19.808 -35.241 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.053 -19.077 -33.982 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.403 -17.594 -33.785 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -7.024 -19.164 -34.255 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -6.902 -19.372 -31.906 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -5.401 -20.118 -32.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -5.030 -18.542 -30.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -4.254 -18.008 -32.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -5.708 -17.285 -31.541 1.00 0.00 H new ATOM 323 N PRO A 21 -3.788 -20.148 -37.223 1.00 0.00 N ATOM 324 CA PRO A 21 -3.518 -21.568 -37.384 1.00 0.00 C ATOM 325 C PRO A 21 -2.164 -21.782 -38.025 1.00 0.00 C ATOM 326 O PRO A 21 -1.326 -22.472 -37.484 1.00 0.00 O ATOM 327 CB PRO A 21 -4.621 -22.088 -38.327 1.00 0.00 C ATOM 328 CG PRO A 21 -5.495 -20.867 -38.727 1.00 0.00 C ATOM 329 CD PRO A 21 -4.967 -19.655 -37.941 1.00 0.00 C ATOM 0 HA PRO A 21 -3.511 -22.085 -36.424 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -4.184 -22.554 -39.210 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -5.225 -22.848 -37.831 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -5.435 -20.686 -39.800 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -6.544 -21.051 -38.493 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -4.706 -18.835 -38.610 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -5.719 -19.276 -37.249 1.00 0.00 H new ATOM 337 N LEU A 22 -1.959 -21.190 -39.174 1.00 0.00 N ATOM 338 CA LEU A 22 -0.649 -21.374 -39.827 1.00 0.00 C ATOM 339 C LEU A 22 0.449 -21.106 -38.812 1.00 0.00 C ATOM 340 O LEU A 22 1.398 -21.862 -38.686 1.00 0.00 O ATOM 341 CB LEU A 22 -0.528 -20.364 -40.992 1.00 0.00 C ATOM 342 CG LEU A 22 0.667 -20.730 -41.898 1.00 0.00 C ATOM 343 CD1 LEU A 22 1.987 -20.469 -41.145 1.00 0.00 C ATOM 344 CD2 LEU A 22 0.574 -22.212 -42.309 1.00 0.00 C ATOM 0 H LEU A 22 -2.629 -20.603 -39.671 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.556 -22.391 -40.208 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.448 -20.361 -41.576 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.398 -19.357 -40.597 1.00 0.00 H new ATOM 0 HG LEU A 22 0.643 -20.113 -42.796 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.829 -20.728 -41.787 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.049 -19.415 -40.873 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.018 -21.079 -40.242 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.419 -22.466 -42.948 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.592 -22.839 -41.417 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.356 -22.381 -42.852 1.00 0.00 H new ATOM 356 N HIS A 23 0.287 -20.028 -38.095 1.00 0.00 N ATOM 357 CA HIS A 23 1.292 -19.664 -37.073 1.00 0.00 C ATOM 358 C HIS A 23 1.402 -20.758 -36.021 1.00 0.00 C ATOM 359 O HIS A 23 2.486 -21.150 -35.639 1.00 0.00 O ATOM 360 CB HIS A 23 0.823 -18.357 -36.396 1.00 0.00 C ATOM 361 CG HIS A 23 1.356 -18.287 -34.957 1.00 0.00 C ATOM 362 ND1 HIS A 23 1.240 -19.192 -34.100 1.00 0.00 N ATOM 363 CD2 HIS A 23 2.027 -17.263 -34.319 1.00 0.00 C ATOM 364 CE1 HIS A 23 1.762 -18.854 -32.994 1.00 0.00 C ATOM 365 NE2 HIS A 23 2.294 -17.633 -33.036 1.00 0.00 N ATOM 0 H HIS A 23 -0.502 -19.386 -38.177 1.00 0.00 H new ATOM 0 HA HIS A 23 2.267 -19.537 -37.543 1.00 0.00 H new ATOM 0 HB2 HIS A 23 1.176 -17.497 -36.965 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -0.266 -18.311 -36.391 1.00 0.00 H new ATOM 0 HD1 HIS A 23 0.783 -20.088 -34.269 1.00 0.00 H new ATOM 0 HD2 HIS A 23 2.297 -16.318 -34.767 1.00 0.00 H new ATOM 0 HE1 HIS A 23 1.774 -19.485 -32.117 1.00 0.00 H new ATOM 373 N ASP A 24 0.270 -21.232 -35.572 1.00 0.00 N ATOM 374 CA ASP A 24 0.283 -22.299 -34.545 1.00 0.00 C ATOM 375 C ASP A 24 1.142 -23.469 -34.995 1.00 0.00 C ATOM 376 O ASP A 24 1.896 -24.018 -34.223 1.00 0.00 O ATOM 377 CB ASP A 24 -1.158 -22.790 -34.334 1.00 0.00 C ATOM 378 CG ASP A 24 -2.023 -21.619 -33.861 1.00 0.00 C ATOM 379 OD1 ASP A 24 -1.440 -20.571 -33.641 1.00 0.00 O ATOM 380 OD2 ASP A 24 -3.217 -21.839 -33.748 1.00 0.00 O ATOM 0 H ASP A 24 -0.655 -20.925 -35.873 1.00 0.00 H new ATOM 0 HA ASP A 24 0.697 -21.898 -33.620 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.555 -23.200 -35.263 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.177 -23.593 -33.597 1.00 0.00 H new ATOM 385 N ILE A 25 1.017 -23.825 -36.244 1.00 0.00 N ATOM 386 CA ILE A 25 1.820 -24.956 -36.760 1.00 0.00 C ATOM 387 C ILE A 25 3.319 -24.685 -36.587 1.00 0.00 C ATOM 388 O ILE A 25 4.032 -25.482 -36.006 1.00 0.00 O ATOM 389 CB ILE A 25 1.459 -25.156 -38.260 1.00 0.00 C ATOM 390 CG1 ILE A 25 1.082 -26.610 -38.500 1.00 0.00 C ATOM 391 CG2 ILE A 25 2.671 -24.819 -39.165 1.00 0.00 C ATOM 392 CD1 ILE A 25 0.587 -26.770 -39.939 1.00 0.00 C ATOM 0 H ILE A 25 0.396 -23.382 -36.921 1.00 0.00 H new ATOM 0 HA ILE A 25 1.593 -25.863 -36.199 1.00 0.00 H new ATOM 0 HB ILE A 25 0.627 -24.494 -38.501 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.943 -27.255 -38.325 1.00 0.00 H new ATOM 0 HG13 ILE A 25 0.306 -26.917 -37.799 1.00 0.00 H new ATOM 0 HG21 ILE A 25 2.397 -24.966 -40.210 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.964 -23.781 -39.009 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.506 -25.473 -38.914 1.00 0.00 H new ATOM 0 HD11 ILE A 25 0.315 -27.811 -40.117 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -0.285 -26.135 -40.096 1.00 0.00 H new ATOM 0 HD13 ILE A 25 1.378 -26.478 -40.630 1.00 0.00 H new ATOM 404 N CYS A 26 3.769 -23.561 -37.076 1.00 0.00 N ATOM 405 CA CYS A 26 5.215 -23.247 -36.936 1.00 0.00 C ATOM 406 C CYS A 26 5.559 -22.922 -35.489 1.00 0.00 C ATOM 407 O CYS A 26 6.483 -23.479 -34.931 1.00 0.00 O ATOM 408 CB CYS A 26 5.548 -22.040 -37.829 1.00 0.00 C ATOM 409 SG CYS A 26 6.156 -22.386 -39.498 1.00 0.00 S ATOM 0 H CYS A 26 3.207 -22.859 -37.558 1.00 0.00 H new ATOM 0 HA CYS A 26 5.800 -24.115 -37.240 1.00 0.00 H new ATOM 0 HB2 CYS A 26 4.651 -21.428 -37.917 1.00 0.00 H new ATOM 0 HB3 CYS A 26 6.297 -21.437 -37.315 1.00 0.00 H new ATOM 0 HG CYS A 26 7.229 -23.116 -39.426 1.00 0.00 H new ATOM 415 N ALA A 27 4.815 -22.030 -34.904 1.00 0.00 N ATOM 416 CA ALA A 27 5.097 -21.670 -33.497 1.00 0.00 C ATOM 417 C ALA A 27 5.109 -22.920 -32.628 1.00 0.00 C ATOM 418 O ALA A 27 5.936 -23.060 -31.749 1.00 0.00 O ATOM 419 CB ALA A 27 3.989 -20.730 -33.002 1.00 0.00 C ATOM 0 H ALA A 27 4.032 -21.540 -35.337 1.00 0.00 H new ATOM 0 HA ALA A 27 6.070 -21.184 -33.435 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.182 -20.455 -31.965 1.00 0.00 H new ATOM 0 HB2 ALA A 27 3.972 -19.832 -33.619 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.026 -21.235 -33.070 1.00 0.00 H new ATOM 425 N LYS A 28 4.189 -23.811 -32.893 1.00 0.00 N ATOM 426 CA LYS A 28 4.136 -25.056 -32.092 1.00 0.00 C ATOM 427 C LYS A 28 5.294 -25.968 -32.459 1.00 0.00 C ATOM 428 O LYS A 28 5.660 -26.845 -31.702 1.00 0.00 O ATOM 429 CB LYS A 28 2.817 -25.789 -32.396 1.00 0.00 C ATOM 430 CG LYS A 28 2.749 -27.063 -31.550 1.00 0.00 C ATOM 431 CD LYS A 28 1.293 -27.522 -31.445 1.00 0.00 C ATOM 432 CE LYS A 28 1.229 -28.786 -30.586 1.00 0.00 C ATOM 433 NZ LYS A 28 -0.186 -29.151 -30.295 1.00 0.00 N ATOM 0 H LYS A 28 3.482 -23.727 -33.623 1.00 0.00 H new ATOM 0 HA LYS A 28 4.199 -24.801 -31.034 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.967 -25.143 -32.173 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.760 -26.037 -33.456 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.358 -27.846 -32.002 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.156 -26.876 -30.556 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.681 -26.735 -31.003 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.889 -27.721 -32.438 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.724 -29.609 -31.102 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.768 -28.626 -29.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.210 -30.011 -29.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.647 -28.372 -29.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.690 -29.325 -31.188 1.00 0.00 H new ATOM 447 N LYS A 29 5.854 -25.748 -33.620 1.00 0.00 N ATOM 448 CA LYS A 29 6.987 -26.597 -34.041 1.00 0.00 C ATOM 449 C LYS A 29 8.277 -26.041 -33.492 1.00 0.00 C ATOM 450 O LYS A 29 9.152 -26.773 -33.073 1.00 0.00 O ATOM 451 CB LYS A 29 7.060 -26.599 -35.574 1.00 0.00 C ATOM 452 CG LYS A 29 6.269 -27.790 -36.115 1.00 0.00 C ATOM 453 CD LYS A 29 6.608 -27.979 -37.596 1.00 0.00 C ATOM 454 CE LYS A 29 5.419 -28.630 -38.306 1.00 0.00 C ATOM 455 NZ LYS A 29 5.584 -28.545 -39.785 1.00 0.00 N ATOM 0 H LYS A 29 5.574 -25.024 -34.282 1.00 0.00 H new ATOM 0 HA LYS A 29 6.841 -27.610 -33.665 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.654 -25.668 -35.970 1.00 0.00 H new ATOM 0 HB3 LYS A 29 8.098 -26.659 -35.900 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.515 -28.692 -35.554 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.199 -27.619 -35.992 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.838 -27.017 -38.054 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.496 -28.603 -37.701 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.334 -29.674 -38.003 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.495 -28.135 -38.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.769 -28.991 -40.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.643 -27.547 -40.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.456 -29.037 -40.066 1.00 0.00 H new ATOM 469 N THR A 30 8.370 -24.751 -33.505 1.00 0.00 N ATOM 470 CA THR A 30 9.582 -24.107 -32.993 1.00 0.00 C ATOM 471 C THR A 30 9.536 -24.052 -31.475 1.00 0.00 C ATOM 472 O THR A 30 10.500 -23.690 -30.829 1.00 0.00 O ATOM 473 CB THR A 30 9.636 -22.684 -33.546 1.00 0.00 C ATOM 474 OG1 THR A 30 9.500 -22.823 -34.945 1.00 0.00 O ATOM 475 CG2 THR A 30 11.026 -22.081 -33.354 1.00 0.00 C ATOM 0 H THR A 30 7.651 -24.116 -33.852 1.00 0.00 H new ATOM 0 HA THR A 30 10.462 -24.672 -33.301 1.00 0.00 H new ATOM 0 HB THR A 30 8.881 -22.068 -33.058 1.00 0.00 H new ATOM 0 HG1 THR A 30 8.552 -22.917 -35.174 1.00 0.00 H new ATOM 0 HG21 THR A 30 11.042 -21.068 -33.755 1.00 0.00 H new ATOM 0 HG22 THR A 30 11.268 -22.055 -32.291 1.00 0.00 H new ATOM 0 HG23 THR A 30 11.762 -22.690 -33.878 1.00 0.00 H new ATOM 483 N GLY A 31 8.401 -24.413 -30.933 1.00 0.00 N ATOM 484 CA GLY A 31 8.258 -24.392 -29.447 1.00 0.00 C ATOM 485 C GLY A 31 7.954 -22.970 -28.955 1.00 0.00 C ATOM 486 O GLY A 31 7.688 -22.758 -27.789 1.00 0.00 O ATOM 0 H GLY A 31 7.576 -24.718 -31.449 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.458 -25.067 -29.143 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.175 -24.755 -28.983 1.00 0.00 H new ATOM 490 N VAL A 32 7.997 -22.029 -29.859 1.00 0.00 N ATOM 491 CA VAL A 32 7.717 -20.620 -29.470 1.00 0.00 C ATOM 492 C VAL A 32 6.428 -20.514 -28.663 1.00 0.00 C ATOM 493 O VAL A 32 5.650 -21.446 -28.607 1.00 0.00 O ATOM 494 CB VAL A 32 7.562 -19.790 -30.754 1.00 0.00 C ATOM 495 CG1 VAL A 32 6.816 -18.494 -30.437 1.00 0.00 C ATOM 496 CG2 VAL A 32 8.947 -19.448 -31.296 1.00 0.00 C ATOM 0 H VAL A 32 8.213 -22.175 -30.845 1.00 0.00 H new ATOM 0 HA VAL A 32 8.539 -20.255 -28.855 1.00 0.00 H new ATOM 0 HB VAL A 32 7.002 -20.362 -31.494 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.706 -17.905 -31.348 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.830 -18.730 -30.036 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.379 -17.921 -29.700 1.00 0.00 H new ATOM 0 HG21 VAL A 32 8.846 -18.859 -32.207 1.00 0.00 H new ATOM 0 HG22 VAL A 32 9.497 -18.873 -30.551 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.489 -20.368 -31.517 1.00 0.00 H new ATOM 506 N THR A 33 6.228 -19.376 -28.044 1.00 0.00 N ATOM 507 CA THR A 33 4.997 -19.189 -27.237 1.00 0.00 C ATOM 508 C THR A 33 4.475 -17.769 -27.358 1.00 0.00 C ATOM 509 O THR A 33 5.242 -16.829 -27.455 1.00 0.00 O ATOM 510 CB THR A 33 5.332 -19.465 -25.770 1.00 0.00 C ATOM 511 OG1 THR A 33 6.720 -19.223 -25.651 1.00 0.00 O ATOM 512 CG2 THR A 33 5.169 -20.958 -25.443 1.00 0.00 C ATOM 0 H THR A 33 6.863 -18.578 -28.066 1.00 0.00 H new ATOM 0 HA THR A 33 4.231 -19.873 -27.602 1.00 0.00 H new ATOM 0 HB THR A 33 4.693 -18.862 -25.126 1.00 0.00 H new ATOM 0 HG1 THR A 33 7.002 -19.382 -24.726 1.00 0.00 H new ATOM 0 HG21 THR A 33 5.413 -21.130 -24.395 1.00 0.00 H new ATOM 0 HG22 THR A 33 4.139 -21.261 -25.630 1.00 0.00 H new ATOM 0 HG23 THR A 33 5.840 -21.544 -26.072 1.00 0.00 H new ATOM 520 N ASP A 34 3.171 -17.638 -27.351 1.00 0.00 N ATOM 521 CA ASP A 34 2.571 -16.287 -27.464 1.00 0.00 C ATOM 522 C ASP A 34 3.331 -15.290 -26.603 1.00 0.00 C ATOM 523 O ASP A 34 3.584 -14.174 -27.015 1.00 0.00 O ATOM 524 CB ASP A 34 1.117 -16.359 -26.975 1.00 0.00 C ATOM 525 CG ASP A 34 0.375 -17.449 -27.753 1.00 0.00 C ATOM 526 OD1 ASP A 34 1.047 -18.119 -28.521 1.00 0.00 O ATOM 527 OD2 ASP A 34 -0.821 -17.552 -27.535 1.00 0.00 O ATOM 0 H ASP A 34 2.506 -18.407 -27.272 1.00 0.00 H new ATOM 0 HA ASP A 34 2.617 -15.960 -28.503 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.091 -16.576 -25.907 1.00 0.00 H new ATOM 0 HB3 ASP A 34 0.626 -15.396 -27.117 1.00 0.00 H new ATOM 532 N GLU A 35 3.684 -15.707 -25.416 1.00 0.00 N ATOM 533 CA GLU A 35 4.429 -14.792 -24.522 1.00 0.00 C ATOM 534 C GLU A 35 5.580 -14.148 -25.281 1.00 0.00 C ATOM 535 O GLU A 35 5.714 -12.942 -25.305 1.00 0.00 O ATOM 536 CB GLU A 35 4.994 -15.610 -23.347 1.00 0.00 C ATOM 537 CG GLU A 35 3.855 -16.389 -22.688 1.00 0.00 C ATOM 538 CD GLU A 35 3.093 -15.463 -21.735 1.00 0.00 C ATOM 539 OE1 GLU A 35 3.182 -14.266 -21.956 1.00 0.00 O ATOM 540 OE2 GLU A 35 2.465 -16.006 -20.841 1.00 0.00 O ATOM 0 H GLU A 35 3.488 -16.633 -25.035 1.00 0.00 H new ATOM 0 HA GLU A 35 3.762 -14.011 -24.157 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.763 -16.296 -23.702 1.00 0.00 H new ATOM 0 HB3 GLU A 35 5.467 -14.949 -22.621 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.180 -16.782 -23.449 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.253 -17.244 -22.142 1.00 0.00 H new ATOM 547 N ALA A 36 6.393 -14.969 -25.890 1.00 0.00 N ATOM 548 CA ALA A 36 7.538 -14.424 -26.653 1.00 0.00 C ATOM 549 C ALA A 36 7.035 -13.592 -27.820 1.00 0.00 C ATOM 550 O ALA A 36 7.535 -12.515 -28.084 1.00 0.00 O ATOM 551 CB ALA A 36 8.357 -15.602 -27.202 1.00 0.00 C ATOM 0 H ALA A 36 6.310 -15.986 -25.889 1.00 0.00 H new ATOM 0 HA ALA A 36 8.148 -13.797 -26.002 1.00 0.00 H new ATOM 0 HB1 ALA A 36 9.207 -15.222 -27.768 1.00 0.00 H new ATOM 0 HB2 ALA A 36 8.717 -16.212 -26.374 1.00 0.00 H new ATOM 0 HB3 ALA A 36 7.729 -16.209 -27.854 1.00 0.00 H new ATOM 557 N ILE A 37 6.044 -14.106 -28.497 1.00 0.00 N ATOM 558 CA ILE A 37 5.487 -13.363 -29.654 1.00 0.00 C ATOM 559 C ILE A 37 4.989 -11.981 -29.228 1.00 0.00 C ATOM 560 O ILE A 37 5.266 -10.992 -29.876 1.00 0.00 O ATOM 561 CB ILE A 37 4.306 -14.161 -30.205 1.00 0.00 C ATOM 562 CG1 ILE A 37 4.765 -15.561 -30.589 1.00 0.00 C ATOM 563 CG2 ILE A 37 3.778 -13.457 -31.464 1.00 0.00 C ATOM 564 CD1 ILE A 37 3.647 -16.263 -31.362 1.00 0.00 C ATOM 0 H ILE A 37 5.601 -15.003 -28.298 1.00 0.00 H new ATOM 0 HA ILE A 37 6.266 -13.234 -30.406 1.00 0.00 H new ATOM 0 HB ILE A 37 3.526 -14.226 -29.446 1.00 0.00 H new ATOM 0 HG12 ILE A 37 5.666 -15.506 -31.199 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.019 -16.131 -29.695 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.934 -14.017 -31.867 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.455 -12.448 -31.208 1.00 0.00 H new ATOM 0 HG23 ILE A 37 4.570 -13.406 -32.211 1.00 0.00 H new ATOM 0 HD11 ILE A 37 3.971 -17.266 -31.639 1.00 0.00 H new ATOM 0 HD12 ILE A 37 2.757 -16.329 -30.736 1.00 0.00 H new ATOM 0 HD13 ILE A 37 3.415 -15.695 -32.263 1.00 0.00 H new ATOM 576 N ILE A 38 4.263 -11.939 -28.141 1.00 0.00 N ATOM 577 CA ILE A 38 3.740 -10.632 -27.659 1.00 0.00 C ATOM 578 C ILE A 38 4.880 -9.698 -27.252 1.00 0.00 C ATOM 579 O ILE A 38 5.065 -8.654 -27.845 1.00 0.00 O ATOM 580 CB ILE A 38 2.836 -10.892 -26.436 1.00 0.00 C ATOM 581 CG1 ILE A 38 1.394 -11.068 -26.890 1.00 0.00 C ATOM 582 CG2 ILE A 38 2.898 -9.675 -25.490 1.00 0.00 C ATOM 583 CD1 ILE A 38 1.302 -12.277 -27.820 1.00 0.00 C ATOM 0 H ILE A 38 4.013 -12.748 -27.572 1.00 0.00 H new ATOM 0 HA ILE A 38 3.180 -10.155 -28.463 1.00 0.00 H new ATOM 0 HB ILE A 38 3.179 -11.792 -25.925 1.00 0.00 H new ATOM 0 HG12 ILE A 38 0.743 -11.208 -26.027 1.00 0.00 H new ATOM 0 HG13 ILE A 38 1.051 -10.171 -27.406 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.261 -9.854 -24.624 1.00 0.00 H new ATOM 0 HG22 ILE A 38 3.925 -9.523 -25.159 1.00 0.00 H new ATOM 0 HG23 ILE A 38 2.552 -8.786 -26.017 1.00 0.00 H new ATOM 0 HD11 ILE A 38 0.270 -12.406 -28.147 1.00 0.00 H new ATOM 0 HD12 ILE A 38 1.941 -12.117 -28.688 1.00 0.00 H new ATOM 0 HD13 ILE A 38 1.629 -13.171 -27.288 1.00 0.00 H new ATOM 595 N GLU A 39 5.618 -10.088 -26.244 1.00 0.00 N ATOM 596 CA GLU A 39 6.746 -9.231 -25.792 1.00 0.00 C ATOM 597 C GLU A 39 7.515 -8.673 -26.982 1.00 0.00 C ATOM 598 O GLU A 39 8.117 -7.620 -26.898 1.00 0.00 O ATOM 599 CB GLU A 39 7.699 -10.083 -24.941 1.00 0.00 C ATOM 600 CG GLU A 39 8.506 -9.160 -24.022 1.00 0.00 C ATOM 601 CD GLU A 39 7.559 -8.474 -23.034 1.00 0.00 C ATOM 602 OE1 GLU A 39 6.525 -9.067 -22.776 1.00 0.00 O ATOM 603 OE2 GLU A 39 7.924 -7.396 -22.594 1.00 0.00 O ATOM 0 H GLU A 39 5.488 -10.954 -25.721 1.00 0.00 H new ATOM 0 HA GLU A 39 6.346 -8.398 -25.213 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.134 -10.803 -24.349 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.369 -10.654 -25.584 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.259 -9.734 -23.482 1.00 0.00 H new ATOM 0 HG3 GLU A 39 9.037 -8.413 -24.613 1.00 0.00 H new ATOM 610 N PHE A 40 7.481 -9.388 -28.073 1.00 0.00 N ATOM 611 CA PHE A 40 8.205 -8.913 -29.279 1.00 0.00 C ATOM 612 C PHE A 40 7.385 -7.872 -30.030 1.00 0.00 C ATOM 613 O PHE A 40 7.929 -6.975 -30.641 1.00 0.00 O ATOM 614 CB PHE A 40 8.435 -10.114 -30.209 1.00 0.00 C ATOM 615 CG PHE A 40 9.211 -9.660 -31.446 1.00 0.00 C ATOM 616 CD1 PHE A 40 10.595 -9.652 -31.442 1.00 0.00 C ATOM 617 CD2 PHE A 40 8.540 -9.263 -32.590 1.00 0.00 C ATOM 618 CE1 PHE A 40 11.295 -9.255 -32.563 1.00 0.00 C ATOM 619 CE2 PHE A 40 9.244 -8.866 -33.709 1.00 0.00 C ATOM 620 CZ PHE A 40 10.618 -8.863 -33.695 1.00 0.00 C ATOM 0 H PHE A 40 6.986 -10.274 -28.179 1.00 0.00 H new ATOM 0 HA PHE A 40 9.149 -8.463 -28.971 1.00 0.00 H new ATOM 0 HB2 PHE A 40 8.989 -10.893 -29.685 1.00 0.00 H new ATOM 0 HB3 PHE A 40 7.479 -10.547 -30.505 1.00 0.00 H new ATOM 0 HD1 PHE A 40 11.131 -9.958 -30.556 1.00 0.00 H new ATOM 0 HD2 PHE A 40 7.460 -9.264 -32.607 1.00 0.00 H new ATOM 0 HE1 PHE A 40 12.375 -9.252 -32.552 1.00 0.00 H new ATOM 0 HE2 PHE A 40 8.714 -8.557 -34.598 1.00 0.00 H new ATOM 0 HZ PHE A 40 11.166 -8.553 -34.572 1.00 0.00 H new ATOM 630 N SER A 41 6.092 -8.012 -29.970 1.00 0.00 N ATOM 631 CA SER A 41 5.224 -7.040 -30.675 1.00 0.00 C ATOM 632 C SER A 41 4.867 -5.863 -29.776 1.00 0.00 C ATOM 633 O SER A 41 5.314 -4.754 -29.992 1.00 0.00 O ATOM 634 CB SER A 41 3.931 -7.761 -31.075 1.00 0.00 C ATOM 635 OG SER A 41 3.307 -8.068 -29.837 1.00 0.00 O ATOM 0 H SER A 41 5.604 -8.753 -29.466 1.00 0.00 H new ATOM 0 HA SER A 41 5.756 -6.657 -31.546 1.00 0.00 H new ATOM 0 HB2 SER A 41 3.297 -7.127 -31.694 1.00 0.00 H new ATOM 0 HB3 SER A 41 4.139 -8.663 -31.651 1.00 0.00 H new ATOM 0 HG SER A 41 2.462 -8.535 -30.004 1.00 0.00 H new ATOM 641 N ASP A 42 4.068 -6.127 -28.782 1.00 0.00 N ATOM 642 CA ASP A 42 3.669 -5.038 -27.859 1.00 0.00 C ATOM 643 C ASP A 42 4.822 -4.648 -26.937 1.00 0.00 C ATOM 644 O ASP A 42 5.090 -3.480 -26.734 1.00 0.00 O ATOM 645 CB ASP A 42 2.505 -5.548 -26.998 1.00 0.00 C ATOM 646 CG ASP A 42 1.953 -4.394 -26.158 1.00 0.00 C ATOM 647 OD1 ASP A 42 1.674 -3.371 -26.761 1.00 0.00 O ATOM 648 OD2 ASP A 42 1.842 -4.603 -24.961 1.00 0.00 O ATOM 0 H ASP A 42 3.677 -7.045 -28.572 1.00 0.00 H new ATOM 0 HA ASP A 42 3.382 -4.163 -28.443 1.00 0.00 H new ATOM 0 HB2 ASP A 42 1.720 -5.958 -27.633 1.00 0.00 H new ATOM 0 HB3 ASP A 42 2.844 -6.355 -26.349 1.00 0.00 H new ATOM 653 N GLY A 43 5.485 -5.635 -26.397 1.00 0.00 N ATOM 654 CA GLY A 43 6.627 -5.341 -25.482 1.00 0.00 C ATOM 655 C GLY A 43 7.846 -4.863 -26.275 1.00 0.00 C ATOM 656 O GLY A 43 7.716 -4.352 -27.370 1.00 0.00 O ATOM 0 H GLY A 43 5.288 -6.624 -26.548 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.334 -4.578 -24.760 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.884 -6.235 -24.914 1.00 0.00 H new ATOM 660 N LYS A 44 9.008 -5.038 -25.703 1.00 0.00 N ATOM 661 CA LYS A 44 10.240 -4.601 -26.404 1.00 0.00 C ATOM 662 C LYS A 44 10.830 -5.738 -27.234 1.00 0.00 C ATOM 663 O LYS A 44 10.855 -6.875 -26.808 1.00 0.00 O ATOM 664 CB LYS A 44 11.270 -4.170 -25.347 1.00 0.00 C ATOM 665 CG LYS A 44 10.566 -3.346 -24.265 1.00 0.00 C ATOM 666 CD LYS A 44 10.067 -2.034 -24.874 1.00 0.00 C ATOM 667 CE LYS A 44 11.250 -1.281 -25.486 1.00 0.00 C ATOM 668 NZ LYS A 44 11.038 0.191 -25.387 1.00 0.00 N ATOM 0 H LYS A 44 9.152 -5.462 -24.787 1.00 0.00 H new ATOM 0 HA LYS A 44 9.995 -3.776 -27.073 1.00 0.00 H new ATOM 0 HB2 LYS A 44 11.743 -5.047 -24.904 1.00 0.00 H new ATOM 0 HB3 LYS A 44 12.061 -3.582 -25.812 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.730 -3.909 -23.849 1.00 0.00 H new ATOM 0 HG3 LYS A 44 11.252 -3.141 -23.443 1.00 0.00 H new ATOM 0 HD2 LYS A 44 9.315 -2.236 -25.637 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.588 -1.423 -24.109 1.00 0.00 H new ATOM 0 HE2 LYS A 44 12.170 -1.557 -24.972 1.00 0.00 H new ATOM 0 HE3 LYS A 44 11.370 -1.568 -26.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 11.850 0.688 -25.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 10.170 0.452 -25.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 10.946 0.462 -24.387 1.00 0.00 H new ATOM 682 N ILE A 45 11.292 -5.403 -28.406 1.00 0.00 N ATOM 683 CA ILE A 45 11.885 -6.441 -29.288 1.00 0.00 C ATOM 684 C ILE A 45 12.956 -7.249 -28.564 1.00 0.00 C ATOM 685 O ILE A 45 13.788 -6.697 -27.871 1.00 0.00 O ATOM 686 CB ILE A 45 12.549 -5.734 -30.466 1.00 0.00 C ATOM 687 CG1 ILE A 45 11.633 -4.641 -30.999 1.00 0.00 C ATOM 688 CG2 ILE A 45 12.793 -6.766 -31.581 1.00 0.00 C ATOM 689 CD1 ILE A 45 12.220 -4.086 -32.301 1.00 0.00 C ATOM 0 H ILE A 45 11.284 -4.458 -28.789 1.00 0.00 H new ATOM 0 HA ILE A 45 11.093 -7.119 -29.606 1.00 0.00 H new ATOM 0 HB ILE A 45 13.489 -5.288 -30.142 1.00 0.00 H new ATOM 0 HG12 ILE A 45 10.635 -5.041 -31.177 1.00 0.00 H new ATOM 0 HG13 ILE A 45 11.531 -3.844 -30.263 1.00 0.00 H new ATOM 0 HG21 ILE A 45 13.268 -6.277 -32.432 1.00 0.00 H new ATOM 0 HG22 ILE A 45 13.443 -7.558 -31.208 1.00 0.00 H new ATOM 0 HG23 ILE A 45 11.841 -7.195 -31.894 1.00 0.00 H new ATOM 0 HD11 ILE A 45 11.569 -3.302 -32.689 1.00 0.00 H new ATOM 0 HD12 ILE A 45 13.210 -3.672 -32.107 1.00 0.00 H new ATOM 0 HD13 ILE A 45 12.300 -4.888 -33.035 1.00 0.00 H new ATOM 701 N HIS A 46 12.908 -8.550 -28.739 1.00 0.00 N ATOM 702 CA HIS A 46 13.913 -9.424 -28.079 1.00 0.00 C ATOM 703 C HIS A 46 14.441 -10.449 -29.078 1.00 0.00 C ATOM 704 O HIS A 46 13.770 -10.782 -30.036 1.00 0.00 O ATOM 705 CB HIS A 46 13.261 -10.143 -26.879 1.00 0.00 C ATOM 706 CG HIS A 46 12.079 -10.996 -27.344 1.00 0.00 C ATOM 707 ND1 HIS A 46 12.117 -12.230 -27.521 1.00 0.00 N ATOM 708 CD2 HIS A 46 10.774 -10.627 -27.606 1.00 0.00 C ATOM 709 CE1 HIS A 46 10.985 -12.685 -27.863 1.00 0.00 C ATOM 710 NE2 HIS A 46 10.059 -11.733 -27.943 1.00 0.00 N ATOM 0 H HIS A 46 12.216 -9.036 -29.309 1.00 0.00 H new ATOM 0 HA HIS A 46 14.745 -8.816 -27.724 1.00 0.00 H new ATOM 0 HB2 HIS A 46 13.998 -10.773 -26.381 1.00 0.00 H new ATOM 0 HB3 HIS A 46 12.922 -9.409 -26.148 1.00 0.00 H new ATOM 0 HD2 HIS A 46 10.384 -9.621 -27.552 1.00 0.00 H new ATOM 0 HE1 HIS A 46 10.793 -13.728 -28.067 1.00 0.00 H new ATOM 0 HE2 HIS A 46 9.073 -11.812 -28.192 1.00 0.00 H new ATOM 718 N GLU A 47 15.634 -10.932 -28.838 1.00 0.00 N ATOM 719 CA GLU A 47 16.225 -11.932 -29.769 1.00 0.00 C ATOM 720 C GLU A 47 16.083 -13.360 -29.252 1.00 0.00 C ATOM 721 O GLU A 47 17.061 -13.997 -28.918 1.00 0.00 O ATOM 722 CB GLU A 47 17.720 -11.615 -29.920 1.00 0.00 C ATOM 723 CG GLU A 47 17.887 -10.137 -30.279 1.00 0.00 C ATOM 724 CD GLU A 47 19.301 -9.905 -30.814 1.00 0.00 C ATOM 725 OE1 GLU A 47 19.939 -10.903 -31.106 1.00 0.00 O ATOM 726 OE2 GLU A 47 19.663 -8.743 -30.900 1.00 0.00 O ATOM 0 H GLU A 47 16.219 -10.677 -28.042 1.00 0.00 H new ATOM 0 HA GLU A 47 15.695 -11.868 -30.719 1.00 0.00 H new ATOM 0 HB2 GLU A 47 18.247 -11.838 -28.992 1.00 0.00 H new ATOM 0 HB3 GLU A 47 18.160 -12.242 -30.695 1.00 0.00 H new ATOM 0 HG2 GLU A 47 17.150 -9.847 -31.028 1.00 0.00 H new ATOM 0 HG3 GLU A 47 17.711 -9.515 -29.401 1.00 0.00 H new ATOM 733 N ASP A 48 14.874 -13.837 -29.195 1.00 0.00 N ATOM 734 CA ASP A 48 14.667 -15.219 -28.706 1.00 0.00 C ATOM 735 C ASP A 48 15.075 -16.212 -29.792 1.00 0.00 C ATOM 736 O ASP A 48 14.436 -16.302 -30.821 1.00 0.00 O ATOM 737 CB ASP A 48 13.175 -15.407 -28.386 1.00 0.00 C ATOM 738 CG ASP A 48 12.916 -16.866 -27.999 1.00 0.00 C ATOM 739 OD1 ASP A 48 13.889 -17.517 -27.658 1.00 0.00 O ATOM 740 OD2 ASP A 48 11.758 -17.246 -28.066 1.00 0.00 O ATOM 0 H ASP A 48 14.029 -13.333 -29.464 1.00 0.00 H new ATOM 0 HA ASP A 48 15.270 -15.391 -27.814 1.00 0.00 H new ATOM 0 HB2 ASP A 48 12.881 -14.746 -27.571 1.00 0.00 H new ATOM 0 HB3 ASP A 48 12.570 -15.136 -29.251 1.00 0.00 H new ATOM 745 N GLU A 49 16.142 -16.931 -29.539 1.00 0.00 N ATOM 746 CA GLU A 49 16.630 -17.932 -30.536 1.00 0.00 C ATOM 747 C GLU A 49 15.481 -18.603 -31.286 1.00 0.00 C ATOM 748 O GLU A 49 15.621 -18.974 -32.438 1.00 0.00 O ATOM 749 CB GLU A 49 17.415 -19.016 -29.783 1.00 0.00 C ATOM 750 CG GLU A 49 18.244 -19.827 -30.782 1.00 0.00 C ATOM 751 CD GLU A 49 19.595 -20.171 -30.156 1.00 0.00 C ATOM 752 OE1 GLU A 49 20.229 -19.237 -29.692 1.00 0.00 O ATOM 753 OE2 GLU A 49 19.919 -21.346 -30.178 1.00 0.00 O ATOM 0 H GLU A 49 16.695 -16.867 -28.685 1.00 0.00 H new ATOM 0 HA GLU A 49 17.251 -17.412 -31.265 1.00 0.00 H new ATOM 0 HB2 GLU A 49 18.067 -18.558 -29.039 1.00 0.00 H new ATOM 0 HB3 GLU A 49 16.729 -19.671 -29.246 1.00 0.00 H new ATOM 0 HG2 GLU A 49 17.714 -20.739 -31.056 1.00 0.00 H new ATOM 0 HG3 GLU A 49 18.390 -19.256 -31.699 1.00 0.00 H new ATOM 760 N LYS A 50 14.364 -18.735 -30.635 1.00 0.00 N ATOM 761 CA LYS A 50 13.215 -19.380 -31.313 1.00 0.00 C ATOM 762 C LYS A 50 12.487 -18.387 -32.193 1.00 0.00 C ATOM 763 O LYS A 50 12.339 -18.608 -33.376 1.00 0.00 O ATOM 764 CB LYS A 50 12.245 -19.911 -30.250 1.00 0.00 C ATOM 765 CG LYS A 50 12.926 -21.025 -29.453 1.00 0.00 C ATOM 766 CD LYS A 50 11.875 -21.751 -28.611 1.00 0.00 C ATOM 767 CE LYS A 50 11.489 -20.870 -27.422 1.00 0.00 C ATOM 768 NZ LYS A 50 10.808 -21.684 -26.375 1.00 0.00 N ATOM 0 H LYS A 50 14.199 -18.429 -29.676 1.00 0.00 H new ATOM 0 HA LYS A 50 13.585 -20.195 -31.935 1.00 0.00 H new ATOM 0 HB2 LYS A 50 11.942 -19.104 -29.583 1.00 0.00 H new ATOM 0 HB3 LYS A 50 11.340 -20.289 -30.724 1.00 0.00 H new ATOM 0 HG2 LYS A 50 13.416 -21.726 -30.129 1.00 0.00 H new ATOM 0 HG3 LYS A 50 13.701 -20.608 -28.810 1.00 0.00 H new ATOM 0 HD2 LYS A 50 10.996 -21.972 -29.216 1.00 0.00 H new ATOM 0 HD3 LYS A 50 12.268 -22.705 -28.260 1.00 0.00 H new ATOM 0 HE2 LYS A 50 12.379 -20.400 -27.005 1.00 0.00 H new ATOM 0 HE3 LYS A 50 10.830 -20.067 -27.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 10.551 -21.074 -25.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.948 -22.113 -26.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 11.449 -22.435 -26.047 1.00 0.00 H new ATOM 782 N LEU A 51 12.039 -17.306 -31.606 1.00 0.00 N ATOM 783 CA LEU A 51 11.322 -16.299 -32.417 1.00 0.00 C ATOM 784 C LEU A 51 12.072 -16.066 -33.714 1.00 0.00 C ATOM 785 O LEU A 51 11.489 -15.753 -34.728 1.00 0.00 O ATOM 786 CB LEU A 51 11.255 -14.985 -31.625 1.00 0.00 C ATOM 787 CG LEU A 51 10.308 -14.016 -32.335 1.00 0.00 C ATOM 788 CD1 LEU A 51 8.897 -14.612 -32.355 1.00 0.00 C ATOM 789 CD2 LEU A 51 10.280 -12.690 -31.571 1.00 0.00 C ATOM 0 H LEU A 51 12.140 -17.086 -30.615 1.00 0.00 H new ATOM 0 HA LEU A 51 10.315 -16.652 -32.642 1.00 0.00 H new ATOM 0 HB2 LEU A 51 10.905 -15.176 -30.610 1.00 0.00 H new ATOM 0 HB3 LEU A 51 12.249 -14.545 -31.542 1.00 0.00 H new ATOM 0 HG LEU A 51 10.652 -13.848 -33.356 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.219 -13.924 -32.860 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.911 -15.564 -32.886 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.555 -14.773 -31.332 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.606 -11.995 -32.073 1.00 0.00 H new ATOM 0 HD22 LEU A 51 9.930 -12.864 -30.553 1.00 0.00 H new ATOM 0 HD23 LEU A 51 11.284 -12.265 -31.542 1.00 0.00 H new ATOM 801 N LYS A 52 13.368 -16.233 -33.656 1.00 0.00 N ATOM 802 CA LYS A 52 14.177 -16.030 -34.874 1.00 0.00 C ATOM 803 C LYS A 52 13.987 -17.213 -35.810 1.00 0.00 C ATOM 804 O LYS A 52 13.813 -17.048 -37.005 1.00 0.00 O ATOM 805 CB LYS A 52 15.663 -15.938 -34.472 1.00 0.00 C ATOM 806 CG LYS A 52 15.860 -14.736 -33.543 1.00 0.00 C ATOM 807 CD LYS A 52 17.310 -14.711 -33.043 1.00 0.00 C ATOM 808 CE LYS A 52 18.247 -14.445 -34.225 1.00 0.00 C ATOM 809 NZ LYS A 52 19.428 -13.644 -33.788 1.00 0.00 N ATOM 0 H LYS A 52 13.890 -16.499 -32.821 1.00 0.00 H new ATOM 0 HA LYS A 52 13.866 -15.114 -35.377 1.00 0.00 H new ATOM 0 HB2 LYS A 52 15.974 -16.855 -33.971 1.00 0.00 H new ATOM 0 HB3 LYS A 52 16.286 -15.833 -35.360 1.00 0.00 H new ATOM 0 HG2 LYS A 52 15.630 -13.811 -34.073 1.00 0.00 H new ATOM 0 HG3 LYS A 52 15.174 -14.799 -32.699 1.00 0.00 H new ATOM 0 HD2 LYS A 52 17.432 -13.937 -32.285 1.00 0.00 H new ATOM 0 HD3 LYS A 52 17.561 -15.661 -32.572 1.00 0.00 H new ATOM 0 HE2 LYS A 52 18.580 -15.391 -34.652 1.00 0.00 H new ATOM 0 HE3 LYS A 52 17.710 -13.912 -35.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 20.052 -13.473 -34.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 19.106 -12.734 -33.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 19.950 -14.166 -33.055 1.00 0.00 H new ATOM 823 N CYS A 53 14.011 -18.395 -35.246 1.00 0.00 N ATOM 824 CA CYS A 53 13.834 -19.597 -36.081 1.00 0.00 C ATOM 825 C CYS A 53 12.376 -19.746 -36.462 1.00 0.00 C ATOM 826 O CYS A 53 12.052 -19.990 -37.606 1.00 0.00 O ATOM 827 CB CYS A 53 14.273 -20.829 -35.273 1.00 0.00 C ATOM 828 SG CYS A 53 14.172 -22.441 -36.091 1.00 0.00 S ATOM 0 H CYS A 53 14.145 -18.568 -34.250 1.00 0.00 H new ATOM 0 HA CYS A 53 14.434 -19.506 -36.986 1.00 0.00 H new ATOM 0 HB2 CYS A 53 15.305 -20.675 -34.958 1.00 0.00 H new ATOM 0 HB3 CYS A 53 13.667 -20.872 -34.368 1.00 0.00 H new ATOM 0 HG CYS A 53 14.579 -23.368 -35.275 1.00 0.00 H new ATOM 834 N TYR A 54 11.508 -19.594 -35.494 1.00 0.00 N ATOM 835 CA TYR A 54 10.076 -19.725 -35.805 1.00 0.00 C ATOM 836 C TYR A 54 9.755 -18.881 -37.020 1.00 0.00 C ATOM 837 O TYR A 54 9.093 -19.331 -37.934 1.00 0.00 O ATOM 838 CB TYR A 54 9.255 -19.232 -34.603 1.00 0.00 C ATOM 839 CG TYR A 54 7.848 -18.843 -35.068 1.00 0.00 C ATOM 840 CD1 TYR A 54 6.936 -19.807 -35.455 1.00 0.00 C ATOM 841 CD2 TYR A 54 7.472 -17.522 -35.107 1.00 0.00 C ATOM 842 CE1 TYR A 54 5.669 -19.443 -35.874 1.00 0.00 C ATOM 843 CE2 TYR A 54 6.210 -17.161 -35.526 1.00 0.00 C ATOM 844 CZ TYR A 54 5.300 -18.119 -35.912 1.00 0.00 C ATOM 845 OH TYR A 54 4.036 -17.756 -36.332 1.00 0.00 O ATOM 0 H TYR A 54 11.735 -19.388 -34.521 1.00 0.00 H new ATOM 0 HA TYR A 54 9.831 -20.767 -36.011 1.00 0.00 H new ATOM 0 HB2 TYR A 54 9.196 -20.013 -33.845 1.00 0.00 H new ATOM 0 HB3 TYR A 54 9.746 -18.376 -34.141 1.00 0.00 H new ATOM 0 HD1 TYR A 54 7.214 -20.850 -35.430 1.00 0.00 H new ATOM 0 HD2 TYR A 54 8.174 -16.758 -34.806 1.00 0.00 H new ATOM 0 HE1 TYR A 54 4.964 -20.205 -36.174 1.00 0.00 H new ATOM 0 HE2 TYR A 54 5.932 -16.118 -35.552 1.00 0.00 H new ATOM 0 HH TYR A 54 3.946 -16.781 -36.295 1.00 0.00 H new ATOM 855 N MET A 55 10.227 -17.654 -37.019 1.00 0.00 N ATOM 856 CA MET A 55 9.948 -16.790 -38.179 1.00 0.00 C ATOM 857 C MET A 55 10.418 -17.513 -39.418 1.00 0.00 C ATOM 858 O MET A 55 9.658 -17.742 -40.338 1.00 0.00 O ATOM 859 CB MET A 55 10.730 -15.475 -38.028 1.00 0.00 C ATOM 860 CG MET A 55 9.811 -14.420 -37.413 1.00 0.00 C ATOM 861 SD MET A 55 9.240 -14.702 -35.723 1.00 0.00 S ATOM 862 CE MET A 55 9.274 -12.982 -35.169 1.00 0.00 C ATOM 0 H MET A 55 10.781 -17.233 -36.274 1.00 0.00 H new ATOM 0 HA MET A 55 8.883 -16.568 -38.247 1.00 0.00 H new ATOM 0 HB2 MET A 55 11.605 -15.627 -37.396 1.00 0.00 H new ATOM 0 HB3 MET A 55 11.093 -15.139 -38.999 1.00 0.00 H new ATOM 0 HG2 MET A 55 10.332 -13.463 -37.438 1.00 0.00 H new ATOM 0 HG3 MET A 55 8.934 -14.322 -38.053 1.00 0.00 H new ATOM 0 HE1 MET A 55 9.410 -12.951 -34.088 1.00 0.00 H new ATOM 0 HE2 MET A 55 10.099 -12.460 -35.654 1.00 0.00 H new ATOM 0 HE3 MET A 55 8.333 -12.497 -35.430 1.00 0.00 H new ATOM 872 N ASN A 56 11.679 -17.864 -39.422 1.00 0.00 N ATOM 873 CA ASN A 56 12.222 -18.580 -40.589 1.00 0.00 C ATOM 874 C ASN A 56 11.285 -19.730 -40.941 1.00 0.00 C ATOM 875 O ASN A 56 10.921 -19.927 -42.091 1.00 0.00 O ATOM 876 CB ASN A 56 13.612 -19.149 -40.208 1.00 0.00 C ATOM 877 CG ASN A 56 13.809 -20.530 -40.852 1.00 0.00 C ATOM 878 OD1 ASN A 56 13.916 -21.533 -40.175 1.00 0.00 O ATOM 879 ND2 ASN A 56 13.862 -20.621 -42.153 1.00 0.00 N ATOM 0 H ASN A 56 12.342 -17.683 -38.669 1.00 0.00 H new ATOM 0 HA ASN A 56 12.313 -17.908 -41.443 1.00 0.00 H new ATOM 0 HB2 ASN A 56 14.396 -18.469 -40.540 1.00 0.00 H new ATOM 0 HB3 ASN A 56 13.697 -19.229 -39.124 1.00 0.00 H new ATOM 0 HD21 ASN A 56 13.993 -21.531 -42.596 1.00 0.00 H new ATOM 0 HD22 ASN A 56 13.773 -19.783 -42.727 1.00 0.00 H new ATOM 886 N CYS A 57 10.908 -20.472 -39.929 1.00 0.00 N ATOM 887 CA CYS A 57 9.999 -21.613 -40.155 1.00 0.00 C ATOM 888 C CYS A 57 8.718 -21.136 -40.815 1.00 0.00 C ATOM 889 O CYS A 57 8.081 -21.863 -41.552 1.00 0.00 O ATOM 890 CB CYS A 57 9.654 -22.231 -38.791 1.00 0.00 C ATOM 891 SG CYS A 57 9.235 -23.991 -38.757 1.00 0.00 S ATOM 0 H CYS A 57 11.196 -20.329 -38.961 1.00 0.00 H new ATOM 0 HA CYS A 57 10.483 -22.345 -40.802 1.00 0.00 H new ATOM 0 HB2 CYS A 57 10.503 -22.074 -38.126 1.00 0.00 H new ATOM 0 HB3 CYS A 57 8.814 -21.677 -38.373 1.00 0.00 H new ATOM 0 HG CYS A 57 8.599 -24.307 -39.846 1.00 0.00 H new ATOM 897 N LEU A 58 8.361 -19.912 -40.533 1.00 0.00 N ATOM 898 CA LEU A 58 7.128 -19.358 -41.128 1.00 0.00 C ATOM 899 C LEU A 58 7.326 -19.112 -42.615 1.00 0.00 C ATOM 900 O LEU A 58 6.473 -19.432 -43.420 1.00 0.00 O ATOM 901 CB LEU A 58 6.818 -18.019 -40.441 1.00 0.00 C ATOM 902 CG LEU A 58 5.306 -17.896 -40.237 1.00 0.00 C ATOM 903 CD1 LEU A 58 4.607 -17.974 -41.596 1.00 0.00 C ATOM 904 CD2 LEU A 58 4.822 -19.047 -39.351 1.00 0.00 C ATOM 0 H LEU A 58 8.873 -19.280 -39.918 1.00 0.00 H new ATOM 0 HA LEU A 58 6.309 -20.064 -40.990 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.332 -17.961 -39.482 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.183 -17.191 -41.049 1.00 0.00 H new ATOM 0 HG LEU A 58 5.074 -16.944 -39.760 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.529 -17.887 -41.456 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.957 -17.161 -42.233 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.836 -18.929 -42.068 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.745 -18.964 -39.203 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.050 -19.998 -39.833 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.326 -19.000 -38.386 1.00 0.00 H new ATOM 916 N PHE A 59 8.455 -18.546 -42.955 1.00 0.00 N ATOM 917 CA PHE A 59 8.727 -18.272 -44.384 1.00 0.00 C ATOM 918 C PHE A 59 8.487 -19.525 -45.214 1.00 0.00 C ATOM 919 O PHE A 59 7.834 -19.484 -46.238 1.00 0.00 O ATOM 920 CB PHE A 59 10.206 -17.868 -44.535 1.00 0.00 C ATOM 921 CG PHE A 59 10.454 -16.467 -43.938 1.00 0.00 C ATOM 922 CD1 PHE A 59 9.501 -15.835 -43.143 1.00 0.00 C ATOM 923 CD2 PHE A 59 11.655 -15.816 -44.182 1.00 0.00 C ATOM 924 CE1 PHE A 59 9.755 -14.585 -42.612 1.00 0.00 C ATOM 925 CE2 PHE A 59 11.897 -14.570 -43.648 1.00 0.00 C ATOM 926 CZ PHE A 59 10.951 -13.957 -42.865 1.00 0.00 C ATOM 0 H PHE A 59 9.191 -18.266 -42.306 1.00 0.00 H new ATOM 0 HA PHE A 59 8.067 -17.476 -44.728 1.00 0.00 H new ATOM 0 HB2 PHE A 59 10.841 -18.599 -44.034 1.00 0.00 H new ATOM 0 HB3 PHE A 59 10.484 -17.874 -45.589 1.00 0.00 H new ATOM 0 HD1 PHE A 59 8.560 -16.324 -42.941 1.00 0.00 H new ATOM 0 HD2 PHE A 59 12.406 -16.291 -44.796 1.00 0.00 H new ATOM 0 HE1 PHE A 59 9.012 -14.100 -41.996 1.00 0.00 H new ATOM 0 HE2 PHE A 59 12.835 -14.073 -43.846 1.00 0.00 H new ATOM 0 HZ PHE A 59 11.147 -12.980 -42.447 1.00 0.00 H new ATOM 936 N HIS A 60 9.026 -20.624 -44.754 1.00 0.00 N ATOM 937 CA HIS A 60 8.841 -21.895 -45.503 1.00 0.00 C ATOM 938 C HIS A 60 7.363 -22.268 -45.593 1.00 0.00 C ATOM 939 O HIS A 60 6.797 -22.316 -46.667 1.00 0.00 O ATOM 940 CB HIS A 60 9.585 -23.012 -44.755 1.00 0.00 C ATOM 941 CG HIS A 60 11.072 -22.956 -45.111 1.00 0.00 C ATOM 942 ND1 HIS A 60 11.603 -23.570 -46.060 1.00 0.00 N ATOM 943 CD2 HIS A 60 12.098 -22.258 -44.503 1.00 0.00 C ATOM 944 CE1 HIS A 60 12.848 -23.342 -46.123 1.00 0.00 C ATOM 945 NE2 HIS A 60 13.261 -22.511 -45.165 1.00 0.00 N ATOM 0 H HIS A 60 9.580 -20.694 -43.901 1.00 0.00 H new ATOM 0 HA HIS A 60 9.231 -21.769 -46.513 1.00 0.00 H new ATOM 0 HB2 HIS A 60 9.452 -22.896 -43.679 1.00 0.00 H new ATOM 0 HB3 HIS A 60 9.171 -23.984 -45.024 1.00 0.00 H new ATOM 0 HD1 HIS A 60 11.098 -24.179 -46.704 1.00 0.00 H new ATOM 0 HD2 HIS A 60 11.994 -21.615 -43.641 1.00 0.00 H new ATOM 0 HE1 HIS A 60 13.501 -23.772 -46.868 1.00 0.00 H new ATOM 953 N GLU A 61 6.766 -22.523 -44.460 1.00 0.00 N ATOM 954 CA GLU A 61 5.325 -22.896 -44.454 1.00 0.00 C ATOM 955 C GLU A 61 4.518 -21.994 -45.378 1.00 0.00 C ATOM 956 O GLU A 61 3.852 -22.462 -46.281 1.00 0.00 O ATOM 957 CB GLU A 61 4.795 -22.730 -43.024 1.00 0.00 C ATOM 958 CG GLU A 61 5.022 -24.029 -42.254 1.00 0.00 C ATOM 959 CD GLU A 61 6.509 -24.389 -42.303 1.00 0.00 C ATOM 960 OE1 GLU A 61 6.957 -24.688 -43.397 1.00 0.00 O ATOM 961 OE2 GLU A 61 7.113 -24.343 -41.244 1.00 0.00 O ATOM 0 H GLU A 61 7.212 -22.489 -43.543 1.00 0.00 H new ATOM 0 HA GLU A 61 5.225 -23.924 -44.801 1.00 0.00 H new ATOM 0 HB2 GLU A 61 5.305 -21.904 -42.527 1.00 0.00 H new ATOM 0 HB3 GLU A 61 3.733 -22.484 -43.042 1.00 0.00 H new ATOM 0 HG2 GLU A 61 4.697 -23.914 -41.220 1.00 0.00 H new ATOM 0 HG3 GLU A 61 4.426 -24.832 -42.688 1.00 0.00 H new ATOM 968 N ALA A 62 4.586 -20.716 -45.133 1.00 0.00 N ATOM 969 CA ALA A 62 3.828 -19.766 -45.986 1.00 0.00 C ATOM 970 C ALA A 62 4.064 -20.053 -47.466 1.00 0.00 C ATOM 971 O ALA A 62 3.248 -19.715 -48.302 1.00 0.00 O ATOM 972 CB ALA A 62 4.315 -18.344 -45.674 1.00 0.00 C ATOM 0 H ALA A 62 5.131 -20.292 -44.383 1.00 0.00 H new ATOM 0 HA ALA A 62 2.763 -19.873 -45.778 1.00 0.00 H new ATOM 0 HB1 ALA A 62 3.770 -17.629 -46.291 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.140 -18.122 -44.621 1.00 0.00 H new ATOM 0 HB3 ALA A 62 5.381 -18.269 -45.888 1.00 0.00 H new ATOM 978 N LYS A 63 5.174 -20.671 -47.765 1.00 0.00 N ATOM 979 CA LYS A 63 5.472 -20.984 -49.184 1.00 0.00 C ATOM 980 C LYS A 63 5.782 -19.715 -49.965 1.00 0.00 C ATOM 981 O LYS A 63 6.231 -19.769 -51.093 1.00 0.00 O ATOM 982 CB LYS A 63 4.237 -21.658 -49.800 1.00 0.00 C ATOM 983 CG LYS A 63 4.684 -22.870 -50.622 1.00 0.00 C ATOM 984 CD LYS A 63 3.461 -23.511 -51.282 1.00 0.00 C ATOM 985 CE LYS A 63 3.220 -22.850 -52.641 1.00 0.00 C ATOM 986 NZ LYS A 63 2.141 -23.561 -53.382 1.00 0.00 N ATOM 0 H LYS A 63 5.880 -20.969 -47.092 1.00 0.00 H new ATOM 0 HA LYS A 63 6.341 -21.641 -49.230 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.548 -21.970 -49.015 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.700 -20.952 -50.433 1.00 0.00 H new ATOM 0 HG2 LYS A 63 5.403 -22.564 -51.382 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.187 -23.594 -49.981 1.00 0.00 H new ATOM 0 HD2 LYS A 63 3.620 -24.582 -51.408 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.584 -23.392 -50.645 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.945 -21.805 -52.500 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.140 -22.861 -53.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.990 -23.100 -54.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.418 -24.552 -53.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.261 -23.528 -52.829 1.00 0.00 H new ATOM 1000 N VAL A 64 5.537 -18.590 -49.350 1.00 0.00 N ATOM 1001 CA VAL A 64 5.811 -17.307 -50.042 1.00 0.00 C ATOM 1002 C VAL A 64 7.266 -17.230 -50.488 1.00 0.00 C ATOM 1003 O VAL A 64 7.683 -16.258 -51.084 1.00 0.00 O ATOM 1004 CB VAL A 64 5.535 -16.159 -49.058 1.00 0.00 C ATOM 1005 CG1 VAL A 64 4.069 -16.207 -48.625 1.00 0.00 C ATOM 1006 CG2 VAL A 64 6.428 -16.325 -47.827 1.00 0.00 C ATOM 0 H VAL A 64 5.162 -18.508 -48.405 1.00 0.00 H new ATOM 0 HA VAL A 64 5.172 -17.234 -50.922 1.00 0.00 H new ATOM 0 HB VAL A 64 5.745 -15.204 -49.540 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.869 -15.394 -47.927 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.428 -16.100 -49.500 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.864 -17.161 -48.139 1.00 0.00 H new ATOM 0 HG21 VAL A 64 6.236 -15.513 -47.126 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.211 -17.279 -47.346 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.475 -16.302 -48.131 1.00 0.00 H new ATOM 1016 N VAL A 65 8.016 -18.258 -50.191 1.00 0.00 N ATOM 1017 CA VAL A 65 9.445 -18.256 -50.592 1.00 0.00 C ATOM 1018 C VAL A 65 9.627 -18.882 -51.964 1.00 0.00 C ATOM 1019 O VAL A 65 8.699 -19.417 -52.536 1.00 0.00 O ATOM 1020 CB VAL A 65 10.241 -19.079 -49.572 1.00 0.00 C ATOM 1021 CG1 VAL A 65 10.165 -18.400 -48.204 1.00 0.00 C ATOM 1022 CG2 VAL A 65 9.640 -20.483 -49.473 1.00 0.00 C ATOM 0 H VAL A 65 7.701 -19.090 -49.692 1.00 0.00 H new ATOM 0 HA VAL A 65 9.797 -17.225 -50.627 1.00 0.00 H new ATOM 0 HB VAL A 65 11.281 -19.148 -49.890 1.00 0.00 H new ATOM 0 HG11 VAL A 65 10.730 -18.983 -47.477 1.00 0.00 H new ATOM 0 HG12 VAL A 65 10.587 -17.397 -48.272 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.124 -18.335 -47.887 1.00 0.00 H new ATOM 0 HG21 VAL A 65 10.204 -21.070 -48.748 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.601 -20.412 -49.152 1.00 0.00 H new ATOM 0 HG23 VAL A 65 9.686 -20.968 -50.448 1.00 0.00 H new ATOM 1032 N ASP A 66 10.826 -18.804 -52.471 1.00 0.00 N ATOM 1033 CA ASP A 66 11.089 -19.390 -53.805 1.00 0.00 C ATOM 1034 C ASP A 66 11.219 -20.901 -53.706 1.00 0.00 C ATOM 1035 O ASP A 66 10.372 -21.561 -53.134 1.00 0.00 O ATOM 1036 CB ASP A 66 12.411 -18.814 -54.340 1.00 0.00 C ATOM 1037 CG ASP A 66 12.599 -19.252 -55.795 1.00 0.00 C ATOM 1038 OD1 ASP A 66 11.639 -19.100 -56.535 1.00 0.00 O ATOM 1039 OD2 ASP A 66 13.691 -19.712 -56.086 1.00 0.00 O ATOM 0 H ASP A 66 11.627 -18.362 -52.020 1.00 0.00 H new ATOM 0 HA ASP A 66 10.261 -19.148 -54.472 1.00 0.00 H new ATOM 0 HB2 ASP A 66 12.401 -17.726 -54.274 1.00 0.00 H new ATOM 0 HB3 ASP A 66 13.246 -19.163 -53.732 1.00 0.00 H new ATOM 1044 N ASP A 67 12.282 -21.419 -54.266 1.00 0.00 N ATOM 1045 CA ASP A 67 12.501 -22.890 -54.225 1.00 0.00 C ATOM 1046 C ASP A 67 13.659 -23.235 -53.305 1.00 0.00 C ATOM 1047 O ASP A 67 14.295 -24.255 -53.469 1.00 0.00 O ATOM 1048 CB ASP A 67 12.850 -23.366 -55.643 1.00 0.00 C ATOM 1049 CG ASP A 67 11.949 -22.655 -56.655 1.00 0.00 C ATOM 1050 OD1 ASP A 67 10.750 -22.701 -56.436 1.00 0.00 O ATOM 1051 OD2 ASP A 67 12.510 -22.109 -57.590 1.00 0.00 O ATOM 0 H ASP A 67 13.005 -20.885 -54.748 1.00 0.00 H new ATOM 0 HA ASP A 67 11.597 -23.374 -53.855 1.00 0.00 H new ATOM 0 HB2 ASP A 67 13.897 -23.156 -55.861 1.00 0.00 H new ATOM 0 HB3 ASP A 67 12.719 -24.445 -55.719 1.00 0.00 H new ATOM 1056 N ASN A 68 13.909 -22.382 -52.342 1.00 0.00 N ATOM 1057 CA ASN A 68 15.028 -22.657 -51.408 1.00 0.00 C ATOM 1058 C ASN A 68 14.866 -21.897 -50.096 1.00 0.00 C ATOM 1059 O ASN A 68 15.547 -22.184 -49.132 1.00 0.00 O ATOM 1060 CB ASN A 68 16.331 -22.198 -52.077 1.00 0.00 C ATOM 1061 CG ASN A 68 16.599 -23.066 -53.305 1.00 0.00 C ATOM 1062 OD1 ASN A 68 16.401 -22.650 -54.429 1.00 0.00 O ATOM 1063 ND2 ASN A 68 17.047 -24.280 -53.136 1.00 0.00 N ATOM 0 H ASN A 68 13.391 -21.521 -52.169 1.00 0.00 H new ATOM 0 HA ASN A 68 15.041 -23.724 -51.185 1.00 0.00 H new ATOM 0 HB2 ASN A 68 16.255 -21.150 -52.367 1.00 0.00 H new ATOM 0 HB3 ASN A 68 17.161 -22.275 -51.375 1.00 0.00 H new ATOM 0 HD21 ASN A 68 17.229 -24.874 -53.945 1.00 0.00 H new ATOM 0 HD22 ASN A 68 17.215 -24.635 -52.195 1.00 0.00 H new ATOM 1070 N GLY A 69 13.967 -20.936 -50.083 1.00 0.00 N ATOM 1071 CA GLY A 69 13.751 -20.145 -48.829 1.00 0.00 C ATOM 1072 C GLY A 69 14.266 -18.714 -49.010 1.00 0.00 C ATOM 1073 O GLY A 69 14.854 -18.147 -48.108 1.00 0.00 O ATOM 0 H GLY A 69 13.382 -20.670 -50.875 1.00 0.00 H new ATOM 0 HA2 GLY A 69 12.690 -20.128 -48.579 1.00 0.00 H new ATOM 0 HA3 GLY A 69 14.267 -20.622 -47.996 1.00 0.00 H new ATOM 1077 N ASP A 70 14.037 -18.156 -50.174 1.00 0.00 N ATOM 1078 CA ASP A 70 14.509 -16.767 -50.422 1.00 0.00 C ATOM 1079 C ASP A 70 13.419 -15.760 -50.113 1.00 0.00 C ATOM 1080 O ASP A 70 13.499 -14.619 -50.520 1.00 0.00 O ATOM 1081 CB ASP A 70 14.897 -16.636 -51.899 1.00 0.00 C ATOM 1082 CG ASP A 70 15.863 -15.458 -52.059 1.00 0.00 C ATOM 1083 OD1 ASP A 70 16.988 -15.617 -51.613 1.00 0.00 O ATOM 1084 OD2 ASP A 70 15.421 -14.466 -52.615 1.00 0.00 O ATOM 0 H ASP A 70 13.549 -18.600 -50.952 1.00 0.00 H new ATOM 0 HA ASP A 70 15.363 -16.567 -49.775 1.00 0.00 H new ATOM 0 HB2 ASP A 70 15.365 -17.556 -52.248 1.00 0.00 H new ATOM 0 HB3 ASP A 70 14.008 -16.479 -52.509 1.00 0.00 H new ATOM 1089 N VAL A 71 12.423 -16.208 -49.391 1.00 0.00 N ATOM 1090 CA VAL A 71 11.291 -15.314 -49.020 1.00 0.00 C ATOM 1091 C VAL A 71 11.005 -14.267 -50.102 1.00 0.00 C ATOM 1092 O VAL A 71 11.395 -13.124 -49.988 1.00 0.00 O ATOM 1093 CB VAL A 71 11.640 -14.601 -47.689 1.00 0.00 C ATOM 1094 CG1 VAL A 71 13.089 -14.088 -47.727 1.00 0.00 C ATOM 1095 CG2 VAL A 71 10.694 -13.413 -47.482 1.00 0.00 C ATOM 0 H VAL A 71 12.348 -17.163 -49.041 1.00 0.00 H new ATOM 0 HA VAL A 71 10.394 -15.924 -48.912 1.00 0.00 H new ATOM 0 HB VAL A 71 11.531 -15.311 -46.869 1.00 0.00 H new ATOM 0 HG11 VAL A 71 13.323 -13.589 -46.787 1.00 0.00 H new ATOM 0 HG12 VAL A 71 13.769 -14.928 -47.871 1.00 0.00 H new ATOM 0 HG13 VAL A 71 13.204 -13.383 -48.550 1.00 0.00 H new ATOM 0 HG21 VAL A 71 10.939 -12.911 -46.546 1.00 0.00 H new ATOM 0 HG22 VAL A 71 10.804 -12.712 -48.309 1.00 0.00 H new ATOM 0 HG23 VAL A 71 9.665 -13.770 -47.444 1.00 0.00 H new ATOM 1105 N HIS A 72 10.327 -14.682 -51.135 1.00 0.00 N ATOM 1106 CA HIS A 72 10.010 -13.726 -52.225 1.00 0.00 C ATOM 1107 C HIS A 72 8.926 -12.750 -51.772 1.00 0.00 C ATOM 1108 O HIS A 72 8.044 -13.108 -51.019 1.00 0.00 O ATOM 1109 CB HIS A 72 9.495 -14.524 -53.434 1.00 0.00 C ATOM 1110 CG HIS A 72 10.661 -14.805 -54.386 1.00 0.00 C ATOM 1111 ND1 HIS A 72 10.558 -14.926 -55.625 1.00 0.00 N ATOM 1112 CD2 HIS A 72 12.003 -14.981 -54.109 1.00 0.00 C ATOM 1113 CE1 HIS A 72 11.682 -15.159 -56.163 1.00 0.00 C ATOM 1114 NE2 HIS A 72 12.672 -15.212 -55.272 1.00 0.00 N ATOM 0 H HIS A 72 9.983 -15.633 -51.269 1.00 0.00 H new ATOM 0 HA HIS A 72 10.905 -13.162 -52.488 1.00 0.00 H new ATOM 0 HB2 HIS A 72 9.047 -15.461 -53.102 1.00 0.00 H new ATOM 0 HB3 HIS A 72 8.716 -13.963 -53.950 1.00 0.00 H new ATOM 0 HD2 HIS A 72 12.450 -14.942 -53.127 1.00 0.00 H new ATOM 0 HE1 HIS A 72 11.822 -15.299 -57.225 1.00 0.00 H new ATOM 0 HE2 HIS A 72 13.667 -15.381 -55.422 1.00 0.00 H new ATOM 1122 N LEU A 73 9.010 -11.531 -52.239 1.00 0.00 N ATOM 1123 CA LEU A 73 7.989 -10.523 -51.839 1.00 0.00 C ATOM 1124 C LEU A 73 6.803 -10.522 -52.800 1.00 0.00 C ATOM 1125 O LEU A 73 5.782 -9.919 -52.530 1.00 0.00 O ATOM 1126 CB LEU A 73 8.648 -9.135 -51.878 1.00 0.00 C ATOM 1127 CG LEU A 73 9.529 -8.956 -50.637 1.00 0.00 C ATOM 1128 CD1 LEU A 73 8.639 -8.729 -49.412 1.00 0.00 C ATOM 1129 CD2 LEU A 73 10.368 -10.218 -50.421 1.00 0.00 C ATOM 0 H LEU A 73 9.734 -11.194 -52.873 1.00 0.00 H new ATOM 0 HA LEU A 73 7.625 -10.768 -50.841 1.00 0.00 H new ATOM 0 HB2 LEU A 73 9.248 -9.030 -52.782 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.884 -8.358 -51.911 1.00 0.00 H new ATOM 0 HG LEU A 73 10.187 -8.098 -50.779 1.00 0.00 H new ATOM 0 HD11 LEU A 73 9.263 -8.601 -48.527 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.035 -7.834 -49.562 1.00 0.00 H new ATOM 0 HD13 LEU A 73 7.985 -9.590 -49.273 1.00 0.00 H new ATOM 0 HD21 LEU A 73 10.995 -10.091 -49.538 1.00 0.00 H new ATOM 0 HD22 LEU A 73 9.708 -11.074 -50.278 1.00 0.00 H new ATOM 0 HD23 LEU A 73 10.999 -10.389 -51.293 1.00 0.00 H new ATOM 1141 N GLU A 74 6.956 -11.200 -53.903 1.00 0.00 N ATOM 1142 CA GLU A 74 5.846 -11.247 -54.891 1.00 0.00 C ATOM 1143 C GLU A 74 4.628 -11.978 -54.328 1.00 0.00 C ATOM 1144 O GLU A 74 3.540 -11.435 -54.286 1.00 0.00 O ATOM 1145 CB GLU A 74 6.338 -12.005 -56.134 1.00 0.00 C ATOM 1146 CG GLU A 74 7.380 -11.156 -56.864 1.00 0.00 C ATOM 1147 CD GLU A 74 8.061 -12.008 -57.940 1.00 0.00 C ATOM 1148 OE1 GLU A 74 7.508 -12.051 -59.027 1.00 0.00 O ATOM 1149 OE2 GLU A 74 9.095 -12.568 -57.614 1.00 0.00 O ATOM 0 H GLU A 74 7.795 -11.719 -54.161 1.00 0.00 H new ATOM 0 HA GLU A 74 5.553 -10.226 -55.135 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.771 -12.962 -55.843 1.00 0.00 H new ATOM 0 HB3 GLU A 74 5.500 -12.223 -56.797 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.904 -10.287 -57.319 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.121 -10.781 -56.158 1.00 0.00 H new ATOM 1156 N LYS A 75 4.831 -13.194 -53.903 1.00 0.00 N ATOM 1157 CA LYS A 75 3.696 -13.966 -53.345 1.00 0.00 C ATOM 1158 C LYS A 75 3.374 -13.520 -51.928 1.00 0.00 C ATOM 1159 O LYS A 75 2.297 -13.776 -51.425 1.00 0.00 O ATOM 1160 CB LYS A 75 4.087 -15.453 -53.324 1.00 0.00 C ATOM 1161 CG LYS A 75 2.859 -16.298 -53.671 1.00 0.00 C ATOM 1162 CD LYS A 75 3.294 -17.747 -53.905 1.00 0.00 C ATOM 1163 CE LYS A 75 2.140 -18.681 -53.537 1.00 0.00 C ATOM 1164 NZ LYS A 75 1.761 -18.505 -52.107 1.00 0.00 N ATOM 0 H LYS A 75 5.728 -13.680 -53.919 1.00 0.00 H new ATOM 0 HA LYS A 75 2.815 -13.800 -53.965 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.888 -15.642 -54.039 1.00 0.00 H new ATOM 0 HB3 LYS A 75 4.467 -15.728 -52.340 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.130 -16.251 -52.862 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.372 -15.904 -54.563 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.577 -17.891 -54.948 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.172 -17.978 -53.302 1.00 0.00 H new ATOM 0 HE2 LYS A 75 1.280 -18.475 -54.175 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.430 -19.716 -53.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 1.407 -19.407 -51.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.594 -18.203 -51.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 1.017 -17.782 -52.031 1.00 0.00 H new ATOM 1178 N LEU A 76 4.308 -12.859 -51.307 1.00 0.00 N ATOM 1179 CA LEU A 76 4.064 -12.393 -49.924 1.00 0.00 C ATOM 1180 C LEU A 76 2.946 -11.360 -49.897 1.00 0.00 C ATOM 1181 O LEU A 76 1.994 -11.490 -49.154 1.00 0.00 O ATOM 1182 CB LEU A 76 5.354 -11.749 -49.396 1.00 0.00 C ATOM 1183 CG LEU A 76 5.374 -11.833 -47.865 1.00 0.00 C ATOM 1184 CD1 LEU A 76 6.813 -11.677 -47.373 1.00 0.00 C ATOM 1185 CD2 LEU A 76 4.519 -10.705 -47.285 1.00 0.00 C ATOM 0 H LEU A 76 5.221 -12.625 -51.696 1.00 0.00 H new ATOM 0 HA LEU A 76 3.771 -13.240 -49.304 1.00 0.00 H new ATOM 0 HB2 LEU A 76 6.224 -12.258 -49.811 1.00 0.00 H new ATOM 0 HB3 LEU A 76 5.411 -10.708 -49.715 1.00 0.00 H new ATOM 0 HG LEU A 76 4.976 -12.796 -47.545 1.00 0.00 H new ATOM 0 HD11 LEU A 76 6.834 -11.736 -46.285 1.00 0.00 H new ATOM 0 HD12 LEU A 76 7.429 -12.473 -47.791 1.00 0.00 H new ATOM 0 HD13 LEU A 76 7.204 -10.711 -47.692 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.531 -10.762 -46.197 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.922 -9.743 -47.603 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.494 -10.805 -47.642 1.00 0.00 H new ATOM 1197 N ARG A 77 3.081 -10.350 -50.713 1.00 0.00 N ATOM 1198 CA ARG A 77 2.036 -9.300 -50.748 1.00 0.00 C ATOM 1199 C ARG A 77 0.776 -9.817 -51.432 1.00 0.00 C ATOM 1200 O ARG A 77 -0.325 -9.580 -50.972 1.00 0.00 O ATOM 1201 CB ARG A 77 2.579 -8.107 -51.549 1.00 0.00 C ATOM 1202 CG ARG A 77 3.681 -7.419 -50.741 1.00 0.00 C ATOM 1203 CD ARG A 77 3.058 -6.725 -49.526 1.00 0.00 C ATOM 1204 NE ARG A 77 3.262 -7.581 -48.322 1.00 0.00 N ATOM 1205 CZ ARG A 77 2.554 -7.357 -47.248 1.00 0.00 C ATOM 1206 NH1 ARG A 77 1.358 -6.849 -47.373 1.00 0.00 N ATOM 1207 NH2 ARG A 77 3.066 -7.649 -46.082 1.00 0.00 N ATOM 0 H ARG A 77 3.865 -10.211 -51.351 1.00 0.00 H new ATOM 0 HA ARG A 77 1.786 -9.008 -49.728 1.00 0.00 H new ATOM 0 HB2 ARG A 77 2.972 -8.446 -52.508 1.00 0.00 H new ATOM 0 HB3 ARG A 77 1.776 -7.402 -51.765 1.00 0.00 H new ATOM 0 HG2 ARG A 77 4.421 -8.151 -50.417 1.00 0.00 H new ATOM 0 HG3 ARG A 77 4.203 -6.691 -51.362 1.00 0.00 H new ATOM 0 HD2 ARG A 77 3.516 -5.747 -49.375 1.00 0.00 H new ATOM 0 HD3 ARG A 77 1.994 -6.557 -49.693 1.00 0.00 H new ATOM 0 HE ARG A 77 3.949 -8.335 -48.337 1.00 0.00 H new ATOM 0 HH11 ARG A 77 0.990 -6.633 -48.299 1.00 0.00 H new ATOM 0 HH12 ARG A 77 0.792 -6.668 -46.544 1.00 0.00 H new ATOM 0 HH21 ARG A 77 4.004 -8.045 -46.022 1.00 0.00 H new ATOM 0 HH22 ARG A 77 2.528 -7.481 -45.232 1.00 0.00 H new ATOM 1221 N ASP A 78 0.957 -10.516 -52.517 1.00 0.00 N ATOM 1222 CA ASP A 78 -0.221 -11.054 -53.237 1.00 0.00 C ATOM 1223 C ASP A 78 -1.110 -11.854 -52.295 1.00 0.00 C ATOM 1224 O ASP A 78 -2.312 -11.898 -52.460 1.00 0.00 O ATOM 1225 CB ASP A 78 0.277 -11.976 -54.359 1.00 0.00 C ATOM 1226 CG ASP A 78 -0.893 -12.334 -55.274 1.00 0.00 C ATOM 1227 OD1 ASP A 78 -1.477 -11.399 -55.798 1.00 0.00 O ATOM 1228 OD2 ASP A 78 -1.139 -13.522 -55.399 1.00 0.00 O ATOM 0 H ASP A 78 1.863 -10.735 -52.931 1.00 0.00 H new ATOM 0 HA ASP A 78 -0.802 -10.226 -53.643 1.00 0.00 H new ATOM 0 HB2 ASP A 78 1.062 -11.481 -54.930 1.00 0.00 H new ATOM 0 HB3 ASP A 78 0.713 -12.881 -53.935 1.00 0.00 H new ATOM 1233 N SER A 79 -0.502 -12.474 -51.321 1.00 0.00 N ATOM 1234 CA SER A 79 -1.301 -13.274 -50.362 1.00 0.00 C ATOM 1235 C SER A 79 -2.213 -12.372 -49.538 1.00 0.00 C ATOM 1236 O SER A 79 -3.096 -12.846 -48.850 1.00 0.00 O ATOM 1237 CB SER A 79 -0.333 -14.000 -49.415 1.00 0.00 C ATOM 1238 OG SER A 79 -1.177 -14.817 -48.618 1.00 0.00 O ATOM 0 H SER A 79 0.504 -12.460 -51.152 1.00 0.00 H new ATOM 0 HA SER A 79 -1.917 -13.985 -50.912 1.00 0.00 H new ATOM 0 HB2 SER A 79 0.393 -14.596 -49.967 1.00 0.00 H new ATOM 0 HB3 SER A 79 0.232 -13.295 -48.805 1.00 0.00 H new ATOM 0 HG SER A 79 -2.049 -14.383 -48.514 1.00 0.00 H new ATOM 1244 N LEU A 80 -1.979 -11.083 -49.628 1.00 0.00 N ATOM 1245 CA LEU A 80 -2.814 -10.113 -48.862 1.00 0.00 C ATOM 1246 C LEU A 80 -3.685 -9.288 -49.813 1.00 0.00 C ATOM 1247 O LEU A 80 -3.425 -9.221 -50.999 1.00 0.00 O ATOM 1248 CB LEU A 80 -1.865 -9.168 -48.107 1.00 0.00 C ATOM 1249 CG LEU A 80 -1.748 -9.630 -46.651 1.00 0.00 C ATOM 1250 CD1 LEU A 80 -1.196 -11.054 -46.620 1.00 0.00 C ATOM 1251 CD2 LEU A 80 -0.789 -8.702 -45.905 1.00 0.00 C ATOM 0 H LEU A 80 -1.245 -10.665 -50.200 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.465 -10.652 -48.173 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.883 -9.165 -48.580 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.242 -8.146 -48.148 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.729 -9.605 -46.176 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.110 -11.389 -45.586 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.870 -11.717 -47.161 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.213 -11.073 -47.090 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.702 -9.026 -44.868 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.192 -8.735 -46.379 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.172 -7.682 -45.935 1.00 0.00 H new ATOM 1263 N PRO A 81 -4.717 -8.671 -49.264 1.00 0.00 N ATOM 1264 CA PRO A 81 -5.628 -7.848 -50.058 1.00 0.00 C ATOM 1265 C PRO A 81 -4.890 -6.715 -50.766 1.00 0.00 C ATOM 1266 O PRO A 81 -3.678 -6.715 -50.850 1.00 0.00 O ATOM 1267 CB PRO A 81 -6.624 -7.259 -49.036 1.00 0.00 C ATOM 1268 CG PRO A 81 -6.238 -7.822 -47.632 1.00 0.00 C ATOM 1269 CD PRO A 81 -5.032 -8.754 -47.830 1.00 0.00 C ATOM 0 HA PRO A 81 -6.113 -8.437 -50.836 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -6.578 -6.170 -49.039 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -7.647 -7.536 -49.293 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -5.989 -7.011 -46.948 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -7.075 -8.364 -47.192 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -4.185 -8.438 -47.221 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.271 -9.776 -47.537 1.00 0.00 H new ATOM 1277 N ASN A 82 -5.636 -5.767 -51.261 1.00 0.00 N ATOM 1278 CA ASN A 82 -4.995 -4.629 -51.965 1.00 0.00 C ATOM 1279 C ASN A 82 -4.675 -3.499 -50.994 1.00 0.00 C ATOM 1280 O ASN A 82 -3.547 -3.057 -50.906 1.00 0.00 O ATOM 1281 CB ASN A 82 -5.968 -4.106 -53.029 1.00 0.00 C ATOM 1282 CG ASN A 82 -7.297 -3.745 -52.364 1.00 0.00 C ATOM 1283 OD1 ASN A 82 -7.653 -4.280 -51.333 1.00 0.00 O ATOM 1284 ND2 ASN A 82 -8.058 -2.844 -52.920 1.00 0.00 N ATOM 0 H ASN A 82 -6.654 -5.733 -51.208 1.00 0.00 H new ATOM 0 HA ASN A 82 -4.065 -4.972 -52.419 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -5.547 -3.232 -53.525 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -6.126 -4.863 -53.797 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -8.947 -2.591 -52.489 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -7.764 -2.392 -53.786 1.00 0.00 H new ATOM 1291 N SER A 83 -5.675 -3.050 -50.282 1.00 0.00 N ATOM 1292 CA SER A 83 -5.442 -1.948 -49.313 1.00 0.00 C ATOM 1293 C SER A 83 -4.166 -2.191 -48.523 1.00 0.00 C ATOM 1294 O SER A 83 -3.296 -1.340 -48.459 1.00 0.00 O ATOM 1295 CB SER A 83 -6.627 -1.899 -48.337 1.00 0.00 C ATOM 1296 OG SER A 83 -7.587 -1.085 -48.997 1.00 0.00 O ATOM 0 H SER A 83 -6.633 -3.397 -50.331 1.00 0.00 H new ATOM 0 HA SER A 83 -5.346 -1.008 -49.857 1.00 0.00 H new ATOM 0 HB2 SER A 83 -7.020 -2.896 -48.137 1.00 0.00 H new ATOM 0 HB3 SER A 83 -6.335 -1.473 -47.377 1.00 0.00 H new ATOM 0 HG SER A 83 -8.386 -1.002 -48.436 1.00 0.00 H new ATOM 1302 N MET A 84 -4.072 -3.348 -47.930 1.00 0.00 N ATOM 1303 CA MET A 84 -2.863 -3.658 -47.143 1.00 0.00 C ATOM 1304 C MET A 84 -1.618 -3.490 -48.003 1.00 0.00 C ATOM 1305 O MET A 84 -0.565 -3.136 -47.511 1.00 0.00 O ATOM 1306 CB MET A 84 -2.956 -5.117 -46.668 1.00 0.00 C ATOM 1307 CG MET A 84 -3.201 -5.136 -45.157 1.00 0.00 C ATOM 1308 SD MET A 84 -4.657 -4.255 -44.539 1.00 0.00 S ATOM 1309 CE MET A 84 -4.766 -5.087 -42.935 1.00 0.00 C ATOM 0 H MET A 84 -4.778 -4.083 -47.960 1.00 0.00 H new ATOM 0 HA MET A 84 -2.796 -2.980 -46.292 1.00 0.00 H new ATOM 0 HB2 MET A 84 -3.765 -5.631 -47.187 1.00 0.00 H new ATOM 0 HB3 MET A 84 -2.036 -5.650 -46.907 1.00 0.00 H new ATOM 0 HG2 MET A 84 -3.277 -6.176 -44.841 1.00 0.00 H new ATOM 0 HG3 MET A 84 -2.321 -4.718 -44.668 1.00 0.00 H new ATOM 0 HE1 MET A 84 -5.533 -4.606 -42.327 1.00 0.00 H new ATOM 0 HE2 MET A 84 -5.026 -6.135 -43.086 1.00 0.00 H new ATOM 0 HE3 MET A 84 -3.805 -5.021 -42.425 1.00 0.00 H new ATOM 1319 N HIS A 85 -1.760 -3.747 -49.279 1.00 0.00 N ATOM 1320 CA HIS A 85 -0.593 -3.606 -50.183 1.00 0.00 C ATOM 1321 C HIS A 85 -0.138 -2.148 -50.237 1.00 0.00 C ATOM 1322 O HIS A 85 1.042 -1.861 -50.189 1.00 0.00 O ATOM 1323 CB HIS A 85 -1.010 -4.077 -51.602 1.00 0.00 C ATOM 1324 CG HIS A 85 -1.254 -2.867 -52.517 1.00 0.00 C ATOM 1325 ND1 HIS A 85 -0.413 -1.976 -52.759 1.00 0.00 N ATOM 1326 CD2 HIS A 85 -2.381 -2.513 -53.233 1.00 0.00 C ATOM 1327 CE1 HIS A 85 -0.880 -1.098 -53.546 1.00 0.00 C ATOM 1328 NE2 HIS A 85 -2.137 -1.356 -53.906 1.00 0.00 N ATOM 0 H HIS A 85 -2.628 -4.045 -49.725 1.00 0.00 H new ATOM 0 HA HIS A 85 0.234 -4.212 -49.812 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -0.231 -4.710 -52.026 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -1.914 -4.683 -51.540 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -3.308 -3.066 -53.255 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -0.322 -0.238 -53.886 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -2.753 -0.826 -54.523 1.00 0.00 H new ATOM 1336 N ASP A 86 -1.088 -1.255 -50.335 1.00 0.00 N ATOM 1337 CA ASP A 86 -0.729 0.182 -50.391 1.00 0.00 C ATOM 1338 C ASP A 86 0.086 0.570 -49.168 1.00 0.00 C ATOM 1339 O ASP A 86 1.126 1.196 -49.279 1.00 0.00 O ATOM 1340 CB ASP A 86 -2.025 1.006 -50.403 1.00 0.00 C ATOM 1341 CG ASP A 86 -1.743 2.379 -51.014 1.00 0.00 C ATOM 1342 OD1 ASP A 86 -0.590 2.597 -51.350 1.00 0.00 O ATOM 1343 OD2 ASP A 86 -2.696 3.135 -51.110 1.00 0.00 O ATOM 0 H ASP A 86 -2.086 -1.461 -50.378 1.00 0.00 H new ATOM 0 HA ASP A 86 -0.139 0.373 -51.287 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -2.793 0.489 -50.979 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -2.408 1.118 -49.389 1.00 0.00 H new ATOM 1348 N ILE A 87 -0.396 0.185 -48.017 1.00 0.00 N ATOM 1349 CA ILE A 87 0.336 0.521 -46.783 1.00 0.00 C ATOM 1350 C ILE A 87 1.618 -0.277 -46.720 1.00 0.00 C ATOM 1351 O ILE A 87 2.610 0.165 -46.172 1.00 0.00 O ATOM 1352 CB ILE A 87 -0.539 0.155 -45.585 1.00 0.00 C ATOM 1353 CG1 ILE A 87 -1.877 0.877 -45.686 1.00 0.00 C ATOM 1354 CG2 ILE A 87 0.171 0.616 -44.302 1.00 0.00 C ATOM 1355 CD1 ILE A 87 -2.707 0.573 -44.438 1.00 0.00 C ATOM 0 H ILE A 87 -1.259 -0.343 -47.887 1.00 0.00 H new ATOM 0 HA ILE A 87 0.572 1.585 -46.771 1.00 0.00 H new ATOM 0 HB ILE A 87 -0.705 -0.922 -45.568 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -1.718 1.951 -45.779 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -2.411 0.555 -46.580 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -0.441 0.362 -43.436 1.00 0.00 H new ATOM 0 HG22 ILE A 87 1.137 0.118 -44.222 1.00 0.00 H new ATOM 0 HG23 ILE A 87 0.321 1.695 -44.337 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -3.666 1.087 -44.505 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -2.876 -0.501 -44.366 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -2.172 0.916 -43.553 1.00 0.00 H new ATOM 1367 N ALA A 88 1.579 -1.448 -47.292 1.00 0.00 N ATOM 1368 CA ALA A 88 2.781 -2.292 -47.282 1.00 0.00 C ATOM 1369 C ALA A 88 3.776 -1.765 -48.294 1.00 0.00 C ATOM 1370 O ALA A 88 4.962 -2.002 -48.191 1.00 0.00 O ATOM 1371 CB ALA A 88 2.383 -3.722 -47.667 1.00 0.00 C ATOM 0 H ALA A 88 0.766 -1.846 -47.761 1.00 0.00 H new ATOM 0 HA ALA A 88 3.232 -2.282 -46.290 1.00 0.00 H new ATOM 0 HB1 ALA A 88 3.267 -4.359 -47.663 1.00 0.00 H new ATOM 0 HB2 ALA A 88 1.658 -4.104 -46.949 1.00 0.00 H new ATOM 0 HB3 ALA A 88 1.941 -3.721 -48.663 1.00 0.00 H new ATOM 1377 N MET A 89 3.268 -1.054 -49.263 1.00 0.00 N ATOM 1378 CA MET A 89 4.158 -0.496 -50.295 1.00 0.00 C ATOM 1379 C MET A 89 5.041 0.580 -49.689 1.00 0.00 C ATOM 1380 O MET A 89 6.249 0.543 -49.815 1.00 0.00 O ATOM 1381 CB MET A 89 3.294 0.128 -51.402 1.00 0.00 C ATOM 1382 CG MET A 89 4.148 0.305 -52.661 1.00 0.00 C ATOM 1383 SD MET A 89 3.412 1.206 -54.049 1.00 0.00 S ATOM 1384 CE MET A 89 3.873 2.869 -53.510 1.00 0.00 C ATOM 0 H MET A 89 2.277 -0.841 -49.377 1.00 0.00 H new ATOM 0 HA MET A 89 4.787 -1.287 -50.703 1.00 0.00 H new ATOM 0 HB2 MET A 89 2.437 -0.510 -51.615 1.00 0.00 H new ATOM 0 HB3 MET A 89 2.901 1.091 -51.075 1.00 0.00 H new ATOM 0 HG2 MET A 89 5.066 0.818 -52.375 1.00 0.00 H new ATOM 0 HG3 MET A 89 4.434 -0.685 -53.016 1.00 0.00 H new ATOM 0 HE1 MET A 89 3.025 3.542 -53.640 1.00 0.00 H new ATOM 0 HE2 MET A 89 4.159 2.844 -52.458 1.00 0.00 H new ATOM 0 HE3 MET A 89 4.713 3.225 -54.106 1.00 0.00 H new ATOM 1394 N HIS A 90 4.422 1.525 -49.034 1.00 0.00 N ATOM 1395 CA HIS A 90 5.212 2.611 -48.411 1.00 0.00 C ATOM 1396 C HIS A 90 6.070 2.055 -47.280 1.00 0.00 C ATOM 1397 O HIS A 90 7.109 2.596 -46.956 1.00 0.00 O ATOM 1398 CB HIS A 90 4.238 3.651 -47.834 1.00 0.00 C ATOM 1399 CG HIS A 90 3.323 4.159 -48.952 1.00 0.00 C ATOM 1400 ND1 HIS A 90 3.629 4.198 -50.162 1.00 0.00 N ATOM 1401 CD2 HIS A 90 2.034 4.657 -48.882 1.00 0.00 C ATOM 1402 CE1 HIS A 90 2.682 4.663 -50.866 1.00 0.00 C ATOM 1403 NE2 HIS A 90 1.616 4.987 -50.134 1.00 0.00 N ATOM 0 H HIS A 90 3.412 1.587 -48.907 1.00 0.00 H new ATOM 0 HA HIS A 90 5.862 3.064 -49.160 1.00 0.00 H new ATOM 0 HB2 HIS A 90 3.644 3.207 -47.035 1.00 0.00 H new ATOM 0 HB3 HIS A 90 4.792 4.481 -47.395 1.00 0.00 H new ATOM 0 HD2 HIS A 90 1.453 4.766 -47.978 1.00 0.00 H new ATOM 0 HE1 HIS A 90 2.733 4.783 -51.938 1.00 0.00 H new ATOM 0 HE2 HIS A 90 0.723 5.379 -50.433 1.00 0.00 H new ATOM 1411 N MET A 91 5.613 0.976 -46.698 1.00 0.00 N ATOM 1412 CA MET A 91 6.378 0.360 -45.588 1.00 0.00 C ATOM 1413 C MET A 91 7.419 -0.619 -46.127 1.00 0.00 C ATOM 1414 O MET A 91 8.520 -0.701 -45.619 1.00 0.00 O ATOM 1415 CB MET A 91 5.389 -0.411 -44.697 1.00 0.00 C ATOM 1416 CG MET A 91 6.126 -0.941 -43.465 1.00 0.00 C ATOM 1417 SD MET A 91 5.492 -2.462 -42.709 1.00 0.00 S ATOM 1418 CE MET A 91 5.523 -1.892 -40.991 1.00 0.00 C ATOM 0 H MET A 91 4.745 0.501 -46.947 1.00 0.00 H new ATOM 0 HA MET A 91 6.891 1.141 -45.026 1.00 0.00 H new ATOM 0 HB2 MET A 91 4.571 0.242 -44.393 1.00 0.00 H new ATOM 0 HB3 MET A 91 4.947 -1.237 -45.254 1.00 0.00 H new ATOM 0 HG2 MET A 91 7.167 -1.110 -43.741 1.00 0.00 H new ATOM 0 HG3 MET A 91 6.120 -0.159 -42.706 1.00 0.00 H new ATOM 0 HE1 MET A 91 5.035 -2.630 -40.354 1.00 0.00 H new ATOM 0 HE2 MET A 91 6.556 -1.762 -40.669 1.00 0.00 H new ATOM 0 HE3 MET A 91 4.997 -0.941 -40.914 1.00 0.00 H new ATOM 1428 N GLY A 92 7.052 -1.339 -47.152 1.00 0.00 N ATOM 1429 CA GLY A 92 8.007 -2.321 -47.741 1.00 0.00 C ATOM 1430 C GLY A 92 9.267 -1.613 -48.247 1.00 0.00 C ATOM 1431 O GLY A 92 10.322 -2.208 -48.331 1.00 0.00 O ATOM 0 H GLY A 92 6.139 -1.291 -47.604 1.00 0.00 H new ATOM 0 HA2 GLY A 92 8.278 -3.066 -46.993 1.00 0.00 H new ATOM 0 HA3 GLY A 92 7.528 -2.854 -48.563 1.00 0.00 H new ATOM 1435 N LYS A 93 9.132 -0.357 -48.573 1.00 0.00 N ATOM 1436 CA LYS A 93 10.311 0.390 -49.070 1.00 0.00 C ATOM 1437 C LYS A 93 11.511 0.178 -48.152 1.00 0.00 C ATOM 1438 O LYS A 93 12.601 -0.101 -48.607 1.00 0.00 O ATOM 1439 CB LYS A 93 9.967 1.888 -49.101 1.00 0.00 C ATOM 1440 CG LYS A 93 10.609 2.523 -50.339 1.00 0.00 C ATOM 1441 CD LYS A 93 10.847 4.013 -50.078 1.00 0.00 C ATOM 1442 CE LYS A 93 11.828 4.552 -51.118 1.00 0.00 C ATOM 1443 NZ LYS A 93 11.954 3.603 -52.260 1.00 0.00 N ATOM 0 H LYS A 93 8.264 0.176 -48.516 1.00 0.00 H new ATOM 0 HA LYS A 93 10.564 0.030 -50.067 1.00 0.00 H new ATOM 0 HB2 LYS A 93 8.886 2.025 -49.125 1.00 0.00 H new ATOM 0 HB3 LYS A 93 10.330 2.376 -48.197 1.00 0.00 H new ATOM 0 HG2 LYS A 93 11.552 2.027 -50.568 1.00 0.00 H new ATOM 0 HG3 LYS A 93 9.961 2.393 -51.206 1.00 0.00 H new ATOM 0 HD2 LYS A 93 9.905 4.559 -50.131 1.00 0.00 H new ATOM 0 HD3 LYS A 93 11.245 4.160 -49.074 1.00 0.00 H new ATOM 0 HE2 LYS A 93 11.487 5.522 -51.480 1.00 0.00 H new ATOM 0 HE3 LYS A 93 12.804 4.709 -50.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 12.530 4.036 -53.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 12.411 2.727 -51.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 11.009 3.382 -52.634 1.00 0.00 H new ATOM 1457 N ARG A 94 11.286 0.312 -46.873 1.00 0.00 N ATOM 1458 CA ARG A 94 12.403 0.122 -45.913 1.00 0.00 C ATOM 1459 C ARG A 94 12.742 -1.358 -45.752 1.00 0.00 C ATOM 1460 O ARG A 94 13.666 -1.856 -46.365 1.00 0.00 O ATOM 1461 CB ARG A 94 11.968 0.681 -44.549 1.00 0.00 C ATOM 1462 CG ARG A 94 12.433 2.135 -44.428 1.00 0.00 C ATOM 1463 CD ARG A 94 11.823 2.752 -43.167 1.00 0.00 C ATOM 1464 NE ARG A 94 12.496 4.052 -42.889 1.00 0.00 N ATOM 1465 CZ ARG A 94 13.694 4.056 -42.375 1.00 0.00 C ATOM 1466 NH1 ARG A 94 13.905 3.411 -41.260 1.00 0.00 N ATOM 1467 NH2 ARG A 94 14.640 4.709 -42.992 1.00 0.00 N ATOM 0 H ARG A 94 10.384 0.543 -46.457 1.00 0.00 H new ATOM 0 HA ARG A 94 13.285 0.640 -46.289 1.00 0.00 H new ATOM 0 HB2 ARG A 94 10.884 0.624 -44.448 1.00 0.00 H new ATOM 0 HB3 ARG A 94 12.395 0.082 -43.744 1.00 0.00 H new ATOM 0 HG2 ARG A 94 13.521 2.179 -44.380 1.00 0.00 H new ATOM 0 HG3 ARG A 94 12.130 2.701 -45.308 1.00 0.00 H new ATOM 0 HD2 ARG A 94 10.752 2.904 -43.302 1.00 0.00 H new ATOM 0 HD3 ARG A 94 11.945 2.076 -42.320 1.00 0.00 H new ATOM 0 HE ARG A 94 12.023 4.931 -43.099 1.00 0.00 H new ATOM 0 HH11 ARG A 94 13.139 2.915 -40.805 1.00 0.00 H new ATOM 0 HH12 ARG A 94 14.836 3.403 -40.844 1.00 0.00 H new ATOM 0 HH21 ARG A 94 14.435 5.204 -43.860 1.00 0.00 H new ATOM 0 HH22 ARG A 94 15.584 4.725 -42.606 1.00 0.00 H new ATOM 1481 N CYS A 95 11.988 -2.035 -44.927 1.00 0.00 N ATOM 1482 CA CYS A 95 12.250 -3.482 -44.713 1.00 0.00 C ATOM 1483 C CYS A 95 12.475 -4.202 -46.039 1.00 0.00 C ATOM 1484 O CYS A 95 11.537 -4.652 -46.666 1.00 0.00 O ATOM 1485 CB CYS A 95 11.020 -4.096 -44.024 1.00 0.00 C ATOM 1486 SG CYS A 95 9.498 -4.224 -44.995 1.00 0.00 S ATOM 0 H CYS A 95 11.207 -1.649 -44.396 1.00 0.00 H new ATOM 0 HA CYS A 95 13.146 -3.593 -44.102 1.00 0.00 H new ATOM 0 HB2 CYS A 95 11.288 -5.097 -43.685 1.00 0.00 H new ATOM 0 HB3 CYS A 95 10.803 -3.506 -43.134 1.00 0.00 H new ATOM 0 HG CYS A 95 8.588 -4.837 -44.297 1.00 0.00 H new ATOM 1492 N LEU A 96 13.714 -4.308 -46.449 1.00 0.00 N ATOM 1493 CA LEU A 96 13.984 -5.001 -47.735 1.00 0.00 C ATOM 1494 C LEU A 96 15.480 -5.214 -47.968 1.00 0.00 C ATOM 1495 O LEU A 96 15.973 -4.964 -49.048 1.00 0.00 O ATOM 1496 CB LEU A 96 13.432 -4.127 -48.871 1.00 0.00 C ATOM 1497 CG LEU A 96 13.135 -5.010 -50.085 1.00 0.00 C ATOM 1498 CD1 LEU A 96 11.680 -5.479 -50.024 1.00 0.00 C ATOM 1499 CD2 LEU A 96 13.350 -4.196 -51.362 1.00 0.00 C ATOM 0 H LEU A 96 14.533 -3.951 -45.957 1.00 0.00 H new ATOM 0 HA LEU A 96 13.506 -5.980 -47.706 1.00 0.00 H new ATOM 0 HB2 LEU A 96 12.525 -3.617 -48.546 1.00 0.00 H new ATOM 0 HB3 LEU A 96 14.154 -3.355 -49.136 1.00 0.00 H new ATOM 0 HG LEU A 96 13.799 -5.875 -50.083 1.00 0.00 H new ATOM 0 HD11 LEU A 96 11.464 -6.108 -50.887 1.00 0.00 H new ATOM 0 HD12 LEU A 96 11.520 -6.050 -49.109 1.00 0.00 H new ATOM 0 HD13 LEU A 96 11.018 -4.613 -50.032 1.00 0.00 H new ATOM 0 HD21 LEU A 96 13.140 -4.820 -52.231 1.00 0.00 H new ATOM 0 HD22 LEU A 96 12.680 -3.336 -51.362 1.00 0.00 H new ATOM 0 HD23 LEU A 96 14.383 -3.851 -51.404 1.00 0.00 H new ATOM 1511 N TYR A 97 16.176 -5.676 -46.960 1.00 0.00 N ATOM 1512 CA TYR A 97 17.636 -5.901 -47.134 1.00 0.00 C ATOM 1513 C TYR A 97 18.281 -6.447 -45.840 1.00 0.00 C ATOM 1514 O TYR A 97 18.989 -5.748 -45.140 1.00 0.00 O ATOM 1515 CB TYR A 97 18.293 -4.551 -47.516 1.00 0.00 C ATOM 1516 CG TYR A 97 18.536 -4.524 -49.030 1.00 0.00 C ATOM 1517 CD1 TYR A 97 19.272 -5.521 -49.638 1.00 0.00 C ATOM 1518 CD2 TYR A 97 18.021 -3.504 -49.810 1.00 0.00 C ATOM 1519 CE1 TYR A 97 19.491 -5.501 -51.001 1.00 0.00 C ATOM 1520 CE2 TYR A 97 18.241 -3.485 -51.174 1.00 0.00 C ATOM 1521 CZ TYR A 97 18.978 -4.483 -51.780 1.00 0.00 C ATOM 1522 OH TYR A 97 19.200 -4.465 -53.142 1.00 0.00 O ATOM 0 H TYR A 97 15.801 -5.903 -46.039 1.00 0.00 H new ATOM 0 HA TYR A 97 17.791 -6.642 -47.918 1.00 0.00 H new ATOM 0 HB2 TYR A 97 17.648 -3.722 -47.224 1.00 0.00 H new ATOM 0 HB3 TYR A 97 19.235 -4.426 -46.981 1.00 0.00 H new ATOM 0 HD1 TYR A 97 19.680 -6.324 -49.042 1.00 0.00 H new ATOM 0 HD2 TYR A 97 17.443 -2.717 -49.349 1.00 0.00 H new ATOM 0 HE1 TYR A 97 20.069 -6.289 -51.462 1.00 0.00 H new ATOM 0 HE2 TYR A 97 17.833 -2.683 -51.771 1.00 0.00 H new ATOM 0 HH TYR A 97 18.766 -3.678 -53.534 1.00 0.00 H new ATOM 1532 N PRO A 98 17.995 -7.706 -45.544 1.00 0.00 N ATOM 1533 CA PRO A 98 18.535 -8.359 -44.353 1.00 0.00 C ATOM 1534 C PRO A 98 20.052 -8.282 -44.292 1.00 0.00 C ATOM 1535 O PRO A 98 20.716 -8.186 -45.306 1.00 0.00 O ATOM 1536 CB PRO A 98 18.083 -9.829 -44.468 1.00 0.00 C ATOM 1537 CG PRO A 98 17.096 -9.914 -45.672 1.00 0.00 C ATOM 1538 CD PRO A 98 17.095 -8.535 -46.356 1.00 0.00 C ATOM 0 HA PRO A 98 18.177 -7.872 -43.446 1.00 0.00 H new ATOM 0 HB2 PRO A 98 18.940 -10.484 -44.626 1.00 0.00 H new ATOM 0 HB3 PRO A 98 17.597 -10.155 -43.548 1.00 0.00 H new ATOM 0 HG2 PRO A 98 17.407 -10.690 -46.371 1.00 0.00 H new ATOM 0 HG3 PRO A 98 16.094 -10.175 -45.331 1.00 0.00 H new ATOM 0 HD2 PRO A 98 17.445 -8.605 -47.386 1.00 0.00 H new ATOM 0 HD3 PRO A 98 16.091 -8.112 -46.389 1.00 0.00 H new ATOM 1546 N GLU A 99 20.573 -8.325 -43.086 1.00 0.00 N ATOM 1547 CA GLU A 99 22.044 -8.255 -42.912 1.00 0.00 C ATOM 1548 C GLU A 99 22.516 -9.249 -41.859 1.00 0.00 C ATOM 1549 O GLU A 99 23.257 -8.897 -40.962 1.00 0.00 O ATOM 1550 CB GLU A 99 22.407 -6.835 -42.450 1.00 0.00 C ATOM 1551 CG GLU A 99 21.526 -6.446 -41.271 1.00 0.00 C ATOM 1552 CD GLU A 99 22.146 -5.247 -40.552 1.00 0.00 C ATOM 1553 OE1 GLU A 99 23.363 -5.163 -40.589 1.00 0.00 O ATOM 1554 OE2 GLU A 99 21.368 -4.482 -40.006 1.00 0.00 O ATOM 0 H GLU A 99 20.037 -8.405 -42.222 1.00 0.00 H new ATOM 0 HA GLU A 99 22.527 -8.498 -43.859 1.00 0.00 H new ATOM 0 HB2 GLU A 99 23.458 -6.792 -42.163 1.00 0.00 H new ATOM 0 HB3 GLU A 99 22.271 -6.128 -43.269 1.00 0.00 H new ATOM 0 HG2 GLU A 99 20.523 -6.198 -41.618 1.00 0.00 H new ATOM 0 HG3 GLU A 99 21.427 -7.286 -40.583 1.00 0.00 H new ATOM 1561 N GLY A 100 22.079 -10.480 -41.993 1.00 0.00 N ATOM 1562 CA GLY A 100 22.489 -11.525 -41.008 1.00 0.00 C ATOM 1563 C GLY A 100 23.471 -12.503 -41.651 1.00 0.00 C ATOM 1564 O GLY A 100 24.574 -12.137 -42.002 1.00 0.00 O ATOM 0 H GLY A 100 21.460 -10.802 -42.737 1.00 0.00 H new ATOM 0 HA2 GLY A 100 22.950 -11.055 -40.139 1.00 0.00 H new ATOM 0 HA3 GLY A 100 21.611 -12.063 -40.651 1.00 0.00 H new ATOM 1568 N GLU A 101 23.044 -13.726 -41.797 1.00 0.00 N ATOM 1569 CA GLU A 101 23.933 -14.743 -42.413 1.00 0.00 C ATOM 1570 C GLU A 101 23.201 -16.069 -42.585 1.00 0.00 C ATOM 1571 O GLU A 101 23.642 -16.930 -43.317 1.00 0.00 O ATOM 1572 CB GLU A 101 25.137 -14.965 -41.482 1.00 0.00 C ATOM 1573 CG GLU A 101 24.631 -15.201 -40.057 1.00 0.00 C ATOM 1574 CD GLU A 101 25.811 -15.125 -39.084 1.00 0.00 C ATOM 1575 OE1 GLU A 101 26.629 -16.027 -39.155 1.00 0.00 O ATOM 1576 OE2 GLU A 101 25.826 -14.170 -38.326 1.00 0.00 O ATOM 0 H GLU A 101 22.122 -14.062 -41.517 1.00 0.00 H new ATOM 0 HA GLU A 101 24.253 -14.388 -43.393 1.00 0.00 H new ATOM 0 HB2 GLU A 101 25.721 -15.821 -41.820 1.00 0.00 H new ATOM 0 HB3 GLU A 101 25.797 -14.098 -41.508 1.00 0.00 H new ATOM 0 HG2 GLU A 101 23.881 -14.454 -39.796 1.00 0.00 H new ATOM 0 HG3 GLU A 101 24.148 -16.176 -39.987 1.00 0.00 H new ATOM 1583 N ASN A 102 22.092 -16.206 -41.901 1.00 0.00 N ATOM 1584 CA ASN A 102 21.313 -17.464 -42.006 1.00 0.00 C ATOM 1585 C ASN A 102 19.823 -17.164 -42.039 1.00 0.00 C ATOM 1586 O ASN A 102 19.383 -16.147 -41.543 1.00 0.00 O ATOM 1587 CB ASN A 102 21.612 -18.325 -40.769 1.00 0.00 C ATOM 1588 CG ASN A 102 22.920 -19.086 -40.983 1.00 0.00 C ATOM 1589 OD1 ASN A 102 23.996 -18.684 -40.365 1.00 0.00 O flip ATOM 1590 ND2 ASN A 102 22.972 -20.056 -41.713 1.00 0.00 N flip ATOM 0 H ASN A 102 21.699 -15.500 -41.278 1.00 0.00 H new ATOM 0 HA ASN A 102 21.592 -17.984 -42.922 1.00 0.00 H new ATOM 0 HB2 ASN A 102 21.686 -17.694 -39.883 1.00 0.00 H new ATOM 0 HB3 ASN A 102 20.795 -19.026 -40.594 1.00 0.00 H new ATOM 0 HD21 ASN A 102 22.133 -20.374 -42.199 1.00 0.00 H new ATOM 0 HD22 ASN A 102 23.854 -20.552 -41.840 1.00 0.00 H new ATOM 1597 N LEU A 103 19.071 -18.053 -42.622 1.00 0.00 N ATOM 1598 CA LEU A 103 17.610 -17.825 -42.690 1.00 0.00 C ATOM 1599 C LEU A 103 17.077 -17.360 -41.341 1.00 0.00 C ATOM 1600 O LEU A 103 16.333 -16.404 -41.265 1.00 0.00 O ATOM 1601 CB LEU A 103 16.931 -19.150 -43.065 1.00 0.00 C ATOM 1602 CG LEU A 103 17.217 -19.459 -44.534 1.00 0.00 C ATOM 1603 CD1 LEU A 103 17.090 -20.966 -44.765 1.00 0.00 C ATOM 1604 CD2 LEU A 103 16.199 -18.727 -45.412 1.00 0.00 C ATOM 0 H LEU A 103 19.403 -18.918 -43.049 1.00 0.00 H new ATOM 0 HA LEU A 103 17.399 -17.056 -43.433 1.00 0.00 H new ATOM 0 HB2 LEU A 103 17.303 -19.956 -42.432 1.00 0.00 H new ATOM 0 HB3 LEU A 103 15.856 -19.083 -42.897 1.00 0.00 H new ATOM 0 HG LEU A 103 18.225 -19.131 -44.789 1.00 0.00 H new ATOM 0 HD11 LEU A 103 17.293 -21.192 -45.812 1.00 0.00 H new ATOM 0 HD12 LEU A 103 17.807 -21.492 -44.134 1.00 0.00 H new ATOM 0 HD13 LEU A 103 16.080 -21.289 -44.514 1.00 0.00 H new ATOM 0 HD21 LEU A 103 16.400 -18.945 -46.461 1.00 0.00 H new ATOM 0 HD22 LEU A 103 15.193 -19.061 -45.158 1.00 0.00 H new ATOM 0 HD23 LEU A 103 16.278 -17.653 -45.243 1.00 0.00 H new ATOM 1616 N CYS A 104 17.471 -18.041 -40.299 1.00 0.00 N ATOM 1617 CA CYS A 104 16.995 -17.647 -38.953 1.00 0.00 C ATOM 1618 C CYS A 104 17.346 -16.193 -38.673 1.00 0.00 C ATOM 1619 O CYS A 104 16.497 -15.405 -38.307 1.00 0.00 O ATOM 1620 CB CYS A 104 17.689 -18.540 -37.909 1.00 0.00 C ATOM 1621 SG CYS A 104 19.206 -19.388 -38.414 1.00 0.00 S ATOM 0 H CYS A 104 18.097 -18.846 -40.326 1.00 0.00 H new ATOM 0 HA CYS A 104 15.913 -17.765 -38.903 1.00 0.00 H new ATOM 0 HB2 CYS A 104 17.921 -17.924 -37.040 1.00 0.00 H new ATOM 0 HB3 CYS A 104 16.974 -19.295 -37.583 1.00 0.00 H new ATOM 0 HG CYS A 104 19.661 -20.093 -37.421 1.00 0.00 H new ATOM 1627 N GLU A 105 18.595 -15.862 -38.854 1.00 0.00 N ATOM 1628 CA GLU A 105 19.019 -14.467 -38.605 1.00 0.00 C ATOM 1629 C GLU A 105 18.298 -13.515 -39.552 1.00 0.00 C ATOM 1630 O GLU A 105 17.931 -12.420 -39.176 1.00 0.00 O ATOM 1631 CB GLU A 105 20.532 -14.365 -38.852 1.00 0.00 C ATOM 1632 CG GLU A 105 21.267 -15.195 -37.795 1.00 0.00 C ATOM 1633 CD GLU A 105 22.709 -14.699 -37.673 1.00 0.00 C ATOM 1634 OE1 GLU A 105 22.857 -13.497 -37.532 1.00 0.00 O ATOM 1635 OE2 GLU A 105 23.581 -15.550 -37.728 1.00 0.00 O ATOM 0 H GLU A 105 19.332 -16.497 -39.162 1.00 0.00 H new ATOM 0 HA GLU A 105 18.776 -14.195 -37.578 1.00 0.00 H new ATOM 0 HB2 GLU A 105 20.776 -14.727 -39.851 1.00 0.00 H new ATOM 0 HB3 GLU A 105 20.852 -13.324 -38.803 1.00 0.00 H new ATOM 0 HG2 GLU A 105 20.760 -15.112 -36.834 1.00 0.00 H new ATOM 0 HG3 GLU A 105 21.255 -16.249 -38.072 1.00 0.00 H new ATOM 1642 N LYS A 106 18.109 -13.953 -40.769 1.00 0.00 N ATOM 1643 CA LYS A 106 17.413 -13.088 -41.754 1.00 0.00 C ATOM 1644 C LYS A 106 15.948 -12.936 -41.375 1.00 0.00 C ATOM 1645 O LYS A 106 15.460 -11.834 -41.214 1.00 0.00 O ATOM 1646 CB LYS A 106 17.509 -13.748 -43.139 1.00 0.00 C ATOM 1647 CG LYS A 106 18.926 -13.535 -43.699 1.00 0.00 C ATOM 1648 CD LYS A 106 19.358 -14.770 -44.502 1.00 0.00 C ATOM 1649 CE LYS A 106 18.725 -14.713 -45.893 1.00 0.00 C ATOM 1650 NZ LYS A 106 17.247 -14.872 -45.804 1.00 0.00 N ATOM 0 H LYS A 106 18.405 -14.865 -41.117 1.00 0.00 H new ATOM 0 HA LYS A 106 17.879 -12.103 -41.767 1.00 0.00 H new ATOM 0 HB2 LYS A 106 17.290 -14.813 -43.064 1.00 0.00 H new ATOM 0 HB3 LYS A 106 16.769 -13.317 -43.813 1.00 0.00 H new ATOM 0 HG2 LYS A 106 18.946 -12.650 -44.336 1.00 0.00 H new ATOM 0 HG3 LYS A 106 19.627 -13.357 -42.883 1.00 0.00 H new ATOM 0 HD2 LYS A 106 20.444 -14.803 -44.585 1.00 0.00 H new ATOM 0 HD3 LYS A 106 19.050 -15.680 -43.986 1.00 0.00 H new ATOM 0 HE2 LYS A 106 18.966 -13.763 -46.369 1.00 0.00 H new ATOM 0 HE3 LYS A 106 19.143 -15.499 -46.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 16.890 -15.296 -46.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 17.012 -15.490 -45.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 16.805 -13.941 -45.664 1.00 0.00 H new ATOM 1664 N ALA A 107 15.266 -14.048 -41.247 1.00 0.00 N ATOM 1665 CA ALA A 107 13.833 -13.982 -40.877 1.00 0.00 C ATOM 1666 C ALA A 107 13.633 -12.967 -39.764 1.00 0.00 C ATOM 1667 O ALA A 107 12.638 -12.266 -39.721 1.00 0.00 O ATOM 1668 CB ALA A 107 13.393 -15.370 -40.378 1.00 0.00 C ATOM 0 H ALA A 107 15.642 -14.986 -41.383 1.00 0.00 H new ATOM 0 HA ALA A 107 13.243 -13.683 -41.743 1.00 0.00 H new ATOM 0 HB1 ALA A 107 12.339 -15.340 -40.101 1.00 0.00 H new ATOM 0 HB2 ALA A 107 13.539 -16.105 -41.170 1.00 0.00 H new ATOM 0 HB3 ALA A 107 13.989 -15.650 -39.509 1.00 0.00 H new ATOM 1674 N PHE A 108 14.598 -12.901 -38.886 1.00 0.00 N ATOM 1675 CA PHE A 108 14.498 -11.945 -37.767 1.00 0.00 C ATOM 1676 C PHE A 108 14.711 -10.518 -38.262 1.00 0.00 C ATOM 1677 O PHE A 108 13.960 -9.627 -37.922 1.00 0.00 O ATOM 1678 CB PHE A 108 15.584 -12.286 -36.738 1.00 0.00 C ATOM 1679 CG PHE A 108 15.355 -11.459 -35.474 1.00 0.00 C ATOM 1680 CD1 PHE A 108 14.372 -11.820 -34.568 1.00 0.00 C ATOM 1681 CD2 PHE A 108 16.125 -10.340 -35.219 1.00 0.00 C ATOM 1682 CE1 PHE A 108 14.166 -11.074 -33.428 1.00 0.00 C ATOM 1683 CE2 PHE A 108 15.916 -9.595 -34.076 1.00 0.00 C ATOM 1684 CZ PHE A 108 14.937 -9.963 -33.182 1.00 0.00 C ATOM 0 H PHE A 108 15.445 -13.469 -38.902 1.00 0.00 H new ATOM 0 HA PHE A 108 13.506 -12.016 -37.320 1.00 0.00 H new ATOM 0 HB2 PHE A 108 15.556 -13.350 -36.501 1.00 0.00 H new ATOM 0 HB3 PHE A 108 16.571 -12.077 -37.150 1.00 0.00 H new ATOM 0 HD1 PHE A 108 13.763 -12.692 -34.756 1.00 0.00 H new ATOM 0 HD2 PHE A 108 16.894 -10.047 -35.918 1.00 0.00 H new ATOM 0 HE1 PHE A 108 13.397 -11.363 -32.726 1.00 0.00 H new ATOM 0 HE2 PHE A 108 16.522 -8.722 -33.883 1.00 0.00 H new ATOM 0 HZ PHE A 108 14.775 -9.379 -32.288 1.00 0.00 H new ATOM 1694 N TRP A 109 15.739 -10.317 -39.060 1.00 0.00 N ATOM 1695 CA TRP A 109 15.991 -8.944 -39.572 1.00 0.00 C ATOM 1696 C TRP A 109 14.696 -8.338 -40.066 1.00 0.00 C ATOM 1697 O TRP A 109 14.313 -7.264 -39.657 1.00 0.00 O ATOM 1698 CB TRP A 109 16.981 -9.011 -40.756 1.00 0.00 C ATOM 1699 CG TRP A 109 17.388 -7.578 -41.153 1.00 0.00 C ATOM 1700 CD1 TRP A 109 18.455 -6.943 -40.675 1.00 0.00 C ATOM 1701 CD2 TRP A 109 16.708 -6.805 -41.977 1.00 0.00 C ATOM 1702 NE1 TRP A 109 18.378 -5.725 -41.251 1.00 0.00 N ATOM 1703 CE2 TRP A 109 17.298 -5.561 -42.094 1.00 0.00 C ATOM 1704 CE3 TRP A 109 15.581 -7.098 -42.721 1.00 0.00 C ATOM 1705 CZ2 TRP A 109 16.761 -4.616 -42.941 1.00 0.00 C ATOM 1706 CZ3 TRP A 109 15.046 -6.151 -43.570 1.00 0.00 C ATOM 1707 CH2 TRP A 109 15.637 -4.910 -43.680 1.00 0.00 C ATOM 0 H TRP A 109 16.397 -11.033 -39.369 1.00 0.00 H new ATOM 0 HA TRP A 109 16.404 -8.336 -38.768 1.00 0.00 H new ATOM 0 HB2 TRP A 109 17.862 -9.589 -40.477 1.00 0.00 H new ATOM 0 HB3 TRP A 109 16.521 -9.520 -41.603 1.00 0.00 H new ATOM 0 HD1 TRP A 109 19.203 -7.314 -39.990 1.00 0.00 H new ATOM 0 HE1 TRP A 109 19.061 -4.987 -41.078 1.00 0.00 H new ATOM 0 HE3 TRP A 109 15.118 -8.070 -42.638 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 17.222 -3.643 -43.025 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 14.164 -6.382 -44.149 1.00 0.00 H new ATOM 0 HH2 TRP A 109 15.219 -4.169 -44.345 1.00 0.00 H new ATOM 1718 N LEU A 110 14.037 -9.053 -40.937 1.00 0.00 N ATOM 1719 CA LEU A 110 12.758 -8.548 -41.482 1.00 0.00 C ATOM 1720 C LEU A 110 11.800 -8.194 -40.362 1.00 0.00 C ATOM 1721 O LEU A 110 11.419 -7.051 -40.210 1.00 0.00 O ATOM 1722 CB LEU A 110 12.119 -9.663 -42.332 1.00 0.00 C ATOM 1723 CG LEU A 110 12.766 -9.695 -43.718 1.00 0.00 C ATOM 1724 CD1 LEU A 110 12.555 -11.079 -44.336 1.00 0.00 C ATOM 1725 CD2 LEU A 110 12.102 -8.642 -44.604 1.00 0.00 C ATOM 0 H LEU A 110 14.333 -9.963 -41.290 1.00 0.00 H new ATOM 0 HA LEU A 110 12.953 -7.656 -42.078 1.00 0.00 H new ATOM 0 HB2 LEU A 110 12.247 -10.627 -41.839 1.00 0.00 H new ATOM 0 HB3 LEU A 110 11.047 -9.492 -42.425 1.00 0.00 H new ATOM 0 HG LEU A 110 13.833 -9.487 -43.635 1.00 0.00 H new ATOM 0 HD11 LEU A 110 13.013 -11.110 -45.324 1.00 0.00 H new ATOM 0 HD12 LEU A 110 13.014 -11.836 -43.699 1.00 0.00 H new ATOM 0 HD13 LEU A 110 11.487 -11.279 -44.425 1.00 0.00 H new ATOM 0 HD21 LEU A 110 12.558 -8.659 -45.594 1.00 0.00 H new ATOM 0 HD22 LEU A 110 11.037 -8.859 -44.691 1.00 0.00 H new ATOM 0 HD23 LEU A 110 12.236 -7.656 -44.160 1.00 0.00 H new ATOM 1737 N HIS A 111 11.416 -9.178 -39.597 1.00 0.00 N ATOM 1738 CA HIS A 111 10.483 -8.887 -38.491 1.00 0.00 C ATOM 1739 C HIS A 111 10.978 -7.688 -37.706 1.00 0.00 C ATOM 1740 O HIS A 111 10.222 -6.790 -37.393 1.00 0.00 O ATOM 1741 CB HIS A 111 10.408 -10.111 -37.572 1.00 0.00 C ATOM 1742 CG HIS A 111 9.327 -11.059 -38.099 1.00 0.00 C ATOM 1743 ND1 HIS A 111 8.165 -11.135 -37.650 1.00 0.00 N ATOM 1744 CD2 HIS A 111 9.384 -11.979 -39.129 1.00 0.00 C ATOM 1745 CE1 HIS A 111 7.479 -11.997 -38.279 1.00 0.00 C ATOM 1746 NE2 HIS A 111 8.175 -12.592 -39.247 1.00 0.00 N ATOM 0 H HIS A 111 11.705 -10.152 -39.692 1.00 0.00 H new ATOM 0 HA HIS A 111 9.494 -8.664 -38.891 1.00 0.00 H new ATOM 0 HB2 HIS A 111 11.372 -10.619 -37.540 1.00 0.00 H new ATOM 0 HB3 HIS A 111 10.176 -9.804 -36.552 1.00 0.00 H new ATOM 0 HD1 HIS A 111 7.811 -10.574 -36.875 1.00 0.00 H new ATOM 0 HD2 HIS A 111 10.250 -12.179 -39.742 1.00 0.00 H new ATOM 0 HE1 HIS A 111 6.447 -12.223 -38.055 1.00 0.00 H new ATOM 1754 N LYS A 112 12.248 -7.686 -37.402 1.00 0.00 N ATOM 1755 CA LYS A 112 12.803 -6.548 -36.641 1.00 0.00 C ATOM 1756 C LYS A 112 12.668 -5.274 -37.466 1.00 0.00 C ATOM 1757 O LYS A 112 12.702 -4.178 -36.938 1.00 0.00 O ATOM 1758 CB LYS A 112 14.295 -6.819 -36.366 1.00 0.00 C ATOM 1759 CG LYS A 112 14.916 -5.587 -35.700 1.00 0.00 C ATOM 1760 CD LYS A 112 16.086 -6.028 -34.813 1.00 0.00 C ATOM 1761 CE LYS A 112 16.856 -4.790 -34.344 1.00 0.00 C ATOM 1762 NZ LYS A 112 17.600 -4.179 -35.480 1.00 0.00 N ATOM 0 H LYS A 112 12.914 -8.419 -37.648 1.00 0.00 H new ATOM 0 HA LYS A 112 12.264 -6.430 -35.701 1.00 0.00 H new ATOM 0 HB2 LYS A 112 14.406 -7.691 -35.721 1.00 0.00 H new ATOM 0 HB3 LYS A 112 14.814 -7.044 -37.298 1.00 0.00 H new ATOM 0 HG2 LYS A 112 15.264 -4.885 -36.458 1.00 0.00 H new ATOM 0 HG3 LYS A 112 14.168 -5.066 -35.103 1.00 0.00 H new ATOM 0 HD2 LYS A 112 15.716 -6.588 -33.954 1.00 0.00 H new ATOM 0 HD3 LYS A 112 16.747 -6.694 -35.367 1.00 0.00 H new ATOM 0 HE2 LYS A 112 16.164 -4.062 -33.921 1.00 0.00 H new ATOM 0 HE3 LYS A 112 17.552 -5.066 -33.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 18.362 -3.575 -35.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 18.009 -4.930 -36.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 16.949 -3.604 -36.052 1.00 0.00 H new ATOM 1776 N CYS A 113 12.508 -5.448 -38.758 1.00 0.00 N ATOM 1777 CA CYS A 113 12.367 -4.272 -39.645 1.00 0.00 C ATOM 1778 C CYS A 113 10.901 -3.889 -39.782 1.00 0.00 C ATOM 1779 O CYS A 113 10.544 -2.731 -39.686 1.00 0.00 O ATOM 1780 CB CYS A 113 12.920 -4.634 -41.036 1.00 0.00 C ATOM 1781 SG CYS A 113 14.215 -3.568 -41.716 1.00 0.00 S ATOM 0 H CYS A 113 12.470 -6.354 -39.225 1.00 0.00 H new ATOM 0 HA CYS A 113 12.917 -3.432 -39.220 1.00 0.00 H new ATOM 0 HB2 CYS A 113 13.309 -5.651 -40.990 1.00 0.00 H new ATOM 0 HB3 CYS A 113 12.087 -4.643 -41.739 1.00 0.00 H new ATOM 0 HG CYS A 113 14.869 -4.213 -42.636 1.00 0.00 H new ATOM 1787 N TRP A 114 10.075 -4.875 -40.009 1.00 0.00 N ATOM 1788 CA TRP A 114 8.634 -4.592 -40.155 1.00 0.00 C ATOM 1789 C TRP A 114 8.083 -3.997 -38.868 1.00 0.00 C ATOM 1790 O TRP A 114 7.058 -3.345 -38.869 1.00 0.00 O ATOM 1791 CB TRP A 114 7.898 -5.917 -40.448 1.00 0.00 C ATOM 1792 CG TRP A 114 7.890 -6.190 -41.969 1.00 0.00 C ATOM 1793 CD1 TRP A 114 7.634 -5.270 -42.895 1.00 0.00 C ATOM 1794 CD2 TRP A 114 8.131 -7.364 -42.526 1.00 0.00 C ATOM 1795 NE1 TRP A 114 7.733 -5.944 -44.054 1.00 0.00 N ATOM 1796 CE2 TRP A 114 8.045 -7.281 -43.907 1.00 0.00 C ATOM 1797 CE3 TRP A 114 8.431 -8.586 -41.937 1.00 0.00 C ATOM 1798 CZ2 TRP A 114 8.256 -8.399 -44.687 1.00 0.00 C ATOM 1799 CZ3 TRP A 114 8.643 -9.703 -42.725 1.00 0.00 C ATOM 1800 CH2 TRP A 114 8.554 -9.608 -44.098 1.00 0.00 C ATOM 0 H TRP A 114 10.341 -5.856 -40.098 1.00 0.00 H new ATOM 0 HA TRP A 114 8.486 -3.882 -40.969 1.00 0.00 H new ATOM 0 HB2 TRP A 114 8.388 -6.738 -39.925 1.00 0.00 H new ATOM 0 HB3 TRP A 114 6.876 -5.865 -40.074 1.00 0.00 H new ATOM 0 HD1 TRP A 114 7.401 -4.225 -42.750 1.00 0.00 H new ATOM 0 HE1 TRP A 114 7.590 -5.505 -44.964 1.00 0.00 H new ATOM 0 HE3 TRP A 114 8.499 -8.664 -40.862 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 8.187 -8.326 -45.762 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 8.879 -10.651 -42.264 1.00 0.00 H new ATOM 0 HH2 TRP A 114 8.718 -10.482 -44.711 1.00 0.00 H new ATOM 1811 N LYS A 115 8.778 -4.232 -37.786 1.00 0.00 N ATOM 1812 CA LYS A 115 8.312 -3.688 -36.486 1.00 0.00 C ATOM 1813 C LYS A 115 8.900 -2.306 -36.232 1.00 0.00 C ATOM 1814 O LYS A 115 8.194 -1.386 -35.867 1.00 0.00 O ATOM 1815 CB LYS A 115 8.776 -4.633 -35.368 1.00 0.00 C ATOM 1816 CG LYS A 115 8.044 -4.268 -34.077 1.00 0.00 C ATOM 1817 CD LYS A 115 8.987 -4.464 -32.894 1.00 0.00 C ATOM 1818 CE LYS A 115 8.315 -3.942 -31.623 1.00 0.00 C ATOM 1819 NZ LYS A 115 8.923 -2.646 -31.206 1.00 0.00 N ATOM 0 H LYS A 115 9.642 -4.774 -37.750 1.00 0.00 H new ATOM 0 HA LYS A 115 7.225 -3.607 -36.507 1.00 0.00 H new ATOM 0 HB2 LYS A 115 8.569 -5.668 -35.639 1.00 0.00 H new ATOM 0 HB3 LYS A 115 9.854 -4.550 -35.227 1.00 0.00 H new ATOM 0 HG2 LYS A 115 7.703 -3.234 -34.118 1.00 0.00 H new ATOM 0 HG3 LYS A 115 7.158 -4.891 -33.958 1.00 0.00 H new ATOM 0 HD2 LYS A 115 9.234 -5.520 -32.782 1.00 0.00 H new ATOM 0 HD3 LYS A 115 9.923 -3.934 -33.068 1.00 0.00 H new ATOM 0 HE2 LYS A 115 7.247 -3.810 -31.797 1.00 0.00 H new ATOM 0 HE3 LYS A 115 8.420 -4.674 -30.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 8.820 -2.529 -30.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 9.933 -2.640 -31.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 8.441 -1.864 -31.693 1.00 0.00 H new ATOM 1833 N GLN A 116 10.188 -2.183 -36.422 1.00 0.00 N ATOM 1834 CA GLN A 116 10.836 -0.867 -36.194 1.00 0.00 C ATOM 1835 C GLN A 116 10.394 0.145 -37.245 1.00 0.00 C ATOM 1836 O GLN A 116 10.318 1.329 -36.978 1.00 0.00 O ATOM 1837 CB GLN A 116 12.358 -1.052 -36.296 1.00 0.00 C ATOM 1838 CG GLN A 116 12.891 -1.588 -34.964 1.00 0.00 C ATOM 1839 CD GLN A 116 13.222 -0.410 -34.042 1.00 0.00 C ATOM 1840 OE1 GLN A 116 14.035 0.435 -34.361 1.00 0.00 O ATOM 1841 NE2 GLN A 116 12.617 -0.318 -32.888 1.00 0.00 N ATOM 0 H GLN A 116 10.811 -2.933 -36.723 1.00 0.00 H new ATOM 0 HA GLN A 116 10.550 -0.496 -35.210 1.00 0.00 H new ATOM 0 HB2 GLN A 116 12.599 -1.744 -37.103 1.00 0.00 H new ATOM 0 HB3 GLN A 116 12.836 -0.103 -36.537 1.00 0.00 H new ATOM 0 HG2 GLN A 116 12.149 -2.234 -34.496 1.00 0.00 H new ATOM 0 HG3 GLN A 116 13.781 -2.194 -35.132 1.00 0.00 H new ATOM 0 HE21 GLN A 116 11.933 -1.023 -32.613 1.00 0.00 H new ATOM 0 HE22 GLN A 116 12.828 0.459 -32.262 1.00 0.00 H new ATOM 1850 N ALA A 117 10.111 -0.337 -38.424 1.00 0.00 N ATOM 1851 CA ALA A 117 9.675 0.584 -39.502 1.00 0.00 C ATOM 1852 C ALA A 117 8.543 1.483 -39.019 1.00 0.00 C ATOM 1853 O ALA A 117 8.668 2.691 -39.004 1.00 0.00 O ATOM 1854 CB ALA A 117 9.166 -0.259 -40.683 1.00 0.00 C ATOM 0 H ALA A 117 10.163 -1.322 -38.683 1.00 0.00 H new ATOM 0 HA ALA A 117 10.517 1.209 -39.799 1.00 0.00 H new ATOM 0 HB1 ALA A 117 8.840 0.401 -41.487 1.00 0.00 H new ATOM 0 HB2 ALA A 117 9.969 -0.902 -41.044 1.00 0.00 H new ATOM 0 HB3 ALA A 117 8.328 -0.874 -40.356 1.00 0.00 H new ATOM 1860 N ASP A 118 7.458 0.874 -38.633 1.00 0.00 N ATOM 1861 CA ASP A 118 6.306 1.669 -38.149 1.00 0.00 C ATOM 1862 C ASP A 118 5.426 0.825 -37.216 1.00 0.00 C ATOM 1863 O ASP A 118 4.518 0.153 -37.662 1.00 0.00 O ATOM 1864 CB ASP A 118 5.465 2.082 -39.369 1.00 0.00 C ATOM 1865 CG ASP A 118 6.374 2.732 -40.417 1.00 0.00 C ATOM 1866 OD1 ASP A 118 6.700 3.889 -40.208 1.00 0.00 O ATOM 1867 OD2 ASP A 118 6.690 2.034 -41.366 1.00 0.00 O ATOM 0 H ASP A 118 7.323 -0.137 -38.633 1.00 0.00 H new ATOM 0 HA ASP A 118 6.670 2.540 -37.604 1.00 0.00 H new ATOM 0 HB2 ASP A 118 4.968 1.210 -39.794 1.00 0.00 H new ATOM 0 HB3 ASP A 118 4.684 2.779 -39.067 1.00 0.00 H new ATOM 1872 N PRO A 119 5.722 0.872 -35.925 1.00 0.00 N ATOM 1873 CA PRO A 119 4.959 0.112 -34.935 1.00 0.00 C ATOM 1874 C PRO A 119 3.495 0.601 -34.855 1.00 0.00 C ATOM 1875 O PRO A 119 3.009 0.991 -33.811 1.00 0.00 O ATOM 1876 CB PRO A 119 5.709 0.353 -33.591 1.00 0.00 C ATOM 1877 CG PRO A 119 6.899 1.316 -33.890 1.00 0.00 C ATOM 1878 CD PRO A 119 6.834 1.673 -35.385 1.00 0.00 C ATOM 0 HA PRO A 119 4.899 -0.946 -35.189 1.00 0.00 H new ATOM 0 HB2 PRO A 119 5.039 0.789 -32.850 1.00 0.00 H new ATOM 0 HB3 PRO A 119 6.071 -0.589 -33.179 1.00 0.00 H new ATOM 0 HG2 PRO A 119 6.830 2.215 -33.277 1.00 0.00 H new ATOM 0 HG3 PRO A 119 7.849 0.839 -33.650 1.00 0.00 H new ATOM 0 HD2 PRO A 119 6.657 2.739 -35.528 1.00 0.00 H new ATOM 0 HD3 PRO A 119 7.771 1.435 -35.888 1.00 0.00 H new ATOM 1886 N LYS A 120 2.823 0.557 -35.975 1.00 0.00 N ATOM 1887 CA LYS A 120 1.407 1.004 -36.006 1.00 0.00 C ATOM 1888 C LYS A 120 0.605 0.147 -36.976 1.00 0.00 C ATOM 1889 O LYS A 120 -0.610 0.192 -36.990 1.00 0.00 O ATOM 1890 CB LYS A 120 1.364 2.461 -36.489 1.00 0.00 C ATOM 1891 CG LYS A 120 1.162 3.384 -35.286 1.00 0.00 C ATOM 1892 CD LYS A 120 -0.321 3.373 -34.891 1.00 0.00 C ATOM 1893 CE LYS A 120 -0.609 4.549 -33.952 1.00 0.00 C ATOM 1894 NZ LYS A 120 -1.984 5.079 -34.187 1.00 0.00 N ATOM 0 H LYS A 120 3.196 0.231 -36.866 1.00 0.00 H new ATOM 0 HA LYS A 120 0.979 0.913 -35.008 1.00 0.00 H new ATOM 0 HB2 LYS A 120 2.291 2.713 -37.004 1.00 0.00 H new ATOM 0 HB3 LYS A 120 0.554 2.595 -37.206 1.00 0.00 H new ATOM 0 HG2 LYS A 120 1.777 3.052 -34.449 1.00 0.00 H new ATOM 0 HG3 LYS A 120 1.479 4.398 -35.532 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -0.946 3.443 -35.781 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -0.570 2.432 -34.400 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -0.509 4.228 -32.915 1.00 0.00 H new ATOM 0 HE3 LYS A 120 0.124 5.339 -34.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -2.164 5.876 -33.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -2.067 5.404 -35.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -2.681 4.327 -34.011 1.00 0.00 H new ATOM 1908 N HIS A 121 1.311 -0.617 -37.771 1.00 0.00 N ATOM 1909 CA HIS A 121 0.633 -1.498 -38.761 1.00 0.00 C ATOM 1910 C HIS A 121 1.216 -2.906 -38.701 1.00 0.00 C ATOM 1911 O HIS A 121 0.805 -3.786 -39.430 1.00 0.00 O ATOM 1912 CB HIS A 121 0.879 -0.920 -40.165 1.00 0.00 C ATOM 1913 CG HIS A 121 0.163 -1.783 -41.208 1.00 0.00 C ATOM 1914 ND1 HIS A 121 -1.095 -2.350 -41.165 1.00 0.00 N flip ATOM 1915 CD2 HIS A 121 0.641 -2.117 -42.312 1.00 0.00 C flip ATOM 1916 CE1 HIS A 121 -1.314 -3.037 -42.319 1.00 0.00 C flip ATOM 1917 NE2 HIS A 121 -0.171 -2.833 -42.972 1.00 0.00 N flip ATOM 0 H HIS A 121 2.330 -0.666 -37.775 1.00 0.00 H new ATOM 0 HA HIS A 121 -0.433 -1.545 -38.538 1.00 0.00 H new ATOM 0 HB2 HIS A 121 0.515 0.106 -40.216 1.00 0.00 H new ATOM 0 HB3 HIS A 121 1.948 -0.890 -40.375 1.00 0.00 H new ATOM 0 HD2 HIS A 121 1.623 -1.832 -42.661 1.00 0.00 H new ATOM 0 HE1 HIS A 121 -2.184 -3.599 -42.625 1.00 0.00 H new ATOM 0 HE2 HIS A 121 0.028 -3.210 -43.898 1.00 0.00 H new ATOM 1925 N TYR A 122 2.169 -3.088 -37.826 1.00 0.00 N ATOM 1926 CA TYR A 122 2.802 -4.424 -37.691 1.00 0.00 C ATOM 1927 C TYR A 122 1.808 -5.451 -37.154 1.00 0.00 C ATOM 1928 O TYR A 122 0.990 -5.146 -36.308 1.00 0.00 O ATOM 1929 CB TYR A 122 3.971 -4.295 -36.700 1.00 0.00 C ATOM 1930 CG TYR A 122 4.713 -5.629 -36.609 1.00 0.00 C ATOM 1931 CD1 TYR A 122 5.263 -6.205 -37.736 1.00 0.00 C ATOM 1932 CD2 TYR A 122 4.847 -6.274 -35.395 1.00 0.00 C ATOM 1933 CE1 TYR A 122 5.936 -7.406 -37.651 1.00 0.00 C ATOM 1934 CE2 TYR A 122 5.520 -7.474 -35.310 1.00 0.00 C ATOM 1935 CZ TYR A 122 6.070 -8.051 -36.437 1.00 0.00 C ATOM 1936 OH TYR A 122 6.741 -9.253 -36.352 1.00 0.00 O ATOM 0 H TYR A 122 2.533 -2.368 -37.202 1.00 0.00 H new ATOM 0 HA TYR A 122 3.145 -4.760 -38.669 1.00 0.00 H new ATOM 0 HB2 TYR A 122 4.653 -3.509 -37.026 1.00 0.00 H new ATOM 0 HB3 TYR A 122 3.598 -4.006 -35.717 1.00 0.00 H new ATOM 0 HD1 TYR A 122 5.166 -5.712 -38.692 1.00 0.00 H new ATOM 0 HD2 TYR A 122 4.421 -5.835 -34.505 1.00 0.00 H new ATOM 0 HE1 TYR A 122 6.362 -7.846 -38.541 1.00 0.00 H new ATOM 0 HE2 TYR A 122 5.618 -7.967 -34.354 1.00 0.00 H new ATOM 0 HH TYR A 122 6.740 -9.563 -35.422 1.00 0.00 H new ATOM 1946 N PHE A 123 1.899 -6.652 -37.658 1.00 0.00 N ATOM 1947 CA PHE A 123 0.971 -7.715 -37.195 1.00 0.00 C ATOM 1948 C PHE A 123 1.499 -8.391 -35.928 1.00 0.00 C ATOM 1949 O PHE A 123 2.261 -7.805 -35.187 1.00 0.00 O ATOM 1950 CB PHE A 123 0.849 -8.761 -38.315 1.00 0.00 C ATOM 1951 CG PHE A 123 -0.204 -8.292 -39.319 1.00 0.00 C ATOM 1952 CD1 PHE A 123 0.097 -7.308 -40.244 1.00 0.00 C ATOM 1953 CD2 PHE A 123 -1.473 -8.844 -39.313 1.00 0.00 C ATOM 1954 CE1 PHE A 123 -0.857 -6.883 -41.146 1.00 0.00 C ATOM 1955 CE2 PHE A 123 -2.425 -8.417 -40.217 1.00 0.00 C ATOM 1956 CZ PHE A 123 -2.116 -7.437 -41.132 1.00 0.00 C ATOM 0 H PHE A 123 2.574 -6.939 -38.367 1.00 0.00 H new ATOM 0 HA PHE A 123 0.002 -7.273 -36.964 1.00 0.00 H new ATOM 0 HB2 PHE A 123 1.810 -8.895 -38.812 1.00 0.00 H new ATOM 0 HB3 PHE A 123 0.568 -9.728 -37.898 1.00 0.00 H new ATOM 0 HD1 PHE A 123 1.084 -6.870 -40.260 1.00 0.00 H new ATOM 0 HD2 PHE A 123 -1.720 -9.614 -38.597 1.00 0.00 H new ATOM 0 HE1 PHE A 123 -0.615 -6.114 -41.864 1.00 0.00 H new ATOM 0 HE2 PHE A 123 -3.413 -8.853 -40.206 1.00 0.00 H new ATOM 0 HZ PHE A 123 -2.861 -7.103 -41.839 1.00 0.00 H new ATOM 1966 N LEU A 124 1.070 -9.610 -35.699 1.00 0.00 N ATOM 1967 CA LEU A 124 1.532 -10.341 -34.492 1.00 0.00 C ATOM 1968 C LEU A 124 1.295 -9.516 -33.233 1.00 0.00 C ATOM 1969 O LEU A 124 2.083 -9.548 -32.311 1.00 0.00 O ATOM 1970 CB LEU A 124 3.042 -10.623 -34.625 1.00 0.00 C ATOM 1971 CG LEU A 124 3.266 -11.703 -35.684 1.00 0.00 C ATOM 1972 CD1 LEU A 124 2.724 -13.038 -35.164 1.00 0.00 C ATOM 1973 CD2 LEU A 124 2.523 -11.316 -36.965 1.00 0.00 C ATOM 0 H LEU A 124 0.422 -10.123 -36.297 1.00 0.00 H new ATOM 0 HA LEU A 124 0.971 -11.272 -34.412 1.00 0.00 H new ATOM 0 HB2 LEU A 124 3.570 -9.711 -34.903 1.00 0.00 H new ATOM 0 HB3 LEU A 124 3.448 -10.948 -33.667 1.00 0.00 H new ATOM 0 HG LEU A 124 4.331 -11.798 -35.895 1.00 0.00 H new ATOM 0 HD11 LEU A 124 2.881 -13.812 -35.915 1.00 0.00 H new ATOM 0 HD12 LEU A 124 3.247 -13.311 -34.247 1.00 0.00 H new ATOM 0 HD13 LEU A 124 1.658 -12.943 -34.959 1.00 0.00 H new ATOM 0 HD21 LEU A 124 2.680 -12.084 -37.723 1.00 0.00 H new ATOM 0 HD22 LEU A 124 1.457 -11.227 -36.755 1.00 0.00 H new ATOM 0 HD23 LEU A 124 2.902 -10.362 -37.331 1.00 0.00 H new ATOM 1985 N VAL A 125 0.210 -8.794 -33.217 1.00 0.00 N ATOM 1986 CA VAL A 125 -0.090 -7.964 -32.027 1.00 0.00 C ATOM 1987 C VAL A 125 -0.468 -8.841 -30.840 1.00 0.00 C ATOM 1988 O VAL A 125 -1.183 -9.800 -31.081 1.00 0.00 O ATOM 1989 CB VAL A 125 -1.276 -7.046 -32.362 1.00 0.00 C ATOM 1990 CG1 VAL A 125 -2.549 -7.887 -32.470 1.00 0.00 C ATOM 1991 CG2 VAL A 125 -1.447 -6.013 -31.245 1.00 0.00 C ATOM 1992 OXT VAL A 125 -0.020 -8.507 -29.756 1.00 0.00 O ATOM 0 H VAL A 125 -0.475 -8.745 -33.972 1.00 0.00 H new ATOM 0 HA VAL A 125 0.794 -7.382 -31.765 1.00 0.00 H new ATOM 0 HB VAL A 125 -1.090 -6.537 -33.308 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -3.393 -7.240 -32.708 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -2.428 -8.630 -33.258 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -2.734 -8.391 -31.521 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -2.288 -5.360 -31.479 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -1.637 -6.525 -30.302 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -0.538 -5.418 -31.158 1.00 0.00 H new TER 2002 VAL A 125