USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 654 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 70 SER OG : rot -100:sc= 0.873 USER MOD Set 1.2: A 72 THR OG1 : rot 135:sc= 0.505 USER MOD Single : A 1 ALA N :NH3+ 144:sc= 0.0236 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 7 GLN : amide:sc= -0.173 K(o=-0.17,f=0.59) USER MOD Single : A 15 SER OG : rot 180:sc= -0.0172 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl -161:sc= -0.803 (180deg=-1.73) USER MOD Single : A 38 SER OG : rot 180:sc= -0.0882 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0611 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -122:sc= -1.36 (180deg=-6.75!) USER MOD Single : A 48 MET CE :methyl -148:sc= -0.0962 (180deg=-0.944) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl -117:sc= -0.0771 (180deg=-0.461) USER MOD Single : A 82 MET CE :methyl -167:sc= 0 (180deg=-0.0908) USER MOD Single : A 85 GLN : amide:sc= -0.0148 X(o=-0.015,f=0) USER MOD Single : A 86 MET CE :methyl 151:sc= -2.12! (180deg=-3.85!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -19.192 16.099 -17.372 1.00 0.00 N ATOM 2 CA ALA A 1 -19.545 14.685 -17.129 1.00 0.00 C ATOM 3 C ALA A 1 -18.362 13.769 -17.544 1.00 0.00 C ATOM 4 O ALA A 1 -17.675 14.034 -18.538 1.00 0.00 O ATOM 5 CB ALA A 1 -20.838 14.330 -17.886 1.00 0.00 C ATOM 0 H1 ALA A 1 -20.036 16.618 -17.690 1.00 0.00 H new ATOM 0 H2 ALA A 1 -18.835 16.524 -16.492 1.00 0.00 H new ATOM 0 H3 ALA A 1 -18.456 16.152 -18.105 1.00 0.00 H new ATOM 0 HA ALA A 1 -19.730 14.528 -16.066 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -21.092 13.286 -17.702 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -21.650 14.968 -17.538 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -20.688 14.484 -18.955 1.00 0.00 H new ATOM 13 N SER A 2 -18.159 12.676 -16.785 1.00 0.00 N ATOM 14 CA SER A 2 -17.122 11.656 -17.090 1.00 0.00 C ATOM 15 C SER A 2 -17.777 10.251 -17.187 1.00 0.00 C ATOM 16 O SER A 2 -19.006 10.123 -17.141 1.00 0.00 O ATOM 17 CB SER A 2 -16.012 11.714 -16.015 1.00 0.00 C ATOM 18 OG SER A 2 -15.223 12.892 -16.145 1.00 0.00 O ATOM 0 H SER A 2 -18.702 12.470 -15.947 1.00 0.00 H new ATOM 0 HA SER A 2 -16.660 11.864 -18.055 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.462 11.684 -15.023 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.373 10.835 -16.102 1.00 0.00 H new ATOM 0 HG SER A 2 -14.531 12.901 -15.451 1.00 0.00 H new ATOM 24 N MET A 3 -16.937 9.210 -17.331 1.00 0.00 N ATOM 25 CA MET A 3 -17.401 7.807 -17.495 1.00 0.00 C ATOM 26 C MET A 3 -17.053 6.998 -16.216 1.00 0.00 C ATOM 27 O MET A 3 -17.934 6.686 -15.406 1.00 0.00 O ATOM 28 CB MET A 3 -16.768 7.191 -18.774 1.00 0.00 C ATOM 29 CG MET A 3 -17.089 7.918 -20.094 1.00 0.00 C ATOM 30 SD MET A 3 -16.672 6.886 -21.520 1.00 0.00 S ATOM 31 CE MET A 3 -14.885 7.109 -21.622 1.00 0.00 C ATOM 0 H MET A 3 -15.922 9.309 -17.338 1.00 0.00 H new ATOM 0 HA MET A 3 -18.483 7.777 -17.622 1.00 0.00 H new ATOM 0 HB2 MET A 3 -15.686 7.168 -18.647 1.00 0.00 H new ATOM 0 HB3 MET A 3 -17.101 6.157 -18.860 1.00 0.00 H new ATOM 0 HG2 MET A 3 -18.148 8.175 -20.124 1.00 0.00 H new ATOM 0 HG3 MET A 3 -16.532 8.854 -20.143 1.00 0.00 H new ATOM 0 HE1 MET A 3 -14.493 6.529 -22.458 1.00 0.00 H new ATOM 0 HE2 MET A 3 -14.658 8.164 -21.774 1.00 0.00 H new ATOM 0 HE3 MET A 3 -14.422 6.769 -20.696 1.00 0.00 H new ATOM 41 N THR A 4 -15.753 6.694 -16.039 1.00 0.00 N ATOM 42 CA THR A 4 -15.252 5.894 -14.889 1.00 0.00 C ATOM 43 C THR A 4 -14.645 6.828 -13.808 1.00 0.00 C ATOM 44 O THR A 4 -13.606 7.463 -14.034 1.00 0.00 O ATOM 45 CB THR A 4 -14.301 4.755 -15.372 1.00 0.00 C ATOM 46 OG1 THR A 4 -15.043 3.822 -16.150 1.00 0.00 O ATOM 47 CG2 THR A 4 -13.528 3.966 -14.296 1.00 0.00 C ATOM 0 H THR A 4 -15.019 6.991 -16.682 1.00 0.00 H new ATOM 0 HA THR A 4 -16.083 5.381 -14.405 1.00 0.00 H new ATOM 0 HB THR A 4 -13.534 5.288 -15.934 1.00 0.00 H new ATOM 0 HG1 THR A 4 -14.448 3.106 -16.457 1.00 0.00 H new ATOM 0 HG21 THR A 4 -12.908 3.208 -14.775 1.00 0.00 H new ATOM 0 HG22 THR A 4 -12.894 4.648 -13.730 1.00 0.00 H new ATOM 0 HG23 THR A 4 -14.235 3.483 -13.621 1.00 0.00 H new ATOM 55 N ASP A 5 -15.316 6.927 -12.646 1.00 0.00 N ATOM 56 CA ASP A 5 -14.898 7.808 -11.525 1.00 0.00 C ATOM 57 C ASP A 5 -13.886 7.070 -10.606 1.00 0.00 C ATOM 58 O ASP A 5 -13.763 7.420 -9.420 1.00 0.00 O ATOM 59 CB ASP A 5 -16.134 8.324 -10.724 1.00 0.00 C ATOM 60 CG ASP A 5 -16.914 9.487 -11.361 1.00 0.00 C ATOM 61 OD1 ASP A 5 -16.742 9.740 -12.575 1.00 0.00 O ATOM 62 OD2 ASP A 5 -17.706 10.145 -10.651 1.00 0.00 O ATOM 0 H ASP A 5 -16.167 6.399 -12.451 1.00 0.00 H new ATOM 0 HA ASP A 5 -14.398 8.683 -11.941 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -16.820 7.490 -10.577 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -15.797 8.637 -9.736 1.00 0.00 H new ATOM 67 N GLN A 6 -13.191 6.045 -11.130 1.00 0.00 N ATOM 68 CA GLN A 6 -12.140 5.300 -10.387 1.00 0.00 C ATOM 69 C GLN A 6 -10.789 6.044 -10.574 1.00 0.00 C ATOM 70 O GLN A 6 -10.031 6.229 -9.615 1.00 0.00 O ATOM 71 CB GLN A 6 -12.078 3.825 -10.876 1.00 0.00 C ATOM 72 CG GLN A 6 -10.674 3.171 -10.900 1.00 0.00 C ATOM 73 CD GLN A 6 -10.683 1.650 -11.133 1.00 0.00 C ATOM 74 OE1 GLN A 6 -11.570 0.937 -10.663 1.00 0.00 O ATOM 75 NE2 GLN A 6 -9.706 1.121 -11.854 1.00 0.00 N ATOM 0 H GLN A 6 -13.337 5.704 -12.080 1.00 0.00 H new ATOM 0 HA GLN A 6 -12.371 5.264 -9.322 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -12.725 3.225 -10.236 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -12.494 3.780 -11.882 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -10.081 3.642 -11.684 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -10.174 3.378 -9.954 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -8.975 1.719 -12.240 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -9.684 0.115 -12.024 1.00 0.00 H new ATOM 84 N GLN A 7 -10.497 6.441 -11.826 1.00 0.00 N ATOM 85 CA GLN A 7 -9.199 7.062 -12.203 1.00 0.00 C ATOM 86 C GLN A 7 -9.303 8.598 -12.000 1.00 0.00 C ATOM 87 O GLN A 7 -8.313 9.258 -11.662 1.00 0.00 O ATOM 88 CB GLN A 7 -8.828 6.750 -13.681 1.00 0.00 C ATOM 89 CG GLN A 7 -8.759 5.254 -14.064 1.00 0.00 C ATOM 90 CD GLN A 7 -9.479 4.950 -15.389 1.00 0.00 C ATOM 91 OE1 GLN A 7 -8.912 4.348 -16.300 1.00 0.00 O ATOM 92 NE2 GLN A 7 -10.731 5.359 -15.529 1.00 0.00 N ATOM 0 H GLN A 7 -11.146 6.344 -12.607 1.00 0.00 H new ATOM 0 HA GLN A 7 -8.415 6.647 -11.570 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -9.558 7.236 -14.328 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -7.860 7.204 -13.895 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -7.715 4.951 -14.144 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -9.204 4.658 -13.268 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -11.193 5.857 -14.768 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -11.233 5.176 -16.398 1.00 0.00 H new ATOM 101 N ALA A 8 -10.510 9.154 -12.217 1.00 0.00 N ATOM 102 CA ALA A 8 -10.771 10.611 -12.071 1.00 0.00 C ATOM 103 C ALA A 8 -10.247 11.118 -10.700 1.00 0.00 C ATOM 104 O ALA A 8 -9.817 12.271 -10.576 1.00 0.00 O ATOM 105 CB ALA A 8 -12.281 10.870 -12.240 1.00 0.00 C ATOM 0 H ALA A 8 -11.330 8.616 -12.497 1.00 0.00 H new ATOM 0 HA ALA A 8 -10.237 11.166 -12.843 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -12.481 11.936 -12.134 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -12.599 10.537 -13.228 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -12.832 10.320 -11.477 1.00 0.00 H new ATOM 111 N GLU A 9 -10.284 10.238 -9.682 1.00 0.00 N ATOM 112 CA GLU A 9 -9.913 10.586 -8.285 1.00 0.00 C ATOM 113 C GLU A 9 -8.378 10.806 -8.197 1.00 0.00 C ATOM 114 O GLU A 9 -7.912 11.770 -7.577 1.00 0.00 O ATOM 115 CB GLU A 9 -10.396 9.504 -7.275 1.00 0.00 C ATOM 116 CG GLU A 9 -11.735 9.783 -6.554 1.00 0.00 C ATOM 117 CD GLU A 9 -11.562 10.097 -5.066 1.00 0.00 C ATOM 118 OE1 GLU A 9 -10.499 10.634 -4.680 1.00 0.00 O ATOM 119 OE2 GLU A 9 -12.484 9.806 -4.273 1.00 0.00 O ATOM 0 H GLU A 9 -10.570 9.266 -9.798 1.00 0.00 H new ATOM 0 HA GLU A 9 -10.417 11.512 -8.009 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.486 8.557 -7.807 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -9.622 9.373 -6.519 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -12.235 10.621 -7.040 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -12.387 8.916 -6.663 1.00 0.00 H new ATOM 126 N ALA A 10 -7.605 9.884 -8.800 1.00 0.00 N ATOM 127 CA ALA A 10 -6.120 9.883 -8.711 1.00 0.00 C ATOM 128 C ALA A 10 -5.519 11.059 -9.531 1.00 0.00 C ATOM 129 O ALA A 10 -4.433 11.558 -9.212 1.00 0.00 O ATOM 130 CB ALA A 10 -5.591 8.519 -9.197 1.00 0.00 C ATOM 0 H ALA A 10 -7.982 9.120 -9.361 1.00 0.00 H new ATOM 0 HA ALA A 10 -5.812 10.029 -7.676 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.503 8.508 -9.136 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -5.998 7.726 -8.569 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.898 8.357 -10.230 1.00 0.00 H new ATOM 136 N ARG A 11 -6.225 11.465 -10.602 1.00 0.00 N ATOM 137 CA ARG A 11 -5.743 12.495 -11.560 1.00 0.00 C ATOM 138 C ARG A 11 -5.884 13.887 -10.886 1.00 0.00 C ATOM 139 O ARG A 11 -5.033 14.766 -11.070 1.00 0.00 O ATOM 140 CB ARG A 11 -6.546 12.425 -12.890 1.00 0.00 C ATOM 141 CG ARG A 11 -6.435 11.082 -13.650 1.00 0.00 C ATOM 142 CD ARG A 11 -6.445 11.261 -15.180 1.00 0.00 C ATOM 143 NE ARG A 11 -5.072 11.246 -15.746 1.00 0.00 N ATOM 144 CZ ARG A 11 -4.621 12.104 -16.684 1.00 0.00 C ATOM 145 NH1 ARG A 11 -5.112 13.331 -16.782 1.00 0.00 N ATOM 146 NH2 ARG A 11 -3.693 11.736 -17.557 1.00 0.00 N ATOM 0 H ARG A 11 -7.146 11.093 -10.834 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.697 12.317 -11.810 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -7.597 12.617 -12.673 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -6.204 13.226 -13.546 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.516 10.577 -13.354 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -7.263 10.435 -13.359 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -7.035 10.465 -15.635 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.932 12.203 -15.433 1.00 0.00 H new ATOM 0 HE ARG A 11 -4.425 10.537 -15.401 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -5.843 13.640 -16.142 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -4.759 13.966 -17.498 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -3.309 10.792 -17.526 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -3.363 12.397 -18.260 1.00 0.00 H new ATOM 160 N ALA A 12 -6.982 14.076 -10.131 1.00 0.00 N ATOM 161 CA ALA A 12 -7.301 15.369 -9.469 1.00 0.00 C ATOM 162 C ALA A 12 -6.369 15.581 -8.244 1.00 0.00 C ATOM 163 O ALA A 12 -6.029 16.718 -7.898 1.00 0.00 O ATOM 164 CB ALA A 12 -8.789 15.379 -9.069 1.00 0.00 C ATOM 0 H ALA A 12 -7.673 13.346 -9.959 1.00 0.00 H new ATOM 0 HA ALA A 12 -7.128 16.197 -10.156 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -9.029 16.325 -8.583 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -9.406 15.262 -9.960 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -8.986 14.557 -8.381 1.00 0.00 H new ATOM 170 N PHE A 13 -5.990 14.471 -7.582 1.00 0.00 N ATOM 171 CA PHE A 13 -5.128 14.504 -6.371 1.00 0.00 C ATOM 172 C PHE A 13 -3.650 14.732 -6.791 1.00 0.00 C ATOM 173 O PHE A 13 -2.891 15.410 -6.089 1.00 0.00 O ATOM 174 CB PHE A 13 -5.340 13.191 -5.563 1.00 0.00 C ATOM 175 CG PHE A 13 -4.696 13.171 -4.162 1.00 0.00 C ATOM 176 CD1 PHE A 13 -3.310 13.020 -4.024 1.00 0.00 C ATOM 177 CD2 PHE A 13 -5.489 13.288 -3.015 1.00 0.00 C ATOM 178 CE1 PHE A 13 -2.731 12.976 -2.759 1.00 0.00 C ATOM 179 CE2 PHE A 13 -4.907 13.242 -1.750 1.00 0.00 C ATOM 180 CZ PHE A 13 -3.529 13.082 -1.623 1.00 0.00 C ATOM 0 H PHE A 13 -6.267 13.530 -7.864 1.00 0.00 H new ATOM 0 HA PHE A 13 -5.400 15.334 -5.718 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -6.411 13.018 -5.456 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -4.939 12.359 -6.141 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -2.688 12.937 -4.903 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -6.557 13.415 -3.111 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.662 12.860 -2.659 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -5.524 13.330 -0.868 1.00 0.00 H new ATOM 0 HZ PHE A 13 -3.079 13.040 -0.642 1.00 0.00 H new ATOM 190 N LEU A 14 -3.265 14.154 -7.944 1.00 0.00 N ATOM 191 CA LEU A 14 -1.866 14.184 -8.445 1.00 0.00 C ATOM 192 C LEU A 14 -1.797 15.207 -9.613 1.00 0.00 C ATOM 193 O LEU A 14 -2.370 14.980 -10.684 1.00 0.00 O ATOM 194 CB LEU A 14 -1.402 12.765 -8.890 1.00 0.00 C ATOM 195 CG LEU A 14 -1.679 11.581 -7.919 1.00 0.00 C ATOM 196 CD1 LEU A 14 -1.902 10.265 -8.691 1.00 0.00 C ATOM 197 CD2 LEU A 14 -0.556 11.394 -6.878 1.00 0.00 C ATOM 0 H LEU A 14 -3.908 13.653 -8.557 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.187 14.493 -7.651 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.881 12.538 -9.842 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.328 12.805 -9.074 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.591 11.837 -7.380 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.093 9.457 -7.985 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.758 10.375 -9.357 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.013 10.032 -9.277 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.800 10.555 -6.226 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.385 11.194 -7.390 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.459 12.301 -6.281 1.00 0.00 H new ATOM 209 N SER A 15 -1.063 16.313 -9.393 1.00 0.00 N ATOM 210 CA SER A 15 -0.893 17.390 -10.404 1.00 0.00 C ATOM 211 C SER A 15 -0.050 16.863 -11.597 1.00 0.00 C ATOM 212 O SER A 15 0.110 15.649 -11.770 1.00 0.00 O ATOM 213 CB SER A 15 -0.254 18.628 -9.734 1.00 0.00 C ATOM 214 OG SER A 15 1.168 18.543 -9.732 1.00 0.00 O ATOM 0 H SER A 15 -0.571 16.491 -8.517 1.00 0.00 H new ATOM 0 HA SER A 15 -1.862 17.693 -10.801 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.565 19.530 -10.261 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.616 18.717 -8.710 1.00 0.00 H new ATOM 0 HG SER A 15 1.543 19.341 -9.303 1.00 0.00 H new ATOM 220 N GLU A 16 0.455 17.793 -12.429 1.00 0.00 N ATOM 221 CA GLU A 16 1.254 17.456 -13.637 1.00 0.00 C ATOM 222 C GLU A 16 2.688 17.064 -13.188 1.00 0.00 C ATOM 223 O GLU A 16 3.306 16.164 -13.769 1.00 0.00 O ATOM 224 CB GLU A 16 1.220 18.635 -14.653 1.00 0.00 C ATOM 225 CG GLU A 16 2.265 18.595 -15.792 1.00 0.00 C ATOM 226 CD GLU A 16 2.257 19.834 -16.694 1.00 0.00 C ATOM 227 OE1 GLU A 16 1.510 19.847 -17.697 1.00 0.00 O ATOM 228 OE2 GLU A 16 2.999 20.798 -16.404 1.00 0.00 O ATOM 0 H GLU A 16 0.325 18.795 -12.290 1.00 0.00 H new ATOM 0 HA GLU A 16 0.828 16.601 -14.162 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.227 18.670 -15.102 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.353 19.565 -14.101 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.258 18.483 -15.356 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.085 17.712 -16.405 1.00 0.00 H new ATOM 235 N GLU A 17 3.196 17.760 -12.149 1.00 0.00 N ATOM 236 CA GLU A 17 4.592 17.582 -11.665 1.00 0.00 C ATOM 237 C GLU A 17 4.646 16.293 -10.799 1.00 0.00 C ATOM 238 O GLU A 17 5.630 15.546 -10.841 1.00 0.00 O ATOM 239 CB GLU A 17 5.089 18.854 -10.916 1.00 0.00 C ATOM 240 CG GLU A 17 4.876 20.207 -11.634 1.00 0.00 C ATOM 241 CD GLU A 17 4.379 21.331 -10.720 1.00 0.00 C ATOM 242 OE1 GLU A 17 3.152 21.429 -10.495 1.00 0.00 O ATOM 243 OE2 GLU A 17 5.212 22.119 -10.220 1.00 0.00 O ATOM 0 H GLU A 17 2.663 18.453 -11.624 1.00 0.00 H new ATOM 0 HA GLU A 17 5.278 17.457 -12.503 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.587 18.898 -9.949 1.00 0.00 H new ATOM 0 HB3 GLU A 17 6.154 18.738 -10.717 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.816 20.515 -12.091 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.159 20.067 -12.443 1.00 0.00 H new ATOM 250 N MET A 18 3.563 16.036 -10.043 1.00 0.00 N ATOM 251 CA MET A 18 3.440 14.827 -9.186 1.00 0.00 C ATOM 252 C MET A 18 3.479 13.581 -10.113 1.00 0.00 C ATOM 253 O MET A 18 4.103 12.566 -9.780 1.00 0.00 O ATOM 254 CB MET A 18 2.152 14.873 -8.316 1.00 0.00 C ATOM 255 CG MET A 18 2.092 15.997 -7.264 1.00 0.00 C ATOM 256 SD MET A 18 2.748 15.406 -5.688 1.00 0.00 S ATOM 257 CE MET A 18 3.047 16.962 -4.824 1.00 0.00 C ATOM 0 H MET A 18 2.750 16.651 -10.004 1.00 0.00 H new ATOM 0 HA MET A 18 4.269 14.780 -8.480 1.00 0.00 H new ATOM 0 HB2 MET A 18 1.292 14.975 -8.978 1.00 0.00 H new ATOM 0 HB3 MET A 18 2.048 13.916 -7.804 1.00 0.00 H new ATOM 0 HG2 MET A 18 2.667 16.858 -7.606 1.00 0.00 H new ATOM 0 HG3 MET A 18 1.063 16.332 -7.136 1.00 0.00 H new ATOM 0 HE1 MET A 18 3.454 16.756 -3.834 1.00 0.00 H new ATOM 0 HE2 MET A 18 3.759 17.562 -5.391 1.00 0.00 H new ATOM 0 HE3 MET A 18 2.109 17.509 -4.724 1.00 0.00 H new ATOM 267 N ILE A 19 2.802 13.678 -11.272 1.00 0.00 N ATOM 268 CA ILE A 19 2.649 12.547 -12.226 1.00 0.00 C ATOM 269 C ILE A 19 4.055 12.295 -12.835 1.00 0.00 C ATOM 270 O ILE A 19 4.415 11.148 -13.129 1.00 0.00 O ATOM 271 CB ILE A 19 1.508 12.814 -13.279 1.00 0.00 C ATOM 272 CG1 ILE A 19 0.150 12.157 -12.876 1.00 0.00 C ATOM 273 CG2 ILE A 19 1.907 12.374 -14.714 1.00 0.00 C ATOM 274 CD1 ILE A 19 -0.751 12.991 -11.951 1.00 0.00 C ATOM 0 H ILE A 19 2.345 14.536 -11.579 1.00 0.00 H new ATOM 0 HA ILE A 19 2.312 11.637 -11.729 1.00 0.00 H new ATOM 0 HB ILE A 19 1.370 13.895 -13.282 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.406 11.931 -13.786 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.360 11.206 -12.386 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.085 12.580 -15.400 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.792 12.926 -15.031 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.125 11.306 -14.720 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.665 12.437 -11.737 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.225 13.196 -11.019 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.003 13.932 -12.440 1.00 0.00 H new ATOM 286 N ALA A 20 4.825 13.378 -13.050 1.00 0.00 N ATOM 287 CA ALA A 20 6.165 13.308 -13.694 1.00 0.00 C ATOM 288 C ALA A 20 7.100 12.362 -12.893 1.00 0.00 C ATOM 289 O ALA A 20 7.905 11.627 -13.477 1.00 0.00 O ATOM 290 CB ALA A 20 6.744 14.733 -13.802 1.00 0.00 C ATOM 0 H ALA A 20 4.545 14.323 -12.787 1.00 0.00 H new ATOM 0 HA ALA A 20 6.077 12.894 -14.699 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.726 14.692 -14.273 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.078 15.351 -14.404 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.837 15.164 -12.805 1.00 0.00 H new ATOM 296 N GLU A 21 7.000 12.418 -11.552 1.00 0.00 N ATOM 297 CA GLU A 21 7.898 11.662 -10.639 1.00 0.00 C ATOM 298 C GLU A 21 7.811 10.154 -11.002 1.00 0.00 C ATOM 299 O GLU A 21 8.814 9.433 -10.969 1.00 0.00 O ATOM 300 CB GLU A 21 7.540 11.968 -9.156 1.00 0.00 C ATOM 301 CG GLU A 21 7.715 13.433 -8.692 1.00 0.00 C ATOM 302 CD GLU A 21 7.432 13.658 -7.203 1.00 0.00 C ATOM 303 OE1 GLU A 21 6.266 13.935 -6.843 1.00 0.00 O ATOM 304 OE2 GLU A 21 8.375 13.562 -6.387 1.00 0.00 O ATOM 0 H GLU A 21 6.302 12.982 -11.067 1.00 0.00 H new ATOM 0 HA GLU A 21 8.936 11.972 -10.762 1.00 0.00 H new ATOM 0 HB2 GLU A 21 6.502 11.679 -8.989 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.155 11.332 -8.519 1.00 0.00 H new ATOM 0 HG2 GLU A 21 8.735 13.752 -8.909 1.00 0.00 H new ATOM 0 HG3 GLU A 21 7.051 14.069 -9.277 1.00 0.00 H new ATOM 311 N PHE A 22 6.587 9.690 -11.318 1.00 0.00 N ATOM 312 CA PHE A 22 6.301 8.258 -11.598 1.00 0.00 C ATOM 313 C PHE A 22 6.634 7.955 -13.085 1.00 0.00 C ATOM 314 O PHE A 22 6.933 6.805 -13.434 1.00 0.00 O ATOM 315 CB PHE A 22 4.820 7.920 -11.247 1.00 0.00 C ATOM 316 CG PHE A 22 4.394 8.266 -9.805 1.00 0.00 C ATOM 317 CD1 PHE A 22 4.650 7.375 -8.756 1.00 0.00 C ATOM 318 CD2 PHE A 22 3.768 9.487 -9.527 1.00 0.00 C ATOM 319 CE1 PHE A 22 4.338 7.726 -7.444 1.00 0.00 C ATOM 320 CE2 PHE A 22 3.454 9.834 -8.215 1.00 0.00 C ATOM 321 CZ PHE A 22 3.765 8.966 -7.172 1.00 0.00 C ATOM 0 H PHE A 22 5.766 10.291 -11.388 1.00 0.00 H new ATOM 0 HA PHE A 22 6.927 7.623 -10.971 1.00 0.00 H new ATOM 0 HB2 PHE A 22 4.168 8.452 -11.940 1.00 0.00 H new ATOM 0 HB3 PHE A 22 4.658 6.855 -11.412 1.00 0.00 H new ATOM 0 HD1 PHE A 22 5.091 6.412 -8.964 1.00 0.00 H new ATOM 0 HD2 PHE A 22 3.527 10.163 -10.334 1.00 0.00 H new ATOM 0 HE1 PHE A 22 4.541 7.036 -6.638 1.00 0.00 H new ATOM 0 HE2 PHE A 22 2.969 10.776 -8.007 1.00 0.00 H new ATOM 0 HZ PHE A 22 3.562 9.254 -6.151 1.00 0.00 H new ATOM 331 N LYS A 23 6.549 8.981 -13.951 1.00 0.00 N ATOM 332 CA LYS A 23 6.752 8.844 -15.419 1.00 0.00 C ATOM 333 C LYS A 23 8.056 8.035 -15.655 1.00 0.00 C ATOM 334 O LYS A 23 8.121 7.189 -16.554 1.00 0.00 O ATOM 335 CB LYS A 23 6.829 10.238 -16.111 1.00 0.00 C ATOM 336 CG LYS A 23 5.736 10.577 -17.152 1.00 0.00 C ATOM 337 CD LYS A 23 5.514 12.087 -17.388 1.00 0.00 C ATOM 338 CE LYS A 23 4.951 12.395 -18.787 1.00 0.00 C ATOM 339 NZ LYS A 23 4.148 13.630 -18.786 1.00 0.00 N ATOM 0 H LYS A 23 6.337 9.935 -13.659 1.00 0.00 H new ATOM 0 HA LYS A 23 5.904 8.319 -15.859 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.803 11.002 -15.334 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.799 10.317 -16.603 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.000 10.110 -18.101 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.795 10.132 -16.829 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.828 12.471 -16.633 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.460 12.613 -17.258 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.772 12.494 -19.497 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.337 11.561 -19.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 3.784 13.808 -19.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 3.351 13.525 -18.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 4.742 14.430 -18.487 1.00 0.00 H new ATOM 353 N ALA A 24 9.087 8.311 -14.834 1.00 0.00 N ATOM 354 CA ALA A 24 10.425 7.675 -14.972 1.00 0.00 C ATOM 355 C ALA A 24 10.306 6.142 -14.757 1.00 0.00 C ATOM 356 O ALA A 24 10.735 5.345 -15.601 1.00 0.00 O ATOM 357 CB ALA A 24 11.399 8.323 -13.969 1.00 0.00 C ATOM 0 H ALA A 24 9.025 8.974 -14.061 1.00 0.00 H new ATOM 0 HA ALA A 24 10.817 7.834 -15.977 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.381 7.861 -14.065 1.00 0.00 H new ATOM 0 HB2 ALA A 24 11.478 9.390 -14.176 1.00 0.00 H new ATOM 0 HB3 ALA A 24 11.027 8.177 -12.955 1.00 0.00 H new ATOM 363 N ALA A 25 9.724 5.744 -13.609 1.00 0.00 N ATOM 364 CA ALA A 25 9.623 4.318 -13.202 1.00 0.00 C ATOM 365 C ALA A 25 8.344 3.654 -13.784 1.00 0.00 C ATOM 366 O ALA A 25 7.904 2.612 -13.275 1.00 0.00 O ATOM 367 CB ALA A 25 9.646 4.240 -11.660 1.00 0.00 C ATOM 0 H ALA A 25 9.312 6.392 -12.938 1.00 0.00 H new ATOM 0 HA ALA A 25 10.472 3.765 -13.604 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.572 3.198 -11.347 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.578 4.666 -11.288 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.804 4.801 -11.255 1.00 0.00 H new ATOM 373 N PHE A 26 7.759 4.251 -14.838 1.00 0.00 N ATOM 374 CA PHE A 26 6.601 3.669 -15.566 1.00 0.00 C ATOM 375 C PHE A 26 7.150 2.720 -16.666 1.00 0.00 C ATOM 376 O PHE A 26 6.581 1.656 -16.933 1.00 0.00 O ATOM 377 CB PHE A 26 5.697 4.792 -16.157 1.00 0.00 C ATOM 378 CG PHE A 26 4.571 4.309 -17.093 1.00 0.00 C ATOM 379 CD1 PHE A 26 3.559 3.472 -16.608 1.00 0.00 C ATOM 380 CD2 PHE A 26 4.557 4.688 -18.441 1.00 0.00 C ATOM 381 CE1 PHE A 26 2.568 2.998 -17.463 1.00 0.00 C ATOM 382 CE2 PHE A 26 3.568 4.207 -19.296 1.00 0.00 C ATOM 383 CZ PHE A 26 2.573 3.365 -18.806 1.00 0.00 C ATOM 0 H PHE A 26 8.069 5.147 -15.213 1.00 0.00 H new ATOM 0 HA PHE A 26 5.971 3.097 -14.884 1.00 0.00 H new ATOM 0 HB2 PHE A 26 5.249 5.346 -15.332 1.00 0.00 H new ATOM 0 HB3 PHE A 26 6.327 5.492 -16.706 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.547 3.193 -15.565 1.00 0.00 H new ATOM 0 HD2 PHE A 26 5.316 5.356 -18.819 1.00 0.00 H new ATOM 0 HE1 PHE A 26 1.795 2.345 -17.084 1.00 0.00 H new ATOM 0 HE2 PHE A 26 3.573 4.487 -20.339 1.00 0.00 H new ATOM 0 HZ PHE A 26 1.804 2.996 -19.469 1.00 0.00 H new ATOM 393 N ASP A 27 8.255 3.141 -17.312 1.00 0.00 N ATOM 394 CA ASP A 27 8.884 2.387 -18.428 1.00 0.00 C ATOM 395 C ASP A 27 9.628 1.156 -17.839 1.00 0.00 C ATOM 396 O ASP A 27 9.714 0.106 -18.487 1.00 0.00 O ATOM 397 CB ASP A 27 9.812 3.296 -19.284 1.00 0.00 C ATOM 398 CG ASP A 27 11.295 3.326 -18.874 1.00 0.00 C ATOM 399 OD1 ASP A 27 12.056 2.428 -19.295 1.00 0.00 O ATOM 400 OD2 ASP A 27 11.699 4.244 -18.126 1.00 0.00 O ATOM 0 H ASP A 27 8.739 4.008 -17.081 1.00 0.00 H new ATOM 0 HA ASP A 27 8.113 2.033 -19.113 1.00 0.00 H new ATOM 0 HB2 ASP A 27 9.749 2.970 -20.322 1.00 0.00 H new ATOM 0 HB3 ASP A 27 9.425 4.314 -19.246 1.00 0.00 H new ATOM 405 N MET A 28 10.182 1.317 -16.621 1.00 0.00 N ATOM 406 CA MET A 28 10.929 0.235 -15.922 1.00 0.00 C ATOM 407 C MET A 28 10.053 -1.046 -15.964 1.00 0.00 C ATOM 408 O MET A 28 10.550 -2.145 -16.237 1.00 0.00 O ATOM 409 CB MET A 28 11.310 0.637 -14.469 1.00 0.00 C ATOM 410 CG MET A 28 12.585 -0.018 -13.904 1.00 0.00 C ATOM 411 SD MET A 28 12.516 -0.054 -12.099 1.00 0.00 S ATOM 412 CE MET A 28 11.661 1.496 -11.747 1.00 0.00 C ATOM 0 H MET A 28 10.129 2.188 -16.093 1.00 0.00 H new ATOM 0 HA MET A 28 11.877 0.050 -16.428 1.00 0.00 H new ATOM 0 HB2 MET A 28 11.434 1.719 -14.432 1.00 0.00 H new ATOM 0 HB3 MET A 28 10.476 0.389 -13.813 1.00 0.00 H new ATOM 0 HG2 MET A 28 12.685 -1.032 -14.292 1.00 0.00 H new ATOM 0 HG3 MET A 28 13.464 0.537 -14.231 1.00 0.00 H new ATOM 0 HE1 MET A 28 11.837 1.781 -10.710 1.00 0.00 H new ATOM 0 HE2 MET A 28 12.038 2.277 -12.407 1.00 0.00 H new ATOM 0 HE3 MET A 28 10.591 1.367 -11.911 1.00 0.00 H new ATOM 422 N PHE A 29 8.746 -0.884 -15.682 1.00 0.00 N ATOM 423 CA PHE A 29 7.775 -2.010 -15.663 1.00 0.00 C ATOM 424 C PHE A 29 7.567 -2.505 -17.120 1.00 0.00 C ATOM 425 O PHE A 29 7.528 -3.714 -17.377 1.00 0.00 O ATOM 426 CB PHE A 29 6.437 -1.575 -14.996 1.00 0.00 C ATOM 427 CG PHE A 29 6.354 -1.807 -13.473 1.00 0.00 C ATOM 428 CD1 PHE A 29 7.311 -1.244 -12.621 1.00 0.00 C ATOM 429 CD2 PHE A 29 5.325 -2.584 -12.929 1.00 0.00 C ATOM 430 CE1 PHE A 29 7.241 -1.459 -11.246 1.00 0.00 C ATOM 431 CE2 PHE A 29 5.257 -2.797 -11.554 1.00 0.00 C ATOM 432 CZ PHE A 29 6.213 -2.233 -10.714 1.00 0.00 C ATOM 0 H PHE A 29 8.330 0.021 -15.462 1.00 0.00 H new ATOM 0 HA PHE A 29 8.165 -2.833 -15.064 1.00 0.00 H new ATOM 0 HB2 PHE A 29 6.279 -0.515 -15.195 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.619 -2.114 -15.474 1.00 0.00 H new ATOM 0 HD1 PHE A 29 8.107 -0.640 -13.031 1.00 0.00 H new ATOM 0 HD2 PHE A 29 4.580 -3.020 -13.578 1.00 0.00 H new ATOM 0 HE1 PHE A 29 7.984 -1.025 -10.593 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.462 -3.400 -11.140 1.00 0.00 H new ATOM 0 HZ PHE A 29 6.157 -2.396 -9.648 1.00 0.00 H new ATOM 442 N ASP A 30 7.465 -1.552 -18.065 1.00 0.00 N ATOM 443 CA ASP A 30 7.297 -1.857 -19.511 1.00 0.00 C ATOM 444 C ASP A 30 8.630 -2.439 -20.056 1.00 0.00 C ATOM 445 O ASP A 30 9.648 -2.450 -19.354 1.00 0.00 O ATOM 446 CB ASP A 30 6.818 -0.609 -20.309 1.00 0.00 C ATOM 447 CG ASP A 30 6.131 -0.891 -21.656 1.00 0.00 C ATOM 448 OD1 ASP A 30 5.425 -1.916 -21.774 1.00 0.00 O ATOM 449 OD2 ASP A 30 6.293 -0.083 -22.598 1.00 0.00 O ATOM 0 H ASP A 30 7.496 -0.554 -17.857 1.00 0.00 H new ATOM 0 HA ASP A 30 6.513 -2.604 -19.639 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.127 -0.045 -19.682 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.679 0.034 -20.491 1.00 0.00 H new ATOM 454 N ALA A 31 8.595 -2.945 -21.303 1.00 0.00 N ATOM 455 CA ALA A 31 9.785 -3.540 -21.970 1.00 0.00 C ATOM 456 C ALA A 31 9.838 -3.125 -23.468 1.00 0.00 C ATOM 457 O ALA A 31 10.401 -3.845 -24.301 1.00 0.00 O ATOM 458 CB ALA A 31 9.737 -5.071 -21.804 1.00 0.00 C ATOM 0 H ALA A 31 7.753 -2.957 -21.878 1.00 0.00 H new ATOM 0 HA ALA A 31 10.697 -3.166 -21.504 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.605 -5.517 -22.289 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.745 -5.322 -20.743 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.827 -5.458 -22.262 1.00 0.00 H new ATOM 464 N ASP A 32 9.219 -1.975 -23.791 1.00 0.00 N ATOM 465 CA ASP A 32 9.113 -1.463 -25.183 1.00 0.00 C ATOM 466 C ASP A 32 9.662 -0.011 -25.222 1.00 0.00 C ATOM 467 O ASP A 32 10.739 0.244 -25.775 1.00 0.00 O ATOM 468 CB ASP A 32 7.658 -1.570 -25.725 1.00 0.00 C ATOM 469 CG ASP A 32 7.276 -2.909 -26.378 1.00 0.00 C ATOM 470 OD1 ASP A 32 7.696 -3.162 -27.529 1.00 0.00 O ATOM 471 OD2 ASP A 32 6.560 -3.712 -25.741 1.00 0.00 O ATOM 0 H ASP A 32 8.776 -1.370 -23.100 1.00 0.00 H new ATOM 0 HA ASP A 32 9.716 -2.080 -25.849 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.970 -1.382 -24.901 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.505 -0.776 -26.456 1.00 0.00 H new ATOM 476 N GLY A 33 8.903 0.933 -24.634 1.00 0.00 N ATOM 477 CA GLY A 33 9.285 2.370 -24.600 1.00 0.00 C ATOM 478 C GLY A 33 8.041 3.289 -24.471 1.00 0.00 C ATOM 479 O GLY A 33 7.800 4.158 -25.318 1.00 0.00 O ATOM 0 H GLY A 33 8.016 0.731 -24.172 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.958 2.548 -23.762 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.832 2.623 -25.508 1.00 0.00 H new ATOM 483 N GLY A 34 7.271 3.102 -23.381 1.00 0.00 N ATOM 484 CA GLY A 34 6.072 3.930 -23.093 1.00 0.00 C ATOM 485 C GLY A 34 4.865 3.425 -23.924 1.00 0.00 C ATOM 486 O GLY A 34 5.004 3.075 -25.102 1.00 0.00 O ATOM 0 H GLY A 34 7.455 2.384 -22.681 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.836 3.885 -22.030 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.276 4.974 -23.330 1.00 0.00 H new ATOM 490 N GLY A 35 3.676 3.393 -23.290 1.00 0.00 N ATOM 491 CA GLY A 35 2.408 3.039 -23.975 1.00 0.00 C ATOM 492 C GLY A 35 1.474 2.261 -23.013 1.00 0.00 C ATOM 493 O GLY A 35 0.364 2.714 -22.704 1.00 0.00 O ATOM 0 H GLY A 35 3.563 3.609 -22.299 1.00 0.00 H new ATOM 0 HA2 GLY A 35 1.910 3.944 -24.323 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.620 2.433 -24.856 1.00 0.00 H new ATOM 497 N ASP A 36 1.944 1.088 -22.548 1.00 0.00 N ATOM 498 CA ASP A 36 1.142 0.163 -21.705 1.00 0.00 C ATOM 499 C ASP A 36 1.986 -1.110 -21.420 1.00 0.00 C ATOM 500 O ASP A 36 2.703 -1.602 -22.300 1.00 0.00 O ATOM 501 CB ASP A 36 -0.233 -0.164 -22.358 1.00 0.00 C ATOM 502 CG ASP A 36 -0.377 0.192 -23.847 1.00 0.00 C ATOM 503 OD1 ASP A 36 0.484 -0.220 -24.656 1.00 0.00 O ATOM 504 OD2 ASP A 36 -1.349 0.892 -24.210 1.00 0.00 O ATOM 0 H ASP A 36 2.887 0.750 -22.742 1.00 0.00 H new ATOM 0 HA ASP A 36 0.906 0.644 -20.756 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -0.424 -1.231 -22.240 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -1.010 0.362 -21.803 1.00 0.00 H new ATOM 509 N ILE A 37 1.912 -1.614 -20.174 1.00 0.00 N ATOM 510 CA ILE A 37 2.608 -2.854 -19.736 1.00 0.00 C ATOM 511 C ILE A 37 1.613 -4.044 -19.795 1.00 0.00 C ATOM 512 O ILE A 37 0.391 -3.847 -19.850 1.00 0.00 O ATOM 513 CB ILE A 37 3.319 -2.724 -18.337 1.00 0.00 C ATOM 514 CG1 ILE A 37 4.203 -1.450 -18.152 1.00 0.00 C ATOM 515 CG2 ILE A 37 4.100 -4.016 -17.983 1.00 0.00 C ATOM 516 CD1 ILE A 37 3.886 -0.589 -16.918 1.00 0.00 C ATOM 0 H ILE A 37 1.366 -1.175 -19.433 1.00 0.00 H new ATOM 0 HA ILE A 37 3.428 -3.040 -20.430 1.00 0.00 H new ATOM 0 HB ILE A 37 2.505 -2.592 -17.624 1.00 0.00 H new ATOM 0 HG12 ILE A 37 5.247 -1.760 -18.097 1.00 0.00 H new ATOM 0 HG13 ILE A 37 4.101 -0.828 -19.041 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.580 -3.896 -17.012 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.410 -4.859 -17.945 1.00 0.00 H new ATOM 0 HG23 ILE A 37 4.859 -4.202 -18.743 1.00 0.00 H new ATOM 0 HD11 ILE A 37 4.559 0.268 -16.889 1.00 0.00 H new ATOM 0 HD12 ILE A 37 2.855 -0.239 -16.974 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.018 -1.185 -16.015 1.00 0.00 H new ATOM 528 N SER A 38 2.142 -5.282 -19.753 1.00 0.00 N ATOM 529 CA SER A 38 1.324 -6.524 -19.713 1.00 0.00 C ATOM 530 C SER A 38 1.846 -7.459 -18.588 1.00 0.00 C ATOM 531 O SER A 38 2.483 -7.002 -17.633 1.00 0.00 O ATOM 532 CB SER A 38 1.350 -7.201 -21.103 1.00 0.00 C ATOM 533 OG SER A 38 2.491 -8.041 -21.251 1.00 0.00 O ATOM 0 H SER A 38 3.147 -5.456 -19.746 1.00 0.00 H new ATOM 0 HA SER A 38 0.285 -6.288 -19.481 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.443 -7.790 -21.240 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.355 -6.438 -21.881 1.00 0.00 H new ATOM 0 HG SER A 38 2.479 -8.456 -22.139 1.00 0.00 H new ATOM 539 N THR A 39 1.536 -8.764 -18.710 1.00 0.00 N ATOM 540 CA THR A 39 1.951 -9.800 -17.728 1.00 0.00 C ATOM 541 C THR A 39 3.439 -10.164 -17.985 1.00 0.00 C ATOM 542 O THR A 39 4.212 -10.364 -17.039 1.00 0.00 O ATOM 543 CB THR A 39 1.012 -11.047 -17.756 1.00 0.00 C ATOM 544 OG1 THR A 39 0.311 -11.124 -18.995 1.00 0.00 O ATOM 545 CG2 THR A 39 -0.026 -11.111 -16.619 1.00 0.00 C ATOM 0 H THR A 39 0.992 -9.135 -19.489 1.00 0.00 H new ATOM 0 HA THR A 39 1.859 -9.398 -16.719 1.00 0.00 H new ATOM 0 HB THR A 39 1.689 -11.891 -17.620 1.00 0.00 H new ATOM 0 HG1 THR A 39 -0.271 -11.913 -18.993 1.00 0.00 H new ATOM 0 HG21 THR A 39 -0.629 -12.013 -16.727 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.488 -11.131 -15.658 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.672 -10.235 -16.667 1.00 0.00 H new ATOM 553 N LYS A 40 3.826 -10.248 -19.272 1.00 0.00 N ATOM 554 CA LYS A 40 5.217 -10.588 -19.678 1.00 0.00 C ATOM 555 C LYS A 40 6.154 -9.423 -19.257 1.00 0.00 C ATOM 556 O LYS A 40 7.042 -9.599 -18.415 1.00 0.00 O ATOM 557 CB LYS A 40 5.245 -10.897 -21.203 1.00 0.00 C ATOM 558 CG LYS A 40 6.643 -11.014 -21.862 1.00 0.00 C ATOM 559 CD LYS A 40 6.768 -11.730 -23.229 1.00 0.00 C ATOM 560 CE LYS A 40 6.259 -10.961 -24.467 1.00 0.00 C ATOM 561 NZ LYS A 40 5.217 -11.676 -25.224 1.00 0.00 N ATOM 0 H LYS A 40 3.196 -10.085 -20.058 1.00 0.00 H new ATOM 0 HA LYS A 40 5.578 -11.486 -19.176 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.710 -11.832 -21.371 1.00 0.00 H new ATOM 0 HB3 LYS A 40 4.689 -10.114 -21.719 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.037 -10.005 -21.981 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.297 -11.530 -21.159 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.818 -11.975 -23.389 1.00 0.00 H new ATOM 0 HD3 LYS A 40 6.226 -12.674 -23.169 1.00 0.00 H new ATOM 0 HE2 LYS A 40 5.865 -9.996 -24.147 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.101 -10.758 -25.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 4.924 -11.101 -26.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 5.594 -12.585 -25.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 4.396 -11.847 -24.608 1.00 0.00 H new ATOM 575 N GLU A 41 5.957 -8.246 -19.881 1.00 0.00 N ATOM 576 CA GLU A 41 6.828 -7.060 -19.667 1.00 0.00 C ATOM 577 C GLU A 41 6.937 -6.783 -18.143 1.00 0.00 C ATOM 578 O GLU A 41 8.018 -6.462 -17.634 1.00 0.00 O ATOM 579 CB GLU A 41 6.315 -5.826 -20.465 1.00 0.00 C ATOM 580 CG GLU A 41 4.967 -5.958 -21.218 1.00 0.00 C ATOM 581 CD GLU A 41 4.886 -5.134 -22.508 1.00 0.00 C ATOM 582 OE1 GLU A 41 5.941 -4.879 -23.130 1.00 0.00 O ATOM 583 OE2 GLU A 41 3.767 -4.738 -22.903 1.00 0.00 O ATOM 0 H GLU A 41 5.198 -8.084 -20.543 1.00 0.00 H new ATOM 0 HA GLU A 41 7.827 -7.265 -20.051 1.00 0.00 H new ATOM 0 HB2 GLU A 41 6.229 -4.991 -19.770 1.00 0.00 H new ATOM 0 HB3 GLU A 41 7.080 -5.557 -21.194 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.799 -7.008 -21.459 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.160 -5.651 -20.553 1.00 0.00 H new ATOM 590 N LEU A 42 5.796 -6.883 -17.435 1.00 0.00 N ATOM 591 CA LEU A 42 5.708 -6.559 -15.986 1.00 0.00 C ATOM 592 C LEU A 42 6.715 -7.467 -15.230 1.00 0.00 C ATOM 593 O LEU A 42 7.406 -7.020 -14.307 1.00 0.00 O ATOM 594 CB LEU A 42 4.252 -6.744 -15.462 1.00 0.00 C ATOM 595 CG LEU A 42 4.046 -6.779 -13.919 1.00 0.00 C ATOM 596 CD1 LEU A 42 3.429 -5.462 -13.408 1.00 0.00 C ATOM 597 CD2 LEU A 42 3.181 -7.974 -13.466 1.00 0.00 C ATOM 0 H LEU A 42 4.912 -7.188 -17.842 1.00 0.00 H new ATOM 0 HA LEU A 42 5.965 -5.514 -15.815 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.643 -5.935 -15.865 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.861 -7.673 -15.875 1.00 0.00 H new ATOM 0 HG LEU A 42 5.037 -6.902 -13.481 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.297 -5.517 -12.327 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.092 -4.631 -13.651 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.461 -5.305 -13.884 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.068 -7.951 -12.382 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.199 -7.910 -13.934 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.664 -8.905 -13.761 1.00 0.00 H new ATOM 609 N GLY A 43 6.762 -8.757 -15.616 1.00 0.00 N ATOM 610 CA GLY A 43 7.588 -9.779 -14.925 1.00 0.00 C ATOM 611 C GLY A 43 9.067 -9.320 -14.849 1.00 0.00 C ATOM 612 O GLY A 43 9.773 -9.625 -13.878 1.00 0.00 O ATOM 0 H GLY A 43 6.235 -9.123 -16.409 1.00 0.00 H new ATOM 0 HA2 GLY A 43 7.202 -9.949 -13.920 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.522 -10.728 -15.456 1.00 0.00 H new ATOM 616 N THR A 44 9.526 -8.612 -15.898 1.00 0.00 N ATOM 617 CA THR A 44 10.945 -8.191 -16.037 1.00 0.00 C ATOM 618 C THR A 44 11.392 -7.495 -14.721 1.00 0.00 C ATOM 619 O THR A 44 12.444 -7.825 -14.159 1.00 0.00 O ATOM 620 CB THR A 44 11.170 -7.298 -17.297 1.00 0.00 C ATOM 621 OG1 THR A 44 11.241 -8.098 -18.475 1.00 0.00 O ATOM 622 CG2 THR A 44 12.424 -6.404 -17.253 1.00 0.00 C ATOM 0 H THR A 44 8.933 -8.314 -16.672 1.00 0.00 H new ATOM 0 HA THR A 44 11.569 -9.071 -16.196 1.00 0.00 H new ATOM 0 HB THR A 44 10.306 -6.634 -17.309 1.00 0.00 H new ATOM 0 HG1 THR A 44 11.381 -7.521 -19.255 1.00 0.00 H new ATOM 0 HG21 THR A 44 12.490 -5.824 -18.173 1.00 0.00 H new ATOM 0 HG22 THR A 44 12.358 -5.727 -16.401 1.00 0.00 H new ATOM 0 HG23 THR A 44 13.312 -7.028 -17.153 1.00 0.00 H new ATOM 630 N VAL A 45 10.588 -6.519 -14.261 1.00 0.00 N ATOM 631 CA VAL A 45 10.915 -5.673 -13.082 1.00 0.00 C ATOM 632 C VAL A 45 10.930 -6.598 -11.834 1.00 0.00 C ATOM 633 O VAL A 45 11.730 -6.396 -10.911 1.00 0.00 O ATOM 634 CB VAL A 45 9.941 -4.448 -12.950 1.00 0.00 C ATOM 635 CG1 VAL A 45 9.278 -4.354 -11.554 1.00 0.00 C ATOM 636 CG2 VAL A 45 10.594 -3.079 -13.265 1.00 0.00 C ATOM 0 H VAL A 45 9.692 -6.289 -14.691 1.00 0.00 H new ATOM 0 HA VAL A 45 11.899 -5.218 -13.194 1.00 0.00 H new ATOM 0 HB VAL A 45 9.184 -4.651 -13.708 1.00 0.00 H new ATOM 0 HG11 VAL A 45 8.616 -3.488 -11.523 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.701 -5.259 -11.364 1.00 0.00 H new ATOM 0 HG13 VAL A 45 10.049 -4.248 -10.791 1.00 0.00 H new ATOM 0 HG21 VAL A 45 9.853 -2.288 -13.150 1.00 0.00 H new ATOM 0 HG22 VAL A 45 11.422 -2.904 -12.578 1.00 0.00 H new ATOM 0 HG23 VAL A 45 10.967 -3.081 -14.289 1.00 0.00 H new ATOM 646 N MET A 46 10.020 -7.590 -11.806 1.00 0.00 N ATOM 647 CA MET A 46 9.834 -8.490 -10.637 1.00 0.00 C ATOM 648 C MET A 46 11.175 -9.231 -10.384 1.00 0.00 C ATOM 649 O MET A 46 11.563 -9.461 -9.233 1.00 0.00 O ATOM 650 CB MET A 46 8.650 -9.473 -10.859 1.00 0.00 C ATOM 651 CG MET A 46 7.287 -9.019 -10.305 1.00 0.00 C ATOM 652 SD MET A 46 6.725 -10.165 -9.026 1.00 0.00 S ATOM 653 CE MET A 46 6.919 -9.159 -7.540 1.00 0.00 C ATOM 0 H MET A 46 9.394 -7.795 -12.585 1.00 0.00 H new ATOM 0 HA MET A 46 9.572 -7.908 -9.753 1.00 0.00 H new ATOM 0 HB2 MET A 46 8.545 -9.649 -11.930 1.00 0.00 H new ATOM 0 HB3 MET A 46 8.906 -10.429 -10.402 1.00 0.00 H new ATOM 0 HG2 MET A 46 7.370 -8.013 -9.893 1.00 0.00 H new ATOM 0 HG3 MET A 46 6.555 -8.974 -11.111 1.00 0.00 H new ATOM 0 HE1 MET A 46 7.588 -9.664 -6.844 1.00 0.00 H new ATOM 0 HE2 MET A 46 7.339 -8.190 -7.809 1.00 0.00 H new ATOM 0 HE3 MET A 46 5.947 -9.015 -7.069 1.00 0.00 H new ATOM 663 N ARG A 47 11.870 -9.597 -11.478 1.00 0.00 N ATOM 664 CA ARG A 47 13.115 -10.408 -11.419 1.00 0.00 C ATOM 665 C ARG A 47 14.138 -9.693 -10.496 1.00 0.00 C ATOM 666 O ARG A 47 14.955 -10.345 -9.834 1.00 0.00 O ATOM 667 CB ARG A 47 13.694 -10.623 -12.845 1.00 0.00 C ATOM 668 CG ARG A 47 12.932 -11.657 -13.707 1.00 0.00 C ATOM 669 CD ARG A 47 13.470 -11.762 -15.147 1.00 0.00 C ATOM 670 NE ARG A 47 14.822 -12.377 -15.197 1.00 0.00 N ATOM 671 CZ ARG A 47 15.346 -13.007 -16.269 1.00 0.00 C ATOM 672 NH1 ARG A 47 14.709 -13.162 -17.429 1.00 0.00 N ATOM 673 NH2 ARG A 47 16.566 -13.500 -16.163 1.00 0.00 N ATOM 0 H ARG A 47 11.591 -9.344 -12.426 1.00 0.00 H new ATOM 0 HA ARG A 47 12.894 -11.393 -11.007 1.00 0.00 H new ATOM 0 HB2 ARG A 47 13.697 -9.667 -13.368 1.00 0.00 H new ATOM 0 HB3 ARG A 47 14.733 -10.941 -12.756 1.00 0.00 H new ATOM 0 HG2 ARG A 47 12.996 -12.635 -13.230 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.877 -11.386 -13.739 1.00 0.00 H new ATOM 0 HD2 ARG A 47 12.781 -12.355 -15.748 1.00 0.00 H new ATOM 0 HD3 ARG A 47 13.508 -10.768 -15.592 1.00 0.00 H new ATOM 0 HE ARG A 47 15.398 -12.318 -14.357 1.00 0.00 H new ATOM 0 HH11 ARG A 47 13.765 -12.793 -17.546 1.00 0.00 H new ATOM 0 HH12 ARG A 47 15.165 -13.650 -18.200 1.00 0.00 H new ATOM 0 HH21 ARG A 47 17.083 -13.399 -15.289 1.00 0.00 H new ATOM 0 HH22 ARG A 47 16.992 -13.982 -16.955 1.00 0.00 H new ATOM 687 N MET A 48 14.096 -8.348 -10.490 1.00 0.00 N ATOM 688 CA MET A 48 14.950 -7.509 -9.608 1.00 0.00 C ATOM 689 C MET A 48 14.228 -7.368 -8.241 1.00 0.00 C ATOM 690 O MET A 48 13.633 -6.324 -7.946 1.00 0.00 O ATOM 691 CB MET A 48 15.259 -6.131 -10.258 1.00 0.00 C ATOM 692 CG MET A 48 16.539 -6.062 -11.112 1.00 0.00 C ATOM 693 SD MET A 48 17.505 -4.602 -10.664 1.00 0.00 S ATOM 694 CE MET A 48 16.263 -3.300 -10.804 1.00 0.00 C ATOM 0 H MET A 48 13.474 -7.807 -11.091 1.00 0.00 H new ATOM 0 HA MET A 48 15.919 -7.985 -9.457 1.00 0.00 H new ATOM 0 HB2 MET A 48 14.412 -5.848 -10.884 1.00 0.00 H new ATOM 0 HB3 MET A 48 15.333 -5.386 -9.466 1.00 0.00 H new ATOM 0 HG2 MET A 48 17.135 -6.962 -10.962 1.00 0.00 H new ATOM 0 HG3 MET A 48 16.278 -6.025 -12.170 1.00 0.00 H new ATOM 0 HE1 MET A 48 16.741 -2.373 -11.121 1.00 0.00 H new ATOM 0 HE2 MET A 48 15.512 -3.591 -11.539 1.00 0.00 H new ATOM 0 HE3 MET A 48 15.784 -3.148 -9.837 1.00 0.00 H new ATOM 704 N LEU A 49 14.264 -8.443 -7.431 1.00 0.00 N ATOM 705 CA LEU A 49 13.656 -8.461 -6.074 1.00 0.00 C ATOM 706 C LEU A 49 14.386 -9.543 -5.235 1.00 0.00 C ATOM 707 O LEU A 49 15.220 -9.232 -4.377 1.00 0.00 O ATOM 708 CB LEU A 49 12.122 -8.726 -6.155 1.00 0.00 C ATOM 709 CG LEU A 49 11.217 -7.554 -6.636 1.00 0.00 C ATOM 710 CD1 LEU A 49 9.730 -7.963 -6.643 1.00 0.00 C ATOM 711 CD2 LEU A 49 11.405 -6.277 -5.791 1.00 0.00 C ATOM 0 H LEU A 49 14.711 -9.322 -7.691 1.00 0.00 H new ATOM 0 HA LEU A 49 13.775 -7.490 -5.593 1.00 0.00 H new ATOM 0 HB2 LEU A 49 11.961 -9.572 -6.823 1.00 0.00 H new ATOM 0 HB3 LEU A 49 11.780 -9.032 -5.166 1.00 0.00 H new ATOM 0 HG LEU A 49 11.529 -7.326 -7.655 1.00 0.00 H new ATOM 0 HD11 LEU A 49 9.123 -7.124 -6.983 1.00 0.00 H new ATOM 0 HD12 LEU A 49 9.589 -8.809 -7.315 1.00 0.00 H new ATOM 0 HD13 LEU A 49 9.426 -8.245 -5.635 1.00 0.00 H new ATOM 0 HD21 LEU A 49 10.751 -5.491 -6.169 1.00 0.00 H new ATOM 0 HD22 LEU A 49 11.155 -6.489 -4.751 1.00 0.00 H new ATOM 0 HD23 LEU A 49 12.442 -5.948 -5.855 1.00 0.00 H new ATOM 723 N GLY A 50 14.037 -10.824 -5.476 1.00 0.00 N ATOM 724 CA GLY A 50 14.583 -11.965 -4.699 1.00 0.00 C ATOM 725 C GLY A 50 14.527 -13.266 -5.540 1.00 0.00 C ATOM 726 O GLY A 50 15.526 -13.664 -6.155 1.00 0.00 O ATOM 0 H GLY A 50 13.378 -11.098 -6.204 1.00 0.00 H new ATOM 0 HA2 GLY A 50 15.613 -11.756 -4.408 1.00 0.00 H new ATOM 0 HA3 GLY A 50 14.012 -12.094 -3.779 1.00 0.00 H new ATOM 730 N GLN A 51 13.339 -13.900 -5.580 1.00 0.00 N ATOM 731 CA GLN A 51 13.107 -15.161 -6.333 1.00 0.00 C ATOM 732 C GLN A 51 12.902 -14.804 -7.830 1.00 0.00 C ATOM 733 O GLN A 51 13.209 -13.686 -8.260 1.00 0.00 O ATOM 734 CB GLN A 51 11.897 -15.935 -5.733 1.00 0.00 C ATOM 735 CG GLN A 51 11.730 -15.856 -4.196 1.00 0.00 C ATOM 736 CD GLN A 51 12.242 -17.091 -3.435 1.00 0.00 C ATOM 737 OE1 GLN A 51 13.434 -17.221 -3.154 1.00 0.00 O ATOM 738 NE2 GLN A 51 11.363 -18.017 -3.082 1.00 0.00 N ATOM 0 H GLN A 51 12.510 -13.558 -5.094 1.00 0.00 H new ATOM 0 HA GLN A 51 13.968 -15.825 -6.250 1.00 0.00 H new ATOM 0 HB2 GLN A 51 10.985 -15.558 -6.197 1.00 0.00 H new ATOM 0 HB3 GLN A 51 11.988 -16.984 -6.014 1.00 0.00 H new ATOM 0 HG2 GLN A 51 12.258 -14.975 -3.831 1.00 0.00 H new ATOM 0 HG3 GLN A 51 10.674 -15.714 -3.965 1.00 0.00 H new ATOM 0 HE21 GLN A 51 10.378 -17.901 -3.319 1.00 0.00 H new ATOM 0 HE22 GLN A 51 11.672 -18.846 -2.573 1.00 0.00 H new ATOM 747 N ASN A 52 12.360 -15.762 -8.606 1.00 0.00 N ATOM 748 CA ASN A 52 11.999 -15.542 -10.031 1.00 0.00 C ATOM 749 C ASN A 52 10.569 -16.125 -10.334 1.00 0.00 C ATOM 750 O ASN A 52 10.479 -17.297 -10.718 1.00 0.00 O ATOM 751 CB ASN A 52 13.100 -16.168 -10.930 1.00 0.00 C ATOM 752 CG ASN A 52 13.003 -15.800 -12.427 1.00 0.00 C ATOM 753 OD1 ASN A 52 12.065 -15.130 -12.859 1.00 0.00 O ATOM 754 ND2 ASN A 52 13.955 -16.232 -13.241 1.00 0.00 N ATOM 0 H ASN A 52 12.159 -16.705 -8.272 1.00 0.00 H new ATOM 0 HA ASN A 52 11.949 -14.475 -10.248 1.00 0.00 H new ATOM 0 HB2 ASN A 52 14.075 -15.856 -10.556 1.00 0.00 H new ATOM 0 HB3 ASN A 52 13.054 -17.253 -10.834 1.00 0.00 H new ATOM 0 HD21 ASN A 52 13.915 -16.010 -14.236 1.00 0.00 H new ATOM 0 HD22 ASN A 52 14.728 -16.786 -12.873 1.00 0.00 H new ATOM 761 N PRO A 53 9.438 -15.364 -10.181 1.00 0.00 N ATOM 762 CA PRO A 53 8.079 -15.829 -10.556 1.00 0.00 C ATOM 763 C PRO A 53 8.051 -16.476 -11.969 1.00 0.00 C ATOM 764 O PRO A 53 9.000 -16.336 -12.750 1.00 0.00 O ATOM 765 CB PRO A 53 7.245 -14.536 -10.447 1.00 0.00 C ATOM 766 CG PRO A 53 7.986 -13.606 -9.484 1.00 0.00 C ATOM 767 CD PRO A 53 9.456 -13.987 -9.623 1.00 0.00 C ATOM 0 HA PRO A 53 7.692 -16.626 -9.921 1.00 0.00 H new ATOM 0 HB2 PRO A 53 7.131 -14.067 -11.424 1.00 0.00 H new ATOM 0 HB3 PRO A 53 6.243 -14.754 -10.078 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.823 -12.560 -9.742 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.638 -13.740 -8.460 1.00 0.00 H new ATOM 0 HD2 PRO A 53 9.983 -13.299 -10.284 1.00 0.00 H new ATOM 0 HD3 PRO A 53 9.966 -13.957 -8.660 1.00 0.00 H new ATOM 775 N THR A 54 6.935 -17.156 -12.294 1.00 0.00 N ATOM 776 CA THR A 54 6.736 -17.832 -13.604 1.00 0.00 C ATOM 777 C THR A 54 5.642 -17.064 -14.397 1.00 0.00 C ATOM 778 O THR A 54 4.915 -16.240 -13.831 1.00 0.00 O ATOM 779 CB THR A 54 6.409 -19.349 -13.439 1.00 0.00 C ATOM 780 OG1 THR A 54 6.902 -20.094 -14.550 1.00 0.00 O ATOM 781 CG2 THR A 54 4.915 -19.683 -13.268 1.00 0.00 C ATOM 0 H THR A 54 6.142 -17.256 -11.660 1.00 0.00 H new ATOM 0 HA THR A 54 7.666 -17.804 -14.172 1.00 0.00 H new ATOM 0 HB THR A 54 6.906 -19.628 -12.510 1.00 0.00 H new ATOM 0 HG1 THR A 54 6.689 -21.043 -14.428 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.793 -20.761 -13.161 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.530 -19.184 -12.378 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.363 -19.340 -14.143 1.00 0.00 H new ATOM 789 N LYS A 55 5.561 -17.330 -15.714 1.00 0.00 N ATOM 790 CA LYS A 55 4.646 -16.605 -16.635 1.00 0.00 C ATOM 791 C LYS A 55 3.186 -16.954 -16.234 1.00 0.00 C ATOM 792 O LYS A 55 2.291 -16.105 -16.309 1.00 0.00 O ATOM 793 CB LYS A 55 4.965 -16.971 -18.117 1.00 0.00 C ATOM 794 CG LYS A 55 4.282 -16.122 -19.216 1.00 0.00 C ATOM 795 CD LYS A 55 2.812 -16.495 -19.517 1.00 0.00 C ATOM 796 CE LYS A 55 2.384 -17.889 -19.015 1.00 0.00 C ATOM 797 NZ LYS A 55 2.704 -18.974 -19.964 1.00 0.00 N ATOM 0 H LYS A 55 6.121 -18.048 -16.174 1.00 0.00 H new ATOM 0 HA LYS A 55 4.782 -15.527 -16.552 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.044 -16.902 -18.258 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.689 -18.014 -18.275 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.321 -15.074 -18.920 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.859 -16.215 -20.136 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.162 -15.746 -19.065 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.653 -16.447 -20.594 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.875 -18.091 -18.063 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.311 -17.886 -18.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.392 -19.884 -19.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.215 -18.802 -20.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.731 -19.001 -20.127 1.00 0.00 H new ATOM 811 N GLU A 56 2.963 -18.221 -15.838 1.00 0.00 N ATOM 812 CA GLU A 56 1.611 -18.744 -15.510 1.00 0.00 C ATOM 813 C GLU A 56 1.113 -18.037 -14.220 1.00 0.00 C ATOM 814 O GLU A 56 -0.059 -17.656 -14.119 1.00 0.00 O ATOM 815 CB GLU A 56 1.643 -20.295 -15.399 1.00 0.00 C ATOM 816 CG GLU A 56 0.295 -21.030 -15.595 1.00 0.00 C ATOM 817 CD GLU A 56 0.128 -22.277 -14.721 1.00 0.00 C ATOM 818 OE1 GLU A 56 0.593 -23.366 -15.125 1.00 0.00 O ATOM 819 OE2 GLU A 56 -0.468 -22.173 -13.625 1.00 0.00 O ATOM 0 H GLU A 56 3.706 -18.912 -15.735 1.00 0.00 H new ATOM 0 HA GLU A 56 0.899 -18.522 -16.305 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.349 -20.675 -16.137 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.036 -20.559 -14.417 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.519 -20.337 -15.380 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.200 -21.318 -16.642 1.00 0.00 H new ATOM 826 N GLU A 57 2.024 -17.871 -13.243 1.00 0.00 N ATOM 827 CA GLU A 57 1.706 -17.242 -11.933 1.00 0.00 C ATOM 828 C GLU A 57 1.351 -15.748 -12.163 1.00 0.00 C ATOM 829 O GLU A 57 0.515 -15.180 -11.450 1.00 0.00 O ATOM 830 CB GLU A 57 2.869 -17.435 -10.918 1.00 0.00 C ATOM 831 CG GLU A 57 2.563 -17.201 -9.418 1.00 0.00 C ATOM 832 CD GLU A 57 2.641 -15.735 -8.981 1.00 0.00 C ATOM 833 OE1 GLU A 57 3.636 -15.056 -9.319 1.00 0.00 O ATOM 834 OE2 GLU A 57 1.707 -15.256 -8.300 1.00 0.00 O ATOM 0 H GLU A 57 2.997 -18.165 -13.331 1.00 0.00 H new ATOM 0 HA GLU A 57 0.840 -17.733 -11.488 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.245 -18.452 -11.029 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.678 -16.763 -11.204 1.00 0.00 H new ATOM 0 HG2 GLU A 57 1.565 -17.581 -9.199 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.264 -17.784 -8.821 1.00 0.00 H new ATOM 841 N LEU A 58 2.021 -15.118 -13.146 1.00 0.00 N ATOM 842 CA LEU A 58 1.844 -13.674 -13.454 1.00 0.00 C ATOM 843 C LEU A 58 0.353 -13.415 -13.805 1.00 0.00 C ATOM 844 O LEU A 58 -0.198 -12.358 -13.473 1.00 0.00 O ATOM 845 CB LEU A 58 2.835 -13.280 -14.587 1.00 0.00 C ATOM 846 CG LEU A 58 4.234 -12.764 -14.143 1.00 0.00 C ATOM 847 CD1 LEU A 58 5.318 -12.946 -15.227 1.00 0.00 C ATOM 848 CD2 LEU A 58 4.156 -11.282 -13.726 1.00 0.00 C ATOM 0 H LEU A 58 2.697 -15.586 -13.749 1.00 0.00 H new ATOM 0 HA LEU A 58 2.078 -13.042 -12.597 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.981 -14.149 -15.229 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.365 -12.508 -15.197 1.00 0.00 H new ATOM 0 HG LEU A 58 4.529 -13.374 -13.289 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.270 -12.567 -14.856 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.418 -14.004 -15.468 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.032 -12.395 -16.123 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.144 -10.938 -13.418 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.810 -10.684 -14.569 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.459 -11.174 -12.895 1.00 0.00 H new ATOM 860 N ASP A 59 -0.285 -14.404 -14.457 1.00 0.00 N ATOM 861 CA ASP A 59 -1.686 -14.288 -14.943 1.00 0.00 C ATOM 862 C ASP A 59 -2.615 -14.033 -13.725 1.00 0.00 C ATOM 863 O ASP A 59 -3.552 -13.228 -13.803 1.00 0.00 O ATOM 864 CB ASP A 59 -2.112 -15.534 -15.772 1.00 0.00 C ATOM 865 CG ASP A 59 -3.505 -15.470 -16.422 1.00 0.00 C ATOM 866 OD1 ASP A 59 -3.920 -14.374 -16.858 1.00 0.00 O ATOM 867 OD2 ASP A 59 -4.182 -16.519 -16.503 1.00 0.00 O ATOM 0 H ASP A 59 0.147 -15.304 -14.665 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.769 -13.443 -15.627 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.374 -15.692 -16.558 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.077 -16.408 -15.121 1.00 0.00 H new ATOM 872 N ALA A 60 -2.358 -14.750 -12.616 1.00 0.00 N ATOM 873 CA ALA A 60 -3.217 -14.704 -11.403 1.00 0.00 C ATOM 874 C ALA A 60 -3.073 -13.326 -10.701 1.00 0.00 C ATOM 875 O ALA A 60 -4.044 -12.791 -10.154 1.00 0.00 O ATOM 876 CB ALA A 60 -2.835 -15.869 -10.469 1.00 0.00 C ATOM 0 H ALA A 60 -1.557 -15.375 -12.528 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.265 -14.819 -11.680 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.461 -15.841 -9.577 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.985 -16.816 -10.988 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.788 -15.775 -10.180 1.00 0.00 H new ATOM 882 N ILE A 61 -1.854 -12.758 -10.755 1.00 0.00 N ATOM 883 CA ILE A 61 -1.520 -11.476 -10.079 1.00 0.00 C ATOM 884 C ILE A 61 -2.421 -10.392 -10.735 1.00 0.00 C ATOM 885 O ILE A 61 -3.095 -9.628 -10.033 1.00 0.00 O ATOM 886 CB ILE A 61 0.024 -11.170 -10.126 1.00 0.00 C ATOM 887 CG1 ILE A 61 0.769 -11.620 -8.828 1.00 0.00 C ATOM 888 CG2 ILE A 61 0.327 -9.676 -10.421 1.00 0.00 C ATOM 889 CD1 ILE A 61 1.549 -10.521 -8.088 1.00 0.00 C ATOM 0 H ILE A 61 -1.071 -13.167 -11.265 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.728 -11.511 -9.010 1.00 0.00 H new ATOM 0 HB ILE A 61 0.406 -11.764 -10.956 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.037 -12.045 -8.141 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.463 -12.419 -9.089 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.406 -9.521 -10.442 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.098 -9.402 -11.387 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.114 -9.055 -9.641 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.025 -10.945 -7.204 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.312 -10.108 -8.749 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.864 -9.729 -7.786 1.00 0.00 H new ATOM 901 N ILE A 62 -2.419 -10.344 -12.080 1.00 0.00 N ATOM 902 CA ILE A 62 -3.147 -9.311 -12.867 1.00 0.00 C ATOM 903 C ILE A 62 -4.651 -9.464 -12.510 1.00 0.00 C ATOM 904 O ILE A 62 -5.397 -8.476 -12.507 1.00 0.00 O ATOM 905 CB ILE A 62 -2.817 -9.403 -14.404 1.00 0.00 C ATOM 906 CG1 ILE A 62 -1.458 -8.728 -14.771 1.00 0.00 C ATOM 907 CG2 ILE A 62 -3.953 -8.826 -15.293 1.00 0.00 C ATOM 908 CD1 ILE A 62 -1.211 -8.488 -16.270 1.00 0.00 C ATOM 0 H ILE A 62 -1.915 -11.016 -12.659 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.827 -8.302 -12.609 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.730 -10.469 -14.613 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.399 -7.770 -14.255 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.650 -9.349 -14.384 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -3.674 -8.914 -16.343 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.873 -9.382 -15.114 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.110 -7.776 -15.047 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.239 -8.015 -16.407 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.229 -9.441 -16.799 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.990 -7.838 -16.668 1.00 0.00 H new ATOM 920 N GLU A 63 -5.088 -10.709 -12.244 1.00 0.00 N ATOM 921 CA GLU A 63 -6.499 -11.022 -11.887 1.00 0.00 C ATOM 922 C GLU A 63 -6.988 -9.991 -10.833 1.00 0.00 C ATOM 923 O GLU A 63 -8.015 -9.329 -11.028 1.00 0.00 O ATOM 924 CB GLU A 63 -6.626 -12.499 -11.412 1.00 0.00 C ATOM 925 CG GLU A 63 -8.019 -13.156 -11.557 1.00 0.00 C ATOM 926 CD GLU A 63 -7.989 -14.688 -11.597 1.00 0.00 C ATOM 927 OE1 GLU A 63 -6.976 -15.284 -11.170 1.00 0.00 O ATOM 928 OE2 GLU A 63 -8.978 -15.301 -12.058 1.00 0.00 O ATOM 0 H GLU A 63 -4.482 -11.529 -12.268 1.00 0.00 H new ATOM 0 HA GLU A 63 -7.146 -10.934 -12.760 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.907 -13.099 -11.969 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.335 -12.546 -10.363 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.647 -12.838 -10.725 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.488 -12.789 -12.470 1.00 0.00 H new ATOM 935 N GLU A 64 -6.239 -9.871 -9.721 1.00 0.00 N ATOM 936 CA GLU A 64 -6.626 -9.011 -8.571 1.00 0.00 C ATOM 937 C GLU A 64 -6.429 -7.526 -8.980 1.00 0.00 C ATOM 938 O GLU A 64 -7.246 -6.663 -8.636 1.00 0.00 O ATOM 939 CB GLU A 64 -5.828 -9.418 -7.299 1.00 0.00 C ATOM 940 CG GLU A 64 -6.597 -10.238 -6.236 1.00 0.00 C ATOM 941 CD GLU A 64 -7.461 -11.363 -6.816 1.00 0.00 C ATOM 942 OE1 GLU A 64 -8.591 -11.084 -7.273 1.00 0.00 O ATOM 943 OE2 GLU A 64 -7.014 -12.532 -6.813 1.00 0.00 O ATOM 0 H GLU A 64 -5.354 -10.360 -9.588 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.677 -9.147 -8.315 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.958 -9.995 -7.612 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.454 -8.510 -6.825 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.880 -10.669 -5.537 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.234 -9.564 -5.664 1.00 0.00 H new ATOM 950 N VAL A 65 -5.337 -7.248 -9.716 1.00 0.00 N ATOM 951 CA VAL A 65 -4.941 -5.866 -10.099 1.00 0.00 C ATOM 952 C VAL A 65 -5.413 -5.636 -11.562 1.00 0.00 C ATOM 953 O VAL A 65 -4.609 -5.294 -12.440 1.00 0.00 O ATOM 954 CB VAL A 65 -3.407 -5.612 -9.880 1.00 0.00 C ATOM 955 CG1 VAL A 65 -3.103 -4.897 -8.542 1.00 0.00 C ATOM 956 CG2 VAL A 65 -2.533 -6.889 -9.952 1.00 0.00 C ATOM 0 H VAL A 65 -4.702 -7.966 -10.064 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.424 -5.132 -9.454 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.140 -4.966 -10.717 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -2.028 -4.748 -8.445 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.606 -3.930 -8.523 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -3.461 -5.508 -7.713 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -1.488 -6.624 -9.790 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -2.852 -7.592 -9.183 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -2.643 -7.350 -10.934 1.00 0.00 H new ATOM 966 N ASP A 66 -6.722 -5.825 -11.808 1.00 0.00 N ATOM 967 CA ASP A 66 -7.326 -5.642 -13.156 1.00 0.00 C ATOM 968 C ASP A 66 -8.871 -5.724 -13.022 1.00 0.00 C ATOM 969 O ASP A 66 -9.526 -6.575 -13.640 1.00 0.00 O ATOM 970 CB ASP A 66 -6.751 -6.660 -14.184 1.00 0.00 C ATOM 971 CG ASP A 66 -7.009 -6.340 -15.667 1.00 0.00 C ATOM 972 OD1 ASP A 66 -6.237 -5.556 -16.261 1.00 0.00 O ATOM 973 OD2 ASP A 66 -7.989 -6.868 -16.237 1.00 0.00 O ATOM 0 H ASP A 66 -7.391 -6.106 -11.092 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.066 -4.659 -13.549 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -5.674 -6.732 -14.030 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -7.171 -7.642 -13.966 1.00 0.00 H new ATOM 978 N GLU A 67 -9.439 -4.851 -12.170 1.00 0.00 N ATOM 979 CA GLU A 67 -10.897 -4.776 -11.894 1.00 0.00 C ATOM 980 C GLU A 67 -11.570 -3.838 -12.935 1.00 0.00 C ATOM 981 O GLU A 67 -12.515 -3.089 -12.611 1.00 0.00 O ATOM 982 CB GLU A 67 -11.133 -4.330 -10.419 1.00 0.00 C ATOM 983 CG GLU A 67 -10.557 -5.253 -9.320 1.00 0.00 C ATOM 984 CD GLU A 67 -11.603 -6.133 -8.628 1.00 0.00 C ATOM 985 OE1 GLU A 67 -12.615 -6.490 -9.272 1.00 0.00 O ATOM 986 OE2 GLU A 67 -11.416 -6.475 -7.439 1.00 0.00 O ATOM 0 H GLU A 67 -8.896 -4.166 -11.644 1.00 0.00 H new ATOM 0 HA GLU A 67 -11.361 -5.757 -12.000 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.704 -3.336 -10.290 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -12.207 -4.237 -10.258 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.794 -5.894 -9.762 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -10.061 -4.639 -8.569 1.00 0.00 H new ATOM 993 N ASP A 68 -11.114 -3.890 -14.200 1.00 0.00 N ATOM 994 CA ASP A 68 -11.621 -3.023 -15.299 1.00 0.00 C ATOM 995 C ASP A 68 -12.056 -3.923 -16.486 1.00 0.00 C ATOM 996 O ASP A 68 -13.161 -3.776 -17.024 1.00 0.00 O ATOM 997 CB ASP A 68 -10.573 -1.949 -15.712 1.00 0.00 C ATOM 998 CG ASP A 68 -9.279 -2.477 -16.356 1.00 0.00 C ATOM 999 OD1 ASP A 68 -8.639 -3.382 -15.776 1.00 0.00 O ATOM 1000 OD2 ASP A 68 -8.897 -1.982 -17.439 1.00 0.00 O ATOM 0 H ASP A 68 -10.381 -4.534 -14.498 1.00 0.00 H new ATOM 0 HA ASP A 68 -12.490 -2.464 -14.953 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -11.046 -1.259 -16.410 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -10.305 -1.373 -14.826 1.00 0.00 H new ATOM 1005 N GLY A 69 -11.161 -4.839 -16.911 1.00 0.00 N ATOM 1006 CA GLY A 69 -11.428 -5.744 -18.057 1.00 0.00 C ATOM 1007 C GLY A 69 -10.234 -5.745 -19.045 1.00 0.00 C ATOM 1008 O GLY A 69 -9.883 -6.787 -19.613 1.00 0.00 O ATOM 0 H GLY A 69 -10.246 -4.974 -16.480 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -11.606 -6.756 -17.694 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.334 -5.427 -18.574 1.00 0.00 H new ATOM 1012 N SER A 70 -9.622 -4.563 -19.243 1.00 0.00 N ATOM 1013 CA SER A 70 -8.533 -4.348 -20.233 1.00 0.00 C ATOM 1014 C SER A 70 -7.498 -5.502 -20.161 1.00 0.00 C ATOM 1015 O SER A 70 -7.055 -6.025 -21.192 1.00 0.00 O ATOM 1016 CB SER A 70 -7.884 -2.965 -19.984 1.00 0.00 C ATOM 1017 OG SER A 70 -6.911 -3.028 -18.947 1.00 0.00 O ATOM 0 H SER A 70 -9.865 -3.721 -18.721 1.00 0.00 H new ATOM 0 HA SER A 70 -8.943 -4.354 -21.243 1.00 0.00 H new ATOM 0 HB2 SER A 70 -7.417 -2.610 -20.903 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.655 -2.242 -19.718 1.00 0.00 H new ATOM 0 HG SER A 70 -7.298 -2.686 -18.114 1.00 0.00 H new ATOM 1023 N GLY A 71 -7.132 -5.908 -18.929 1.00 0.00 N ATOM 1024 CA GLY A 71 -6.168 -7.015 -18.704 1.00 0.00 C ATOM 1025 C GLY A 71 -4.714 -6.508 -18.889 1.00 0.00 C ATOM 1026 O GLY A 71 -3.834 -7.259 -19.330 1.00 0.00 O ATOM 0 H GLY A 71 -7.488 -5.488 -18.070 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.295 -7.418 -17.699 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -6.368 -7.828 -19.401 1.00 0.00 H new ATOM 1030 N THR A 72 -4.483 -5.226 -18.546 1.00 0.00 N ATOM 1031 CA THR A 72 -3.154 -4.572 -18.663 1.00 0.00 C ATOM 1032 C THR A 72 -2.976 -3.589 -17.474 1.00 0.00 C ATOM 1033 O THR A 72 -3.808 -3.547 -16.558 1.00 0.00 O ATOM 1034 CB THR A 72 -2.958 -3.883 -20.051 1.00 0.00 C ATOM 1035 OG1 THR A 72 -3.974 -2.909 -20.277 1.00 0.00 O ATOM 1036 CG2 THR A 72 -2.938 -4.838 -21.259 1.00 0.00 C ATOM 0 H THR A 72 -5.209 -4.610 -18.179 1.00 0.00 H new ATOM 0 HA THR A 72 -2.372 -5.330 -18.610 1.00 0.00 H new ATOM 0 HB THR A 72 -1.969 -3.430 -19.986 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.568 -2.088 -20.626 1.00 0.00 H new ATOM 0 HG21 THR A 72 -2.797 -4.264 -22.175 1.00 0.00 H new ATOM 0 HG22 THR A 72 -2.119 -5.549 -21.147 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.883 -5.378 -21.311 1.00 0.00 H new ATOM 1044 N ILE A 73 -1.900 -2.780 -17.514 1.00 0.00 N ATOM 1045 CA ILE A 73 -1.581 -1.780 -16.458 1.00 0.00 C ATOM 1046 C ILE A 73 -1.177 -0.479 -17.205 1.00 0.00 C ATOM 1047 O ILE A 73 -0.030 -0.025 -17.105 1.00 0.00 O ATOM 1048 CB ILE A 73 -0.509 -2.321 -15.440 1.00 0.00 C ATOM 1049 CG1 ILE A 73 -0.920 -3.683 -14.795 1.00 0.00 C ATOM 1050 CG2 ILE A 73 -0.167 -1.290 -14.330 1.00 0.00 C ATOM 1051 CD1 ILE A 73 0.225 -4.676 -14.537 1.00 0.00 C ATOM 0 H ILE A 73 -1.223 -2.796 -18.276 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.438 -1.570 -15.817 1.00 0.00 H new ATOM 0 HB ILE A 73 0.388 -2.489 -16.036 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.418 -3.479 -13.847 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.653 -4.164 -15.443 1.00 0.00 H new ATOM 0 HG21 ILE A 73 0.577 -1.715 -13.656 1.00 0.00 H new ATOM 0 HG22 ILE A 73 0.232 -0.384 -14.786 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.069 -1.047 -13.768 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -0.176 -5.585 -14.088 1.00 0.00 H new ATOM 0 HD12 ILE A 73 0.713 -4.922 -15.480 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.951 -4.226 -13.860 1.00 0.00 H new ATOM 1063 N ASP A 74 -2.136 0.118 -17.937 1.00 0.00 N ATOM 1064 CA ASP A 74 -1.907 1.368 -18.711 1.00 0.00 C ATOM 1065 C ASP A 74 -1.617 2.526 -17.717 1.00 0.00 C ATOM 1066 O ASP A 74 -1.950 2.435 -16.529 1.00 0.00 O ATOM 1067 CB ASP A 74 -3.098 1.679 -19.663 1.00 0.00 C ATOM 1068 CG ASP A 74 -3.921 0.467 -20.134 1.00 0.00 C ATOM 1069 OD1 ASP A 74 -3.558 -0.147 -21.161 1.00 0.00 O ATOM 1070 OD2 ASP A 74 -4.928 0.125 -19.476 1.00 0.00 O ATOM 0 H ASP A 74 -3.087 -0.243 -18.013 1.00 0.00 H new ATOM 0 HA ASP A 74 -1.040 1.243 -19.360 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -3.769 2.374 -19.158 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.710 2.193 -20.542 1.00 0.00 H new ATOM 1075 N PHE A 75 -0.974 3.598 -18.214 1.00 0.00 N ATOM 1076 CA PHE A 75 -0.643 4.797 -17.397 1.00 0.00 C ATOM 1077 C PHE A 75 -1.896 5.230 -16.590 1.00 0.00 C ATOM 1078 O PHE A 75 -1.772 5.835 -15.516 1.00 0.00 O ATOM 1079 CB PHE A 75 -0.111 5.945 -18.306 1.00 0.00 C ATOM 1080 CG PHE A 75 0.802 6.970 -17.605 1.00 0.00 C ATOM 1081 CD1 PHE A 75 1.868 6.536 -16.808 1.00 0.00 C ATOM 1082 CD2 PHE A 75 0.568 8.343 -17.746 1.00 0.00 C ATOM 1083 CE1 PHE A 75 2.659 7.460 -16.129 1.00 0.00 C ATOM 1084 CE2 PHE A 75 1.361 9.265 -17.066 1.00 0.00 C ATOM 1085 CZ PHE A 75 2.395 8.822 -16.245 1.00 0.00 C ATOM 0 H PHE A 75 -0.668 3.665 -19.185 1.00 0.00 H new ATOM 0 HA PHE A 75 0.151 4.555 -16.691 1.00 0.00 H new ATOM 0 HB2 PHE A 75 0.438 5.503 -19.138 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -0.964 6.474 -18.732 1.00 0.00 H new ATOM 0 HD1 PHE A 75 2.078 5.480 -16.719 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -0.231 8.689 -18.385 1.00 0.00 H new ATOM 0 HE1 PHE A 75 3.478 7.120 -15.512 1.00 0.00 H new ATOM 0 HE2 PHE A 75 1.174 10.323 -17.176 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.993 9.536 -15.698 1.00 0.00 H new ATOM 1095 N GLU A 76 -3.096 4.939 -17.126 1.00 0.00 N ATOM 1096 CA GLU A 76 -4.386 5.335 -16.503 1.00 0.00 C ATOM 1097 C GLU A 76 -4.883 4.181 -15.588 1.00 0.00 C ATOM 1098 O GLU A 76 -6.070 3.837 -15.595 1.00 0.00 O ATOM 1099 CB GLU A 76 -5.433 5.735 -17.583 1.00 0.00 C ATOM 1100 CG GLU A 76 -5.332 5.053 -18.970 1.00 0.00 C ATOM 1101 CD GLU A 76 -6.085 5.784 -20.086 1.00 0.00 C ATOM 1102 OE1 GLU A 76 -5.521 6.731 -20.678 1.00 0.00 O ATOM 1103 OE2 GLU A 76 -7.244 5.412 -20.379 1.00 0.00 O ATOM 0 H GLU A 76 -3.205 4.425 -18.000 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.239 6.221 -15.885 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.425 5.531 -17.180 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.365 6.812 -17.733 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.281 4.974 -19.248 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.718 4.037 -18.892 1.00 0.00 H new ATOM 1110 N GLU A 77 -3.955 3.612 -14.795 1.00 0.00 N ATOM 1111 CA GLU A 77 -4.259 2.521 -13.831 1.00 0.00 C ATOM 1112 C GLU A 77 -3.121 2.434 -12.778 1.00 0.00 C ATOM 1113 O GLU A 77 -3.379 2.222 -11.587 1.00 0.00 O ATOM 1114 CB GLU A 77 -4.478 1.158 -14.552 1.00 0.00 C ATOM 1115 CG GLU A 77 -4.312 -0.112 -13.685 1.00 0.00 C ATOM 1116 CD GLU A 77 -5.111 -1.308 -14.210 1.00 0.00 C ATOM 1117 OE1 GLU A 77 -6.200 -1.102 -14.789 1.00 0.00 O ATOM 1118 OE2 GLU A 77 -4.656 -2.461 -14.040 1.00 0.00 O ATOM 0 H GLU A 77 -2.974 3.890 -14.800 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.195 2.753 -13.322 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -5.482 1.153 -14.976 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -3.779 1.096 -15.386 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.256 -0.379 -13.642 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -4.627 0.108 -12.665 1.00 0.00 H new ATOM 1125 N PHE A 78 -1.866 2.596 -13.235 1.00 0.00 N ATOM 1126 CA PHE A 78 -0.665 2.538 -12.360 1.00 0.00 C ATOM 1127 C PHE A 78 -0.850 3.543 -11.190 1.00 0.00 C ATOM 1128 O PHE A 78 -0.552 3.227 -10.032 1.00 0.00 O ATOM 1129 CB PHE A 78 0.628 2.816 -13.187 1.00 0.00 C ATOM 1130 CG PHE A 78 1.951 2.474 -12.471 1.00 0.00 C ATOM 1131 CD1 PHE A 78 2.004 1.413 -11.560 1.00 0.00 C ATOM 1132 CD2 PHE A 78 3.122 3.185 -12.762 1.00 0.00 C ATOM 1133 CE1 PHE A 78 3.205 1.076 -10.940 1.00 0.00 C ATOM 1134 CE2 PHE A 78 4.322 2.845 -12.142 1.00 0.00 C ATOM 1135 CZ PHE A 78 4.362 1.791 -11.232 1.00 0.00 C ATOM 0 H PHE A 78 -1.649 2.770 -14.216 1.00 0.00 H new ATOM 0 HA PHE A 78 -0.552 1.539 -11.938 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.577 2.245 -14.114 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.644 3.871 -13.462 1.00 0.00 H new ATOM 0 HD1 PHE A 78 1.109 0.852 -11.336 1.00 0.00 H new ATOM 0 HD2 PHE A 78 3.094 4.000 -13.470 1.00 0.00 H new ATOM 0 HE1 PHE A 78 3.238 0.260 -10.233 1.00 0.00 H new ATOM 0 HE2 PHE A 78 5.222 3.399 -12.367 1.00 0.00 H new ATOM 0 HZ PHE A 78 5.293 1.528 -10.752 1.00 0.00 H new ATOM 1145 N LEU A 79 -1.315 4.762 -11.519 1.00 0.00 N ATOM 1146 CA LEU A 79 -1.455 5.870 -10.537 1.00 0.00 C ATOM 1147 C LEU A 79 -2.529 5.457 -9.493 1.00 0.00 C ATOM 1148 O LEU A 79 -2.342 5.655 -8.285 1.00 0.00 O ATOM 1149 CB LEU A 79 -1.828 7.204 -11.252 1.00 0.00 C ATOM 1150 CG LEU A 79 -1.060 7.554 -12.560 1.00 0.00 C ATOM 1151 CD1 LEU A 79 -1.629 8.804 -13.263 1.00 0.00 C ATOM 1152 CD2 LEU A 79 0.446 7.746 -12.290 1.00 0.00 C ATOM 0 H LEU A 79 -1.604 5.013 -12.464 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.506 6.046 -10.030 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.893 7.176 -11.484 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.677 8.019 -10.544 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.197 6.705 -13.230 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.057 9.004 -14.169 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.673 8.631 -13.523 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.559 9.661 -12.594 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.955 7.989 -13.223 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.587 8.558 -11.577 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.862 6.826 -11.879 1.00 0.00 H new ATOM 1164 N VAL A 80 -3.660 4.911 -9.977 1.00 0.00 N ATOM 1165 CA VAL A 80 -4.786 4.464 -9.113 1.00 0.00 C ATOM 1166 C VAL A 80 -4.226 3.443 -8.085 1.00 0.00 C ATOM 1167 O VAL A 80 -4.766 3.312 -6.978 1.00 0.00 O ATOM 1168 CB VAL A 80 -5.989 3.911 -9.958 1.00 0.00 C ATOM 1169 CG1 VAL A 80 -7.151 3.338 -9.110 1.00 0.00 C ATOM 1170 CG2 VAL A 80 -6.577 4.966 -10.927 1.00 0.00 C ATOM 0 H VAL A 80 -3.826 4.765 -10.973 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.205 5.310 -8.568 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.541 3.094 -10.524 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -7.940 2.978 -9.770 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -6.784 2.513 -8.500 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -7.548 4.119 -8.462 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.405 4.527 -11.484 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -6.937 5.823 -10.357 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -5.804 5.292 -11.623 1.00 0.00 H new ATOM 1180 N MET A 81 -3.168 2.707 -8.471 1.00 0.00 N ATOM 1181 CA MET A 81 -2.522 1.682 -7.607 1.00 0.00 C ATOM 1182 C MET A 81 -2.162 2.340 -6.246 1.00 0.00 C ATOM 1183 O MET A 81 -2.740 1.995 -5.208 1.00 0.00 O ATOM 1184 CB MET A 81 -1.277 1.059 -8.302 1.00 0.00 C ATOM 1185 CG MET A 81 -0.999 -0.422 -7.981 1.00 0.00 C ATOM 1186 SD MET A 81 0.074 -1.138 -9.247 1.00 0.00 S ATOM 1187 CE MET A 81 -1.070 -1.292 -10.634 1.00 0.00 C ATOM 0 H MET A 81 -2.732 2.800 -9.388 1.00 0.00 H new ATOM 0 HA MET A 81 -3.214 0.858 -7.432 1.00 0.00 H new ATOM 0 HB2 MET A 81 -1.398 1.161 -9.380 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.399 1.642 -8.023 1.00 0.00 H new ATOM 0 HG2 MET A 81 -0.528 -0.508 -7.002 1.00 0.00 H new ATOM 0 HG3 MET A 81 -1.937 -0.975 -7.933 1.00 0.00 H new ATOM 0 HE1 MET A 81 -1.188 -2.344 -10.893 1.00 0.00 H new ATOM 0 HE2 MET A 81 -2.038 -0.877 -10.355 1.00 0.00 H new ATOM 0 HE3 MET A 81 -0.676 -0.748 -11.493 1.00 0.00 H new ATOM 1197 N MET A 82 -1.179 3.260 -6.266 1.00 0.00 N ATOM 1198 CA MET A 82 -0.636 3.890 -5.032 1.00 0.00 C ATOM 1199 C MET A 82 -1.778 4.605 -4.259 1.00 0.00 C ATOM 1200 O MET A 82 -1.784 4.625 -3.022 1.00 0.00 O ATOM 1201 CB MET A 82 0.523 4.861 -5.395 1.00 0.00 C ATOM 1202 CG MET A 82 0.107 6.318 -5.673 1.00 0.00 C ATOM 1203 SD MET A 82 1.494 7.449 -5.413 1.00 0.00 S ATOM 1204 CE MET A 82 1.553 7.545 -3.612 1.00 0.00 C ATOM 0 H MET A 82 -0.738 3.590 -7.125 1.00 0.00 H new ATOM 0 HA MET A 82 -0.224 3.123 -4.376 1.00 0.00 H new ATOM 0 HB2 MET A 82 1.245 4.858 -4.579 1.00 0.00 H new ATOM 0 HB3 MET A 82 1.035 4.474 -6.276 1.00 0.00 H new ATOM 0 HG2 MET A 82 -0.253 6.408 -6.698 1.00 0.00 H new ATOM 0 HG3 MET A 82 -0.720 6.595 -5.019 1.00 0.00 H new ATOM 0 HE1 MET A 82 2.197 8.372 -3.313 1.00 0.00 H new ATOM 0 HE2 MET A 82 0.548 7.708 -3.223 1.00 0.00 H new ATOM 0 HE3 MET A 82 1.950 6.613 -3.211 1.00 0.00 H new ATOM 1214 N VAL A 83 -2.718 5.215 -5.004 1.00 0.00 N ATOM 1215 CA VAL A 83 -3.809 6.046 -4.426 1.00 0.00 C ATOM 1216 C VAL A 83 -4.674 5.137 -3.512 1.00 0.00 C ATOM 1217 O VAL A 83 -5.178 5.585 -2.474 1.00 0.00 O ATOM 1218 CB VAL A 83 -4.632 6.787 -5.541 1.00 0.00 C ATOM 1219 CG1 VAL A 83 -6.162 6.680 -5.328 1.00 0.00 C ATOM 1220 CG2 VAL A 83 -4.274 8.285 -5.705 1.00 0.00 C ATOM 0 H VAL A 83 -2.749 5.151 -6.021 1.00 0.00 H new ATOM 0 HA VAL A 83 -3.393 6.849 -3.818 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.345 6.263 -6.452 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -6.679 7.210 -6.128 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -6.458 5.631 -5.337 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -6.428 7.123 -4.368 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -4.887 8.721 -6.494 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.462 8.809 -4.768 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.221 8.381 -5.969 1.00 0.00 H new ATOM 1230 N ARG A 84 -4.849 3.865 -3.916 1.00 0.00 N ATOM 1231 CA ARG A 84 -5.745 2.898 -3.224 1.00 0.00 C ATOM 1232 C ARG A 84 -5.089 2.500 -1.874 1.00 0.00 C ATOM 1233 O ARG A 84 -5.786 2.265 -0.879 1.00 0.00 O ATOM 1234 CB ARG A 84 -5.997 1.652 -4.120 1.00 0.00 C ATOM 1235 CG ARG A 84 -7.277 1.716 -4.986 1.00 0.00 C ATOM 1236 CD ARG A 84 -7.234 0.750 -6.185 1.00 0.00 C ATOM 1237 NE ARG A 84 -7.705 -0.609 -5.815 1.00 0.00 N ATOM 1238 CZ ARG A 84 -7.400 -1.736 -6.489 1.00 0.00 C ATOM 1239 NH1 ARG A 84 -7.216 -1.719 -7.802 1.00 0.00 N ATOM 1240 NH2 ARG A 84 -7.313 -2.903 -5.866 1.00 0.00 N ATOM 0 H ARG A 84 -4.377 3.471 -4.730 1.00 0.00 H new ATOM 0 HA ARG A 84 -6.715 3.357 -3.031 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -5.138 1.517 -4.778 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -6.052 0.770 -3.482 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -8.142 1.480 -4.366 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -7.414 2.734 -5.350 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -7.854 1.143 -6.991 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -6.215 0.690 -6.567 1.00 0.00 H new ATOM 0 HE ARG A 84 -8.302 -0.696 -4.992 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -7.305 -0.844 -8.318 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -6.986 -2.581 -8.296 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -7.478 -2.958 -4.861 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -7.081 -3.746 -6.392 1.00 0.00 H new ATOM 1254 N GLN A 85 -3.747 2.398 -1.865 1.00 0.00 N ATOM 1255 CA GLN A 85 -2.976 1.915 -0.687 1.00 0.00 C ATOM 1256 C GLN A 85 -2.925 3.040 0.382 1.00 0.00 C ATOM 1257 O GLN A 85 -2.860 2.762 1.586 1.00 0.00 O ATOM 1258 CB GLN A 85 -1.558 1.453 -1.132 1.00 0.00 C ATOM 1259 CG GLN A 85 -1.496 0.149 -1.965 1.00 0.00 C ATOM 1260 CD GLN A 85 -1.419 -1.140 -1.127 1.00 0.00 C ATOM 1261 OE1 GLN A 85 -2.288 -2.008 -1.208 1.00 0.00 O ATOM 1262 NE2 GLN A 85 -0.384 -1.297 -0.314 1.00 0.00 N ATOM 0 H GLN A 85 -3.163 2.644 -2.664 1.00 0.00 H new ATOM 0 HA GLN A 85 -3.466 1.050 -0.240 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -1.103 2.254 -1.715 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -0.945 1.320 -0.241 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -2.377 0.099 -2.605 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -0.627 0.193 -2.622 1.00 0.00 H new ATOM 0 HE21 GLN A 85 0.331 -0.572 -0.253 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -0.303 -2.142 0.251 1.00 0.00 H new ATOM 1271 N MET A 86 -2.940 4.306 -0.073 1.00 0.00 N ATOM 1272 CA MET A 86 -2.789 5.496 0.805 1.00 0.00 C ATOM 1273 C MET A 86 -4.028 5.563 1.739 1.00 0.00 C ATOM 1274 O MET A 86 -3.891 5.746 2.955 1.00 0.00 O ATOM 1275 CB MET A 86 -2.601 6.794 -0.041 1.00 0.00 C ATOM 1276 CG MET A 86 -3.838 7.710 -0.100 1.00 0.00 C ATOM 1277 SD MET A 86 -3.393 9.348 -0.709 1.00 0.00 S ATOM 1278 CE MET A 86 -3.735 9.178 -2.473 1.00 0.00 C ATOM 0 H MET A 86 -3.057 4.540 -1.059 1.00 0.00 H new ATOM 0 HA MET A 86 -1.891 5.410 1.417 1.00 0.00 H new ATOM 0 HB2 MET A 86 -1.766 7.361 0.370 1.00 0.00 H new ATOM 0 HB3 MET A 86 -2.326 6.512 -1.057 1.00 0.00 H new ATOM 0 HG2 MET A 86 -4.593 7.268 -0.750 1.00 0.00 H new ATOM 0 HG3 MET A 86 -4.282 7.794 0.892 1.00 0.00 H new ATOM 0 HE1 MET A 86 -4.011 10.149 -2.885 1.00 0.00 H new ATOM 0 HE2 MET A 86 -2.845 8.807 -2.982 1.00 0.00 H new ATOM 0 HE3 MET A 86 -4.556 8.476 -2.618 1.00 0.00 H new ATOM 1288 N LYS A 87 -5.230 5.443 1.145 1.00 0.00 N ATOM 1289 CA LYS A 87 -6.515 5.478 1.893 1.00 0.00 C ATOM 1290 C LYS A 87 -6.486 4.355 2.965 1.00 0.00 C ATOM 1291 O LYS A 87 -6.028 3.238 2.697 1.00 0.00 O ATOM 1292 CB LYS A 87 -7.744 5.285 0.960 1.00 0.00 C ATOM 1293 CG LYS A 87 -8.265 3.835 0.832 1.00 0.00 C ATOM 1294 CD LYS A 87 -9.599 3.684 0.071 1.00 0.00 C ATOM 1295 CE LYS A 87 -9.456 3.383 -1.435 1.00 0.00 C ATOM 1296 NZ LYS A 87 -10.635 2.668 -1.955 1.00 0.00 N ATOM 0 H LYS A 87 -5.345 5.319 0.139 1.00 0.00 H new ATOM 0 HA LYS A 87 -6.619 6.459 2.358 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -8.557 5.913 1.325 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -7.483 5.647 -0.034 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.507 3.236 0.327 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -8.386 3.419 1.832 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -10.176 2.883 0.534 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -10.175 4.602 0.190 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -9.323 4.316 -1.983 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -8.561 2.784 -1.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -10.508 2.481 -2.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -10.746 1.767 -1.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -11.485 3.251 -1.815 1.00 0.00 H new ATOM 1310 N GLU A 88 -6.977 4.673 4.178 1.00 0.00 N ATOM 1311 CA GLU A 88 -7.018 3.713 5.313 1.00 0.00 C ATOM 1312 C GLU A 88 -7.527 4.467 6.572 1.00 0.00 C ATOM 1313 O GLU A 88 -8.199 3.883 7.430 1.00 0.00 O ATOM 1314 CB GLU A 88 -5.627 3.044 5.507 1.00 0.00 C ATOM 1315 CG GLU A 88 -5.591 1.498 5.457 1.00 0.00 C ATOM 1316 CD GLU A 88 -6.005 0.818 6.766 1.00 0.00 C ATOM 1317 OE1 GLU A 88 -7.212 0.544 6.951 1.00 0.00 O ATOM 1318 OE2 GLU A 88 -5.126 0.558 7.618 1.00 0.00 O ATOM 0 H GLU A 88 -7.355 5.593 4.404 1.00 0.00 H new ATOM 0 HA GLU A 88 -7.711 2.896 5.112 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -4.955 3.426 4.739 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -5.226 3.364 6.469 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -6.250 1.156 4.659 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -4.582 1.177 5.197 1.00 0.00 H new ATOM 1325 N ASP A 89 -7.194 5.768 6.662 1.00 0.00 N ATOM 1326 CA ASP A 89 -7.669 6.655 7.757 1.00 0.00 C ATOM 1327 C ASP A 89 -7.678 8.120 7.244 1.00 0.00 C ATOM 1328 O ASP A 89 -6.666 8.619 6.737 1.00 0.00 O ATOM 1329 CB ASP A 89 -6.819 6.477 9.049 1.00 0.00 C ATOM 1330 CG ASP A 89 -7.353 7.176 10.311 1.00 0.00 C ATOM 1331 OD1 ASP A 89 -7.693 8.378 10.241 1.00 0.00 O ATOM 1332 OD2 ASP A 89 -7.439 6.522 11.374 1.00 0.00 O ATOM 0 H ASP A 89 -6.592 6.238 5.986 1.00 0.00 H new ATOM 0 HA ASP A 89 -8.686 6.379 8.037 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -6.732 5.411 9.258 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -5.813 6.847 8.852 1.00 0.00 H new ATOM 1337 N ALA A 90 -8.825 8.803 7.413 1.00 0.00 N ATOM 1338 CA ALA A 90 -8.971 10.245 7.079 1.00 0.00 C ATOM 1339 C ALA A 90 -8.729 11.076 8.354 1.00 0.00 C ATOM 1340 O ALA A 90 -9.737 11.472 9.016 1.00 0.00 O ATOM 1341 CB ALA A 90 -10.354 10.526 6.456 1.00 0.00 C ATOM 1342 OXT ALA A 90 -7.543 11.347 8.718 1.00 0.00 O ATOM 0 H ALA A 90 -9.677 8.380 7.782 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.231 10.531 6.331 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -10.438 11.587 6.220 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -10.468 9.941 5.543 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -11.135 10.249 7.164 1.00 0.00 H new TER 1348 ALA A 90 HETATM 1349 CA CA A 91 4.711 -2.566 -23.996 1.00 0.00 CA HETATM 1350 CA CA A 92 -6.055 -2.950 -16.303 1.00 0.00 CA