USER MOD reduce.3.24.130724 H: found=0, std=0, add=1018, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1012 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 39 HIS : no HD1:sc= -2.1 K(o=-0.15,f=-0.72!) USER MOD Set 1.2: A 120 CYS SG : rot -144:sc= -0.266 USER MOD Set 1.3: A 122 CYS SG : rot 55:sc= 0.84 USER MOD Set 1.4: A 127 CYS SG : rot 130:sc= 1.38 USER MOD Set 2.1: A 101 ASN : amide:sc= -0.0128 X(o=-0.22,f=-0.21) USER MOD Set 2.2: A 103 MET CE :methyl -118:sc= -0.209 (180deg=-1.36) USER MOD Set 3.1: A 75 SER OG : rot -29:sc= 0.684 USER MOD Set 3.2: A 76 GLN :FLIP amide:sc= -2.31! C(o=-3.5!,f=-1.6!) USER MOD Set 4.1: A 71 HIS :FLIP no HE2:sc= -10.9! C(o=-14!,f=-11!) USER MOD Set 4.2: A 82 CYS SG : rot 109:sc= -0.618 USER MOD Set 5.1: A 54 LYS NZ :NH3+ -151:sc= -2.75 (180deg=0) USER MOD Set 5.2: A 57 HIS :FLIP no HD1:sc= -2.86 F(o=-6.2,f=-5.6) USER MOD Set 6.1: A 11 THR OG1 : rot 180:sc= -0.653 USER MOD Set 6.2: A 12 SER OG : rot 180:sc= 0.0547 USER MOD Set 6.3: A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot -72:sc= -1.54 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -8.37! C(o=-8.4!,f=-11!) USER MOD Single : A 19 HIS : no HE2:sc= -2.24! C(o=-2.2!,f=-4.1!) USER MOD Single : A 23 ASN : amide:sc= -5.8! C(o=-5.8!,f=-15!) USER MOD Single : A 35 ASN :FLIP amide:sc= 0 F(o=-0.55,f=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -16:sc= 0.756 USER MOD Single : A 45 HIS : no HD1:sc= 0.0432 K(o=0.043,f=-1.4!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -130:sc=-0.00907 USER MOD Single : A 50 SER OG : rot 150:sc= -0.0978 USER MOD Single : A 56 SER OG : rot 180:sc= 0.0063 USER MOD Single : A 60 GLN : amide:sc= -0.741 X(o=-0.74,f=-0.47) USER MOD Single : A 61 ASN :FLIP amide:sc= -0.472 F(o=-2.1,f=-0.47) USER MOD Single : A 63 LYS NZ :NH3+ 160:sc= -0.673 (180deg=-1.66!) USER MOD Single : A 65 LYS NZ :NH3+ -158:sc= -0.318 (180deg=-1.04) USER MOD Single : A 67 THR OG1 : rot -76:sc= -2.81 USER MOD Single : A 72 SER OG : rot 180:sc= -1.31 USER MOD Single : A 81 THR OG1 : rot -140:sc= -0.726 USER MOD Single : A 88 ASN : amide:sc= -0.477! X(o=-0.48!,f=-0.16) USER MOD Single : A 89 TYR OH : rot -30:sc= -3.97! USER MOD Single : A 93 LYS NZ :NH3+ 161:sc= -0.173 (180deg=-0.696) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.84 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 115 SER OG : rot -72:sc= 1.02 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 LYS NZ :NH3+ -155:sc= -0.208 (180deg=-0.542) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.369 21.602 8.780 1.00 0.00 N ATOM 2 CA MET A 1 7.735 22.121 8.512 1.00 0.00 C ATOM 3 C MET A 1 8.465 21.258 7.491 1.00 0.00 C ATOM 4 O MET A 1 8.794 21.715 6.397 1.00 0.00 O ATOM 5 CB MET A 1 8.516 22.149 9.827 1.00 0.00 C ATOM 6 CG MET A 1 9.919 22.715 9.686 1.00 0.00 C ATOM 7 SD MET A 1 10.952 22.379 11.125 1.00 0.00 S ATOM 8 CE MET A 1 10.887 23.961 11.962 1.00 0.00 C ATOM 0 H1 MET A 1 5.897 22.211 9.479 1.00 0.00 H new ATOM 0 H2 MET A 1 5.819 21.599 7.897 1.00 0.00 H new ATOM 0 H3 MET A 1 6.433 20.633 9.152 1.00 0.00 H new ATOM 0 HA MET A 1 7.656 23.126 8.098 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.964 22.743 10.556 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.580 21.136 10.224 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.390 22.291 8.799 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.858 23.792 9.531 1.00 0.00 H new ATOM 0 HE1 MET A 1 11.480 23.914 12.875 1.00 0.00 H new ATOM 0 HE2 MET A 1 11.288 24.735 11.308 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.853 24.198 12.213 1.00 0.00 H new ATOM 18 N ALA A 2 8.720 20.006 7.858 1.00 0.00 N ATOM 19 CA ALA A 2 9.416 19.079 6.974 1.00 0.00 C ATOM 20 C ALA A 2 9.072 17.631 7.308 1.00 0.00 C ATOM 21 O ALA A 2 9.350 17.152 8.407 1.00 0.00 O ATOM 22 CB ALA A 2 10.919 19.299 7.061 1.00 0.00 C ATOM 0 H ALA A 2 8.455 19.611 8.760 1.00 0.00 H new ATOM 0 HA ALA A 2 9.087 19.274 5.953 1.00 0.00 H new ATOM 0 HB1 ALA A 2 11.428 18.601 6.396 1.00 0.00 H new ATOM 0 HB2 ALA A 2 11.155 20.321 6.764 1.00 0.00 H new ATOM 0 HB3 ALA A 2 11.252 19.133 8.085 1.00 0.00 H new ATOM 28 N MET A 3 8.470 16.939 6.347 1.00 0.00 N ATOM 29 CA MET A 3 8.089 15.544 6.528 1.00 0.00 C ATOM 30 C MET A 3 7.538 14.968 5.227 1.00 0.00 C ATOM 31 O MET A 3 7.472 15.660 4.211 1.00 0.00 O ATOM 32 CB MET A 3 7.055 15.407 7.648 1.00 0.00 C ATOM 33 CG MET A 3 5.864 16.340 7.501 1.00 0.00 C ATOM 34 SD MET A 3 4.331 15.607 8.104 1.00 0.00 S ATOM 35 CE MET A 3 3.734 16.905 9.184 1.00 0.00 C ATOM 0 H MET A 3 8.235 17.323 5.432 1.00 0.00 H new ATOM 0 HA MET A 3 8.979 14.981 6.809 1.00 0.00 H new ATOM 0 HB2 MET A 3 6.697 14.378 7.675 1.00 0.00 H new ATOM 0 HB3 MET A 3 7.541 15.601 8.604 1.00 0.00 H new ATOM 0 HG2 MET A 3 6.060 17.263 8.047 1.00 0.00 H new ATOM 0 HG3 MET A 3 5.745 16.609 6.451 1.00 0.00 H new ATOM 0 HE1 MET A 3 2.789 16.599 9.633 1.00 0.00 H new ATOM 0 HE2 MET A 3 4.466 17.090 9.970 1.00 0.00 H new ATOM 0 HE3 MET A 3 3.582 17.817 8.607 1.00 0.00 H new ATOM 45 N ALA A 4 7.147 13.699 5.260 1.00 0.00 N ATOM 46 CA ALA A 4 6.607 13.038 4.078 1.00 0.00 C ATOM 47 C ALA A 4 7.626 13.034 2.943 1.00 0.00 C ATOM 48 O ALA A 4 7.516 13.810 1.993 1.00 0.00 O ATOM 49 CB ALA A 4 5.321 13.719 3.632 1.00 0.00 C ATOM 0 H ALA A 4 7.194 13.109 6.090 1.00 0.00 H new ATOM 0 HA ALA A 4 6.384 12.003 4.339 1.00 0.00 H new ATOM 0 HB1 ALA A 4 4.930 13.215 2.749 1.00 0.00 H new ATOM 0 HB2 ALA A 4 4.585 13.668 4.435 1.00 0.00 H new ATOM 0 HB3 ALA A 4 5.526 14.763 3.393 1.00 0.00 H new ATOM 55 N ARG A 5 8.620 12.158 3.049 1.00 0.00 N ATOM 56 CA ARG A 5 9.660 12.054 2.031 1.00 0.00 C ATOM 57 C ARG A 5 10.127 10.610 1.879 1.00 0.00 C ATOM 58 O ARG A 5 11.014 10.154 2.601 1.00 0.00 O ATOM 59 CB ARG A 5 10.844 12.955 2.390 1.00 0.00 C ATOM 60 CG ARG A 5 11.204 13.949 1.299 1.00 0.00 C ATOM 61 CD ARG A 5 10.399 15.232 1.425 1.00 0.00 C ATOM 62 NE ARG A 5 11.050 16.203 2.301 1.00 0.00 N ATOM 63 CZ ARG A 5 12.068 16.975 1.925 1.00 0.00 C ATOM 64 NH1 ARG A 5 12.551 16.894 0.691 1.00 0.00 N ATOM 65 NH2 ARG A 5 12.601 17.832 2.784 1.00 0.00 N ATOM 0 H ARG A 5 8.727 11.510 3.829 1.00 0.00 H new ATOM 0 HA ARG A 5 9.241 12.382 1.080 1.00 0.00 H new ATOM 0 HB2 ARG A 5 10.611 13.500 3.304 1.00 0.00 H new ATOM 0 HB3 ARG A 5 11.713 12.332 2.603 1.00 0.00 H new ATOM 0 HG2 ARG A 5 12.268 14.179 1.352 1.00 0.00 H new ATOM 0 HG3 ARG A 5 11.024 13.500 0.322 1.00 0.00 H new ATOM 0 HD2 ARG A 5 10.260 15.671 0.437 1.00 0.00 H new ATOM 0 HD3 ARG A 5 9.407 15.001 1.814 1.00 0.00 H new ATOM 0 HE ARG A 5 10.705 16.295 3.256 1.00 0.00 H new ATOM 0 HH11 ARG A 5 12.142 16.238 0.025 1.00 0.00 H new ATOM 0 HH12 ARG A 5 13.331 17.488 0.409 1.00 0.00 H new ATOM 0 HH21 ARG A 5 12.232 17.900 3.732 1.00 0.00 H new ATOM 0 HH22 ARG A 5 13.381 18.424 2.497 1.00 0.00 H new ATOM 79 N SER A 6 9.522 9.893 0.936 1.00 0.00 N ATOM 80 CA SER A 6 9.871 8.499 0.691 1.00 0.00 C ATOM 81 C SER A 6 9.558 7.641 1.913 1.00 0.00 C ATOM 82 O SER A 6 9.784 8.057 3.048 1.00 0.00 O ATOM 83 CB SER A 6 11.351 8.373 0.329 1.00 0.00 C ATOM 84 OG SER A 6 11.711 9.294 -0.686 1.00 0.00 O ATOM 0 H SER A 6 8.787 10.256 0.329 1.00 0.00 H new ATOM 0 HA SER A 6 9.272 8.143 -0.147 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.961 8.548 1.215 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.561 7.357 -0.007 1.00 0.00 H new ATOM 0 HG SER A 6 12.663 9.193 -0.897 1.00 0.00 H new ATOM 90 N ILE A 7 9.034 6.441 1.666 1.00 0.00 N ATOM 91 CA ILE A 7 8.680 5.508 2.739 1.00 0.00 C ATOM 92 C ILE A 7 8.033 6.239 3.914 1.00 0.00 C ATOM 93 O ILE A 7 8.367 5.993 5.073 1.00 0.00 O ATOM 94 CB ILE A 7 9.908 4.718 3.254 1.00 0.00 C ATOM 95 CG1 ILE A 7 11.066 4.777 2.250 1.00 0.00 C ATOM 96 CG2 ILE A 7 9.525 3.273 3.533 1.00 0.00 C ATOM 97 CD1 ILE A 7 11.999 5.946 2.475 1.00 0.00 C ATOM 0 H ILE A 7 8.844 6.089 0.728 1.00 0.00 H new ATOM 0 HA ILE A 7 7.968 4.803 2.309 1.00 0.00 H new ATOM 0 HB ILE A 7 10.243 5.182 4.182 1.00 0.00 H new ATOM 0 HG12 ILE A 7 11.636 3.850 2.310 1.00 0.00 H new ATOM 0 HG13 ILE A 7 10.659 4.836 1.241 1.00 0.00 H new ATOM 0 HG21 ILE A 7 10.397 2.729 3.894 1.00 0.00 H new ATOM 0 HG22 ILE A 7 8.740 3.244 4.289 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.162 2.809 2.616 1.00 0.00 H new ATOM 0 HD11 ILE A 7 12.794 5.926 1.730 1.00 0.00 H new ATOM 0 HD12 ILE A 7 11.442 6.879 2.386 1.00 0.00 H new ATOM 0 HD13 ILE A 7 12.434 5.877 3.472 1.00 0.00 H new ATOM 109 N SER A 8 7.120 7.155 3.606 1.00 0.00 N ATOM 110 CA SER A 8 6.450 7.938 4.645 1.00 0.00 C ATOM 111 C SER A 8 5.013 8.279 4.260 1.00 0.00 C ATOM 112 O SER A 8 4.591 8.047 3.133 1.00 0.00 O ATOM 113 CB SER A 8 7.231 9.222 4.922 1.00 0.00 C ATOM 114 OG SER A 8 7.337 10.017 3.754 1.00 0.00 O ATOM 0 H SER A 8 6.827 7.374 2.654 1.00 0.00 H new ATOM 0 HA SER A 8 6.418 7.327 5.547 1.00 0.00 H new ATOM 0 HB2 SER A 8 6.735 9.790 5.709 1.00 0.00 H new ATOM 0 HB3 SER A 8 8.227 8.974 5.288 1.00 0.00 H new ATOM 0 HG SER A 8 7.963 9.597 3.128 1.00 0.00 H new ATOM 120 N TYR A 9 4.269 8.829 5.219 1.00 0.00 N ATOM 121 CA TYR A 9 2.867 9.206 4.994 1.00 0.00 C ATOM 122 C TYR A 9 2.749 10.593 4.386 1.00 0.00 C ATOM 123 O TYR A 9 3.633 11.435 4.547 1.00 0.00 O ATOM 124 CB TYR A 9 2.042 9.171 6.294 1.00 0.00 C ATOM 125 CG TYR A 9 2.836 9.433 7.550 1.00 0.00 C ATOM 126 CD1 TYR A 9 3.920 10.291 7.531 1.00 0.00 C ATOM 127 CD2 TYR A 9 2.498 8.825 8.750 1.00 0.00 C ATOM 128 CE1 TYR A 9 4.654 10.540 8.672 1.00 0.00 C ATOM 129 CE2 TYR A 9 3.226 9.068 9.899 1.00 0.00 C ATOM 130 CZ TYR A 9 4.303 9.925 9.855 1.00 0.00 C ATOM 131 OH TYR A 9 5.031 10.170 10.996 1.00 0.00 O ATOM 0 H TYR A 9 4.610 9.025 6.160 1.00 0.00 H new ATOM 0 HA TYR A 9 2.470 8.467 4.298 1.00 0.00 H new ATOM 0 HB2 TYR A 9 1.245 9.911 6.223 1.00 0.00 H new ATOM 0 HB3 TYR A 9 1.564 8.195 6.379 1.00 0.00 H new ATOM 0 HD1 TYR A 9 4.197 10.775 6.606 1.00 0.00 H new ATOM 0 HD2 TYR A 9 1.654 8.152 8.787 1.00 0.00 H new ATOM 0 HE1 TYR A 9 5.498 11.213 8.639 1.00 0.00 H new ATOM 0 HE2 TYR A 9 2.952 8.588 10.827 1.00 0.00 H new ATOM 0 HH TYR A 9 4.652 9.660 11.742 1.00 0.00 H new ATOM 141 N ILE A 10 1.647 10.817 3.676 1.00 0.00 N ATOM 142 CA ILE A 10 1.404 12.108 3.030 1.00 0.00 C ATOM 143 C ILE A 10 0.020 12.667 3.416 1.00 0.00 C ATOM 144 O ILE A 10 -0.814 11.937 3.953 1.00 0.00 O ATOM 145 CB ILE A 10 1.595 12.022 1.499 1.00 0.00 C ATOM 146 CG1 ILE A 10 2.186 10.668 1.103 1.00 0.00 C ATOM 147 CG2 ILE A 10 2.527 13.139 1.036 1.00 0.00 C ATOM 148 CD1 ILE A 10 3.623 10.494 1.547 1.00 0.00 C ATOM 0 H ILE A 10 0.910 10.127 3.532 1.00 0.00 H new ATOM 0 HA ILE A 10 2.150 12.813 3.397 1.00 0.00 H new ATOM 0 HB ILE A 10 0.621 12.131 1.021 1.00 0.00 H new ATOM 0 HG12 ILE A 10 1.579 9.873 1.536 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.131 10.557 0.020 1.00 0.00 H new ATOM 0 HG21 ILE A 10 2.661 13.077 -0.044 1.00 0.00 H new ATOM 0 HG22 ILE A 10 2.093 14.105 1.293 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.494 13.033 1.528 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.984 9.514 1.236 1.00 0.00 H new ATOM 0 HD12 ILE A 10 4.241 11.269 1.093 1.00 0.00 H new ATOM 0 HD13 ILE A 10 3.681 10.574 2.633 1.00 0.00 H new ATOM 160 N THR A 11 -0.204 13.978 3.208 1.00 0.00 N ATOM 161 CA THR A 11 -1.471 14.617 3.619 1.00 0.00 C ATOM 162 C THR A 11 -2.515 14.731 2.504 1.00 0.00 C ATOM 163 O THR A 11 -2.242 14.468 1.344 1.00 0.00 O ATOM 164 CB THR A 11 -1.207 15.994 4.249 1.00 0.00 C ATOM 165 OG1 THR A 11 -2.405 16.744 4.341 1.00 0.00 O ATOM 166 CG2 THR A 11 -0.200 16.841 3.500 1.00 0.00 C ATOM 0 H THR A 11 0.464 14.609 2.765 1.00 0.00 H new ATOM 0 HA THR A 11 -1.904 13.947 4.362 1.00 0.00 H new ATOM 0 HB THR A 11 -0.794 15.768 5.232 1.00 0.00 H new ATOM 0 HG1 THR A 11 -2.215 17.616 4.746 1.00 0.00 H new ATOM 0 HG21 THR A 11 -0.074 17.795 4.013 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.757 16.320 3.462 1.00 0.00 H new ATOM 0 HG23 THR A 11 -0.557 17.019 2.486 1.00 0.00 H new ATOM 174 N SER A 12 -3.729 15.133 2.882 1.00 0.00 N ATOM 175 CA SER A 12 -4.825 15.295 1.927 1.00 0.00 C ATOM 176 C SER A 12 -4.451 16.295 0.832 1.00 0.00 C ATOM 177 O SER A 12 -4.564 15.997 -0.357 1.00 0.00 O ATOM 178 CB SER A 12 -6.092 15.761 2.647 1.00 0.00 C ATOM 179 OG SER A 12 -5.772 16.494 3.818 1.00 0.00 O ATOM 0 H SER A 12 -3.978 15.353 3.846 1.00 0.00 H new ATOM 0 HA SER A 12 -5.014 14.328 1.462 1.00 0.00 H new ATOM 0 HB2 SER A 12 -6.688 16.381 1.977 1.00 0.00 H new ATOM 0 HB3 SER A 12 -6.703 14.898 2.910 1.00 0.00 H new ATOM 0 HG SER A 12 -6.598 16.782 4.259 1.00 0.00 H new ATOM 185 N THR A 13 -3.988 17.475 1.240 1.00 0.00 N ATOM 186 CA THR A 13 -3.578 18.510 0.293 1.00 0.00 C ATOM 187 C THR A 13 -2.433 18.008 -0.556 1.00 0.00 C ATOM 188 O THR A 13 -2.347 18.312 -1.742 1.00 0.00 O ATOM 189 CB THR A 13 -3.173 19.797 1.005 1.00 0.00 C ATOM 190 OG1 THR A 13 -2.290 19.522 2.078 1.00 0.00 O ATOM 191 CG2 THR A 13 -4.346 20.576 1.560 1.00 0.00 C ATOM 0 H THR A 13 -3.887 17.738 2.220 1.00 0.00 H new ATOM 0 HA THR A 13 -4.433 18.737 -0.344 1.00 0.00 H new ATOM 0 HB THR A 13 -2.688 20.405 0.241 1.00 0.00 H new ATOM 0 HG1 THR A 13 -2.041 20.361 2.520 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.983 21.478 2.052 1.00 0.00 H new ATOM 0 HG22 THR A 13 -5.017 20.851 0.747 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.883 19.960 2.281 1.00 0.00 H new ATOM 199 N GLN A 14 -1.564 17.211 0.051 1.00 0.00 N ATOM 200 CA GLN A 14 -0.437 16.641 -0.667 1.00 0.00 C ATOM 201 C GLN A 14 -0.970 15.863 -1.869 1.00 0.00 C ATOM 202 O GLN A 14 -0.249 15.608 -2.834 1.00 0.00 O ATOM 203 CB GLN A 14 0.350 15.716 0.273 1.00 0.00 C ATOM 204 CG GLN A 14 -0.050 14.259 0.171 1.00 0.00 C ATOM 205 CD GLN A 14 0.536 13.555 -1.040 1.00 0.00 C ATOM 206 OE1 GLN A 14 1.421 14.084 -1.711 1.00 0.00 O ATOM 207 NE2 GLN A 14 0.042 12.354 -1.323 1.00 0.00 N ATOM 0 H GLN A 14 -1.619 16.947 1.035 1.00 0.00 H new ATOM 0 HA GLN A 14 0.232 17.427 -1.016 1.00 0.00 H new ATOM 0 HB2 GLN A 14 1.413 15.808 0.052 1.00 0.00 H new ATOM 0 HB3 GLN A 14 0.208 16.051 1.300 1.00 0.00 H new ATOM 0 HG2 GLN A 14 0.269 13.738 1.074 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -1.137 14.191 0.131 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -0.692 11.954 -0.739 1.00 0.00 H new ATOM 0 HE22 GLN A 14 0.397 11.833 -2.125 1.00 0.00 H new ATOM 216 N LEU A 15 -2.254 15.514 -1.802 1.00 0.00 N ATOM 217 CA LEU A 15 -2.913 14.800 -2.875 1.00 0.00 C ATOM 218 C LEU A 15 -3.182 15.737 -4.049 1.00 0.00 C ATOM 219 O LEU A 15 -3.329 15.287 -5.184 1.00 0.00 O ATOM 220 CB LEU A 15 -4.226 14.191 -2.379 1.00 0.00 C ATOM 221 CG LEU A 15 -4.639 12.892 -3.069 1.00 0.00 C ATOM 222 CD1 LEU A 15 -5.451 12.021 -2.124 1.00 0.00 C ATOM 223 CD2 LEU A 15 -5.427 13.189 -4.336 1.00 0.00 C ATOM 0 H LEU A 15 -2.856 15.720 -1.005 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.257 13.997 -3.210 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.140 14.004 -1.309 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.022 14.924 -2.512 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.737 12.347 -3.346 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -5.736 11.100 -2.633 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.852 11.780 -1.246 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.348 12.558 -1.815 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.713 12.252 -4.815 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -6.323 13.756 -4.083 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.810 13.772 -5.020 1.00 0.00 H new ATOM 235 N LEU A 16 -3.261 17.045 -3.782 1.00 0.00 N ATOM 236 CA LEU A 16 -3.524 18.001 -4.855 1.00 0.00 C ATOM 237 C LEU A 16 -2.352 18.084 -5.851 1.00 0.00 C ATOM 238 O LEU A 16 -2.558 17.951 -7.057 1.00 0.00 O ATOM 239 CB LEU A 16 -3.840 19.383 -4.265 1.00 0.00 C ATOM 240 CG LEU A 16 -3.606 20.574 -5.200 1.00 0.00 C ATOM 241 CD1 LEU A 16 -4.714 21.604 -5.036 1.00 0.00 C ATOM 242 CD2 LEU A 16 -2.247 21.203 -4.931 1.00 0.00 C ATOM 0 H LEU A 16 -3.149 17.456 -2.855 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.392 17.647 -5.412 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.883 19.393 -3.948 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.234 19.523 -3.370 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.620 20.214 -6.229 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.533 22.443 -5.707 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.674 21.147 -5.277 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.730 21.960 -4.006 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.097 22.047 -5.604 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.205 21.550 -3.899 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.464 20.463 -5.098 1.00 0.00 H new ATOM 254 N PRO A 17 -1.114 18.333 -5.374 1.00 0.00 N ATOM 255 CA PRO A 17 0.062 18.465 -6.232 1.00 0.00 C ATOM 256 C PRO A 17 0.954 17.218 -6.294 1.00 0.00 C ATOM 257 O PRO A 17 2.144 17.330 -6.587 1.00 0.00 O ATOM 258 CB PRO A 17 0.808 19.588 -5.526 1.00 0.00 C ATOM 259 CG PRO A 17 0.547 19.348 -4.069 1.00 0.00 C ATOM 260 CD PRO A 17 -0.751 18.569 -3.970 1.00 0.00 C ATOM 0 HA PRO A 17 -0.213 18.635 -7.273 1.00 0.00 H new ATOM 0 HB2 PRO A 17 1.875 19.559 -5.749 1.00 0.00 H new ATOM 0 HB3 PRO A 17 0.443 20.566 -5.840 1.00 0.00 H new ATOM 0 HG2 PRO A 17 1.367 18.789 -3.618 1.00 0.00 H new ATOM 0 HG3 PRO A 17 0.471 20.293 -3.531 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.618 17.634 -3.427 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -1.521 19.135 -3.446 1.00 0.00 H new ATOM 268 N LEU A 18 0.401 16.040 -6.016 1.00 0.00 N ATOM 269 CA LEU A 18 1.206 14.812 -6.050 1.00 0.00 C ATOM 270 C LEU A 18 1.584 14.408 -7.478 1.00 0.00 C ATOM 271 O LEU A 18 2.344 13.460 -7.672 1.00 0.00 O ATOM 272 CB LEU A 18 0.490 13.644 -5.361 1.00 0.00 C ATOM 273 CG LEU A 18 -1.036 13.650 -5.443 1.00 0.00 C ATOM 274 CD1 LEU A 18 -1.506 13.846 -6.876 1.00 0.00 C ATOM 275 CD2 LEU A 18 -1.602 12.359 -4.871 1.00 0.00 C ATOM 0 H LEU A 18 -0.579 15.905 -5.769 1.00 0.00 H new ATOM 0 HA LEU A 18 2.121 15.038 -5.502 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.854 12.713 -5.797 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.777 13.637 -4.310 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.403 14.487 -4.850 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.596 13.846 -6.905 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.133 14.798 -7.254 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.127 13.035 -7.497 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.690 12.378 -4.936 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.219 11.511 -5.439 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.303 12.262 -3.827 1.00 0.00 H new ATOM 287 N HIS A 19 1.054 15.126 -8.475 1.00 0.00 N ATOM 288 CA HIS A 19 1.341 14.838 -9.887 1.00 0.00 C ATOM 289 C HIS A 19 0.438 13.730 -10.434 1.00 0.00 C ATOM 290 O HIS A 19 0.275 13.602 -11.647 1.00 0.00 O ATOM 291 CB HIS A 19 2.813 14.458 -10.088 1.00 0.00 C ATOM 292 CG HIS A 19 3.767 15.304 -9.300 1.00 0.00 C ATOM 293 ND1 HIS A 19 4.467 14.833 -8.207 1.00 0.00 N ATOM 294 CD2 HIS A 19 4.133 16.599 -9.449 1.00 0.00 C ATOM 295 CE1 HIS A 19 5.222 15.803 -7.720 1.00 0.00 C ATOM 296 NE2 HIS A 19 5.038 16.883 -8.455 1.00 0.00 N ATOM 0 H HIS A 19 0.422 15.913 -8.330 1.00 0.00 H new ATOM 0 HA HIS A 19 1.135 15.752 -10.444 1.00 0.00 H new ATOM 0 HB2 HIS A 19 2.951 13.414 -9.808 1.00 0.00 H new ATOM 0 HB3 HIS A 19 3.059 14.539 -11.147 1.00 0.00 H new ATOM 0 HD1 HIS A 19 4.411 13.885 -7.834 1.00 0.00 H new ATOM 0 HD2 HIS A 19 3.779 17.281 -10.208 1.00 0.00 H new ATOM 0 HE1 HIS A 19 5.878 15.725 -6.866 1.00 0.00 H new ATOM 305 N ARG A 20 -0.143 12.936 -9.537 1.00 0.00 N ATOM 306 CA ARG A 20 -1.033 11.840 -9.923 1.00 0.00 C ATOM 307 C ARG A 20 -0.408 10.951 -10.997 1.00 0.00 C ATOM 308 O ARG A 20 -1.066 10.574 -11.967 1.00 0.00 O ATOM 309 CB ARG A 20 -2.386 12.390 -10.398 1.00 0.00 C ATOM 310 CG ARG A 20 -2.369 13.002 -11.792 1.00 0.00 C ATOM 311 CD ARG A 20 -2.313 14.521 -11.738 1.00 0.00 C ATOM 312 NE ARG A 20 -1.488 15.076 -12.809 1.00 0.00 N ATOM 313 CZ ARG A 20 -1.776 14.959 -14.104 1.00 0.00 C ATOM 314 NH1 ARG A 20 -2.875 14.324 -14.493 1.00 0.00 N ATOM 315 NH2 ARG A 20 -0.965 15.482 -15.013 1.00 0.00 N ATOM 0 H ARG A 20 -0.013 13.032 -8.530 1.00 0.00 H new ATOM 0 HA ARG A 20 -1.194 11.221 -9.040 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.118 11.583 -10.379 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.726 13.145 -9.689 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.508 12.625 -12.344 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -3.259 12.690 -12.338 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -3.323 14.924 -11.812 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -1.915 14.835 -10.773 1.00 0.00 H new ATOM 0 HE ARG A 20 -0.642 15.583 -12.549 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -3.505 13.922 -13.798 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -3.090 14.238 -15.486 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -0.121 15.974 -14.720 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -1.185 15.392 -16.005 1.00 0.00 H new ATOM 329 N ARG A 21 0.864 10.613 -10.813 1.00 0.00 N ATOM 330 CA ARG A 21 1.574 9.764 -11.763 1.00 0.00 C ATOM 331 C ARG A 21 0.899 8.397 -11.885 1.00 0.00 C ATOM 332 O ARG A 21 0.510 7.800 -10.880 1.00 0.00 O ATOM 333 CB ARG A 21 3.031 9.592 -11.327 1.00 0.00 C ATOM 334 CG ARG A 21 4.028 9.734 -12.464 1.00 0.00 C ATOM 335 CD ARG A 21 5.282 10.469 -12.018 1.00 0.00 C ATOM 336 NE ARG A 21 5.270 11.871 -12.431 1.00 0.00 N ATOM 337 CZ ARG A 21 5.575 12.283 -13.660 1.00 0.00 C ATOM 338 NH1 ARG A 21 5.927 11.409 -14.593 1.00 0.00 N ATOM 339 NH2 ARG A 21 5.529 13.576 -13.955 1.00 0.00 N ATOM 0 H ARG A 21 1.424 10.914 -10.015 1.00 0.00 H new ATOM 0 HA ARG A 21 1.547 10.248 -12.739 1.00 0.00 H new ATOM 0 HB2 ARG A 21 3.261 10.331 -10.559 1.00 0.00 H new ATOM 0 HB3 ARG A 21 3.151 8.610 -10.870 1.00 0.00 H new ATOM 0 HG2 ARG A 21 4.298 8.746 -12.838 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.564 10.272 -13.291 1.00 0.00 H new ATOM 0 HD2 ARG A 21 5.370 10.411 -10.933 1.00 0.00 H new ATOM 0 HD3 ARG A 21 6.160 9.975 -12.435 1.00 0.00 H new ATOM 0 HE ARG A 21 5.013 12.574 -11.738 1.00 0.00 H new ATOM 0 HH11 ARG A 21 5.965 10.414 -14.371 1.00 0.00 H new ATOM 0 HH12 ARG A 21 6.159 11.732 -15.532 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.260 14.253 -13.241 1.00 0.00 H new ATOM 0 HH22 ARG A 21 5.762 13.893 -14.896 1.00 0.00 H new ATOM 353 N PRO A 22 0.754 7.876 -13.118 1.00 0.00 N ATOM 354 CA PRO A 22 0.127 6.569 -13.354 1.00 0.00 C ATOM 355 C PRO A 22 0.761 5.464 -12.514 1.00 0.00 C ATOM 356 O PRO A 22 0.136 4.440 -12.239 1.00 0.00 O ATOM 357 CB PRO A 22 0.374 6.317 -14.844 1.00 0.00 C ATOM 358 CG PRO A 22 0.542 7.673 -15.437 1.00 0.00 C ATOM 359 CD PRO A 22 1.193 8.513 -14.374 1.00 0.00 C ATOM 0 HA PRO A 22 -0.928 6.568 -13.079 1.00 0.00 H new ATOM 0 HB2 PRO A 22 1.262 5.705 -15.000 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -0.463 5.787 -15.299 1.00 0.00 H new ATOM 0 HG2 PRO A 22 1.159 7.632 -16.335 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -0.420 8.092 -15.731 1.00 0.00 H new ATOM 0 HD2 PRO A 22 2.279 8.509 -14.468 1.00 0.00 H new ATOM 0 HD3 PRO A 22 0.872 9.553 -14.431 1.00 0.00 H new ATOM 367 N ASN A 23 2.006 5.686 -12.106 1.00 0.00 N ATOM 368 CA ASN A 23 2.741 4.722 -11.290 1.00 0.00 C ATOM 369 C ASN A 23 2.155 4.668 -9.873 1.00 0.00 C ATOM 370 O ASN A 23 2.854 4.957 -8.909 1.00 0.00 O ATOM 371 CB ASN A 23 4.227 5.116 -11.195 1.00 0.00 C ATOM 372 CG ASN A 23 4.744 5.883 -12.405 1.00 0.00 C ATOM 373 OD1 ASN A 23 3.983 6.271 -13.291 1.00 0.00 O ATOM 374 ND2 ASN A 23 6.053 6.099 -12.447 1.00 0.00 N ATOM 0 H ASN A 23 2.532 6.531 -12.328 1.00 0.00 H new ATOM 0 HA ASN A 23 2.652 3.744 -11.764 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.375 5.724 -10.302 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.824 4.213 -11.068 1.00 0.00 H new ATOM 0 HD21 ASN A 23 6.462 6.603 -13.234 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.650 5.761 -11.692 1.00 0.00 H new ATOM 381 N ILE A 24 0.869 4.336 -9.730 1.00 0.00 N ATOM 382 CA ILE A 24 0.256 4.316 -8.398 1.00 0.00 C ATOM 383 C ILE A 24 -0.585 3.061 -8.123 1.00 0.00 C ATOM 384 O ILE A 24 -1.431 2.669 -8.927 1.00 0.00 O ATOM 385 CB ILE A 24 -0.614 5.581 -8.185 1.00 0.00 C ATOM 386 CG1 ILE A 24 0.216 6.691 -7.530 1.00 0.00 C ATOM 387 CG2 ILE A 24 -1.854 5.279 -7.350 1.00 0.00 C ATOM 388 CD1 ILE A 24 0.401 6.517 -6.036 1.00 0.00 C ATOM 0 H ILE A 24 0.246 4.084 -10.497 1.00 0.00 H new ATOM 0 HA ILE A 24 1.084 4.301 -7.689 1.00 0.00 H new ATOM 0 HB ILE A 24 -0.953 5.920 -9.164 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.196 6.728 -8.006 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -0.266 7.651 -7.718 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.438 6.191 -7.223 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -2.460 4.528 -7.857 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.552 4.902 -6.373 1.00 0.00 H new ATOM 0 HD11 ILE A 24 0.998 7.341 -5.645 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.573 6.511 -5.547 1.00 0.00 H new ATOM 0 HD13 ILE A 24 0.911 5.574 -5.840 1.00 0.00 H new ATOM 400 N ALA A 25 -0.356 2.471 -6.946 1.00 0.00 N ATOM 401 CA ALA A 25 -1.092 1.290 -6.491 1.00 0.00 C ATOM 402 C ALA A 25 -1.020 1.182 -4.966 1.00 0.00 C ATOM 403 O ALA A 25 -0.056 1.629 -4.355 1.00 0.00 O ATOM 404 CB ALA A 25 -0.565 0.023 -7.144 1.00 0.00 C ATOM 0 H ALA A 25 0.345 2.800 -6.282 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.134 1.404 -6.789 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -1.133 -0.835 -6.784 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.670 0.100 -8.226 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.487 -0.106 -6.890 1.00 0.00 H new ATOM 410 N ILE A 26 -2.045 0.601 -4.353 1.00 0.00 N ATOM 411 CA ILE A 26 -2.078 0.462 -2.895 1.00 0.00 C ATOM 412 C ILE A 26 -1.778 -0.974 -2.456 1.00 0.00 C ATOM 413 O ILE A 26 -2.466 -1.910 -2.863 1.00 0.00 O ATOM 414 CB ILE A 26 -3.442 0.891 -2.312 1.00 0.00 C ATOM 415 CG1 ILE A 26 -4.284 1.635 -3.355 1.00 0.00 C ATOM 416 CG2 ILE A 26 -3.251 1.753 -1.078 1.00 0.00 C ATOM 417 CD1 ILE A 26 -3.609 2.871 -3.910 1.00 0.00 C ATOM 0 H ILE A 26 -2.860 0.220 -4.835 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.301 1.122 -2.508 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.979 -0.014 -2.027 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.512 0.956 -4.177 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -5.234 1.922 -2.905 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.224 2.044 -0.683 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.706 1.189 -0.321 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.685 2.646 -1.342 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -4.263 3.345 -4.642 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.405 3.570 -3.099 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.672 2.589 -4.390 1.00 0.00 H new ATOM 429 N ILE A 27 -0.755 -1.142 -1.616 1.00 0.00 N ATOM 430 CA ILE A 27 -0.380 -2.463 -1.121 1.00 0.00 C ATOM 431 C ILE A 27 -0.998 -2.754 0.246 1.00 0.00 C ATOM 432 O ILE A 27 -1.091 -1.877 1.105 1.00 0.00 O ATOM 433 CB ILE A 27 1.152 -2.647 -1.055 1.00 0.00 C ATOM 434 CG1 ILE A 27 1.779 -1.701 -0.022 1.00 0.00 C ATOM 435 CG2 ILE A 27 1.767 -2.446 -2.433 1.00 0.00 C ATOM 436 CD1 ILE A 27 2.320 -0.406 -0.599 1.00 0.00 C ATOM 0 H ILE A 27 -0.174 -0.380 -1.266 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.778 -3.179 -1.840 1.00 0.00 H new ATOM 0 HB ILE A 27 1.363 -3.667 -0.732 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.031 -1.462 0.734 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.589 -2.224 0.486 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.847 -2.579 -2.372 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.350 -3.176 -3.127 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.544 -1.440 -2.788 1.00 0.00 H new ATOM 0 HD11 ILE A 27 2.744 0.200 0.202 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.094 -0.630 -1.333 1.00 0.00 H new ATOM 0 HD13 ILE A 27 1.511 0.144 -1.081 1.00 0.00 H new ATOM 448 N ASP A 28 -1.414 -4.002 0.436 1.00 0.00 N ATOM 449 CA ASP A 28 -2.016 -4.434 1.691 1.00 0.00 C ATOM 450 C ASP A 28 -1.388 -5.742 2.162 1.00 0.00 C ATOM 451 O ASP A 28 -1.493 -6.768 1.490 1.00 0.00 O ATOM 452 CB ASP A 28 -3.527 -4.610 1.524 1.00 0.00 C ATOM 453 CG ASP A 28 -4.290 -3.322 1.763 1.00 0.00 C ATOM 454 OD1 ASP A 28 -4.394 -2.509 0.820 1.00 0.00 O ATOM 455 OD2 ASP A 28 -4.785 -3.126 2.892 1.00 0.00 O ATOM 0 H ASP A 28 -1.344 -4.736 -0.269 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.831 -3.666 2.442 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -3.739 -4.973 0.518 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -3.880 -5.372 2.219 1.00 0.00 H new ATOM 460 N VAL A 29 -0.732 -5.700 3.316 1.00 0.00 N ATOM 461 CA VAL A 29 -0.084 -6.883 3.870 1.00 0.00 C ATOM 462 C VAL A 29 -1.039 -7.660 4.774 1.00 0.00 C ATOM 463 O VAL A 29 -0.768 -7.859 5.959 1.00 0.00 O ATOM 464 CB VAL A 29 1.183 -6.508 4.666 1.00 0.00 C ATOM 465 CG1 VAL A 29 2.172 -5.767 3.778 1.00 0.00 C ATOM 466 CG2 VAL A 29 0.827 -5.671 5.887 1.00 0.00 C ATOM 0 H VAL A 29 -0.635 -4.860 3.886 1.00 0.00 H new ATOM 0 HA VAL A 29 0.203 -7.514 3.029 1.00 0.00 H new ATOM 0 HB VAL A 29 1.653 -7.429 5.011 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.059 -5.511 4.357 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.457 -6.404 2.940 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.709 -4.855 3.400 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.736 -5.419 6.433 1.00 0.00 H new ATOM 0 HG22 VAL A 29 0.329 -4.755 5.568 1.00 0.00 H new ATOM 0 HG23 VAL A 29 0.160 -6.239 6.536 1.00 0.00 H new ATOM 476 N ARG A 30 -2.160 -8.094 4.210 1.00 0.00 N ATOM 477 CA ARG A 30 -3.154 -8.841 4.971 1.00 0.00 C ATOM 478 C ARG A 30 -3.743 -9.980 4.144 1.00 0.00 C ATOM 479 O ARG A 30 -4.220 -9.772 3.029 1.00 0.00 O ATOM 480 CB ARG A 30 -4.270 -7.908 5.441 1.00 0.00 C ATOM 481 CG ARG A 30 -3.766 -6.599 6.025 1.00 0.00 C ATOM 482 CD ARG A 30 -3.251 -6.784 7.443 1.00 0.00 C ATOM 483 NE ARG A 30 -3.565 -5.640 8.296 1.00 0.00 N ATOM 484 CZ ARG A 30 -3.380 -5.625 9.614 1.00 0.00 C ATOM 485 NH1 ARG A 30 -2.880 -6.688 10.231 1.00 0.00 N ATOM 486 NH2 ARG A 30 -3.693 -4.545 10.316 1.00 0.00 N ATOM 0 H ARG A 30 -2.403 -7.942 3.231 1.00 0.00 H new ATOM 0 HA ARG A 30 -2.656 -9.273 5.839 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -4.928 -7.691 4.600 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -4.870 -8.423 6.191 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -2.969 -6.202 5.396 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -4.571 -5.864 6.022 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -3.688 -7.686 7.872 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -2.171 -6.933 7.420 1.00 0.00 H new ATOM 0 HE ARG A 30 -3.949 -4.804 7.856 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -2.636 -7.521 9.695 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -2.740 -6.672 11.241 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -4.076 -3.725 9.846 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -3.551 -4.534 11.326 1.00 0.00 H new ATOM 500 N ASP A 31 -3.713 -11.183 4.708 1.00 0.00 N ATOM 501 CA ASP A 31 -4.251 -12.360 4.040 1.00 0.00 C ATOM 502 C ASP A 31 -5.488 -12.860 4.771 1.00 0.00 C ATOM 503 O ASP A 31 -6.475 -13.255 4.148 1.00 0.00 O ATOM 504 CB ASP A 31 -3.197 -13.465 3.981 1.00 0.00 C ATOM 505 CG ASP A 31 -2.785 -13.796 2.560 1.00 0.00 C ATOM 506 OD1 ASP A 31 -2.813 -12.886 1.706 1.00 0.00 O ATOM 507 OD2 ASP A 31 -2.437 -14.968 2.301 1.00 0.00 O ATOM 0 H ASP A 31 -3.319 -11.368 5.631 1.00 0.00 H new ATOM 0 HA ASP A 31 -4.529 -12.085 3.023 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -2.319 -13.156 4.548 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -3.588 -14.362 4.461 1.00 0.00 H new ATOM 512 N GLU A 32 -5.434 -12.825 6.100 1.00 0.00 N ATOM 513 CA GLU A 32 -6.557 -13.260 6.922 1.00 0.00 C ATOM 514 C GLU A 32 -7.833 -12.539 6.498 1.00 0.00 C ATOM 515 O GLU A 32 -8.939 -13.045 6.688 1.00 0.00 O ATOM 516 CB GLU A 32 -6.270 -12.992 8.402 1.00 0.00 C ATOM 517 CG GLU A 32 -6.622 -14.159 9.310 1.00 0.00 C ATOM 518 CD GLU A 32 -7.228 -13.710 10.626 1.00 0.00 C ATOM 519 OE1 GLU A 32 -6.881 -12.605 11.093 1.00 0.00 O ATOM 520 OE2 GLU A 32 -8.049 -14.465 11.189 1.00 0.00 O ATOM 0 H GLU A 32 -4.625 -12.500 6.629 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.694 -14.332 6.780 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.213 -12.755 8.522 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -6.831 -12.113 8.719 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.324 -14.816 8.796 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.724 -14.744 9.508 1.00 0.00 H new ATOM 527 N GLU A 33 -7.664 -11.358 5.909 1.00 0.00 N ATOM 528 CA GLU A 33 -8.797 -10.569 5.440 1.00 0.00 C ATOM 529 C GLU A 33 -9.511 -11.282 4.296 1.00 0.00 C ATOM 530 O GLU A 33 -10.649 -10.952 3.959 1.00 0.00 O ATOM 531 CB GLU A 33 -8.328 -9.185 4.984 1.00 0.00 C ATOM 532 CG GLU A 33 -9.437 -8.146 4.952 1.00 0.00 C ATOM 533 CD GLU A 33 -10.079 -8.020 3.584 1.00 0.00 C ATOM 534 OE1 GLU A 33 -9.485 -7.355 2.710 1.00 0.00 O ATOM 535 OE2 GLU A 33 -11.175 -8.586 3.388 1.00 0.00 O ATOM 0 H GLU A 33 -6.754 -10.928 5.746 1.00 0.00 H new ATOM 0 HA GLU A 33 -9.497 -10.450 6.267 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -7.538 -8.840 5.651 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -7.891 -9.268 3.989 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -10.200 -8.411 5.684 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -9.032 -7.179 5.250 1.00 0.00 H new ATOM 542 N ARG A 34 -8.837 -12.267 3.703 1.00 0.00 N ATOM 543 CA ARG A 34 -9.410 -13.029 2.601 1.00 0.00 C ATOM 544 C ARG A 34 -10.539 -13.932 3.091 1.00 0.00 C ATOM 545 O ARG A 34 -11.307 -14.467 2.291 1.00 0.00 O ATOM 546 CB ARG A 34 -8.329 -13.871 1.921 1.00 0.00 C ATOM 547 CG ARG A 34 -8.681 -14.284 0.501 1.00 0.00 C ATOM 548 CD ARG A 34 -8.346 -15.745 0.243 1.00 0.00 C ATOM 549 NE ARG A 34 -6.968 -16.065 0.611 1.00 0.00 N ATOM 550 CZ ARG A 34 -6.528 -17.301 0.837 1.00 0.00 C ATOM 551 NH1 ARG A 34 -7.354 -18.336 0.732 1.00 0.00 N ATOM 552 NH2 ARG A 34 -5.261 -17.504 1.168 1.00 0.00 N ATOM 0 H ARG A 34 -7.895 -12.554 3.969 1.00 0.00 H new ATOM 0 HA ARG A 34 -9.821 -12.323 1.879 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -7.397 -13.306 1.905 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -8.149 -14.766 2.517 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -9.744 -14.118 0.326 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -8.139 -13.656 -0.206 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -9.029 -16.379 0.809 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -8.501 -15.972 -0.812 1.00 0.00 H new ATOM 0 HE ARG A 34 -6.304 -15.296 0.700 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -8.330 -18.186 0.477 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -7.012 -19.281 0.906 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -4.622 -16.713 1.250 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -4.925 -18.451 1.341 1.00 0.00 H new ATOM 566 N ASN A 35 -10.640 -14.097 4.409 1.00 0.00 N ATOM 567 CA ASN A 35 -11.681 -14.932 4.988 1.00 0.00 C ATOM 568 C ASN A 35 -13.051 -14.323 4.724 1.00 0.00 C ATOM 569 O ASN A 35 -13.931 -14.967 4.152 1.00 0.00 O ATOM 570 CB ASN A 35 -11.457 -15.101 6.491 1.00 0.00 C ATOM 571 CG ASN A 35 -10.574 -16.292 6.813 1.00 0.00 C ATOM 572 OD1 ASN A 35 -9.521 -16.479 6.025 1.00 0.00 O flip ATOM 573 ND2 ASN A 35 -10.836 -17.035 7.759 1.00 0.00 N flip ATOM 0 H ASN A 35 -10.015 -13.664 5.090 1.00 0.00 H new ATOM 0 HA ASN A 35 -11.638 -15.915 4.519 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -11.002 -14.195 6.892 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -12.420 -15.221 6.988 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -11.656 -16.853 8.338 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -10.233 -17.832 7.964 1.00 0.00 H new ATOM 580 N TYR A 36 -13.216 -13.069 5.126 1.00 0.00 N ATOM 581 CA TYR A 36 -14.469 -12.356 4.916 1.00 0.00 C ATOM 582 C TYR A 36 -14.584 -11.949 3.453 1.00 0.00 C ATOM 583 O TYR A 36 -15.588 -12.223 2.794 1.00 0.00 O ATOM 584 CB TYR A 36 -14.541 -11.118 5.816 1.00 0.00 C ATOM 585 CG TYR A 36 -13.839 -11.288 7.145 1.00 0.00 C ATOM 586 CD1 TYR A 36 -14.374 -12.101 8.136 1.00 0.00 C ATOM 587 CD2 TYR A 36 -12.641 -10.637 7.405 1.00 0.00 C ATOM 588 CE1 TYR A 36 -13.732 -12.260 9.350 1.00 0.00 C ATOM 589 CE2 TYR A 36 -11.993 -10.791 8.616 1.00 0.00 C ATOM 590 CZ TYR A 36 -12.544 -11.603 9.584 1.00 0.00 C ATOM 591 OH TYR A 36 -11.902 -11.760 10.791 1.00 0.00 O ATOM 0 H TYR A 36 -12.496 -12.524 5.600 1.00 0.00 H new ATOM 0 HA TYR A 36 -15.298 -13.015 5.174 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -14.101 -10.271 5.289 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -15.587 -10.872 5.997 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -15.306 -12.617 7.955 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -12.208 -9.999 6.648 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -14.160 -12.896 10.111 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -11.061 -10.278 8.803 1.00 0.00 H new ATOM 0 HH TYR A 36 -11.078 -11.230 10.794 1.00 0.00 H new ATOM 601 N ASP A 37 -13.529 -11.295 2.962 1.00 0.00 N ATOM 602 CA ASP A 37 -13.443 -10.834 1.576 1.00 0.00 C ATOM 603 C ASP A 37 -13.911 -9.392 1.452 1.00 0.00 C ATOM 604 O ASP A 37 -13.306 -8.600 0.730 1.00 0.00 O ATOM 605 CB ASP A 37 -14.251 -11.735 0.634 1.00 0.00 C ATOM 606 CG ASP A 37 -13.742 -11.685 -0.794 1.00 0.00 C ATOM 607 OD1 ASP A 37 -14.148 -10.767 -1.538 1.00 0.00 O ATOM 608 OD2 ASP A 37 -12.938 -12.564 -1.169 1.00 0.00 O ATOM 0 H ASP A 37 -12.705 -11.069 3.519 1.00 0.00 H new ATOM 0 HA ASP A 37 -12.395 -10.887 1.281 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -14.210 -12.763 0.995 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -15.298 -11.431 0.654 1.00 0.00 H new ATOM 613 N GLY A 38 -14.986 -9.061 2.169 1.00 0.00 N ATOM 614 CA GLY A 38 -15.539 -7.705 2.137 1.00 0.00 C ATOM 615 C GLY A 38 -15.375 -7.040 0.780 1.00 0.00 C ATOM 616 O GLY A 38 -15.237 -7.726 -0.231 1.00 0.00 O ATOM 0 H GLY A 38 -15.489 -9.709 2.776 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -16.598 -7.742 2.394 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -15.047 -7.098 2.897 1.00 0.00 H new ATOM 620 N HIS A 39 -15.380 -5.710 0.747 1.00 0.00 N ATOM 621 CA HIS A 39 -15.211 -4.990 -0.497 1.00 0.00 C ATOM 622 C HIS A 39 -15.089 -3.502 -0.196 1.00 0.00 C ATOM 623 O HIS A 39 -16.083 -2.819 -0.030 1.00 0.00 O ATOM 624 CB HIS A 39 -16.391 -5.265 -1.451 1.00 0.00 C ATOM 625 CG HIS A 39 -16.048 -6.119 -2.633 1.00 0.00 C ATOM 626 ND1 HIS A 39 -16.829 -6.111 -3.764 1.00 0.00 N ATOM 627 CD2 HIS A 39 -15.018 -6.982 -2.813 1.00 0.00 C ATOM 628 CE1 HIS A 39 -16.262 -6.959 -4.602 1.00 0.00 C ATOM 629 NE2 HIS A 39 -15.161 -7.511 -4.070 1.00 0.00 N ATOM 0 H HIS A 39 -15.499 -5.117 1.568 1.00 0.00 H new ATOM 0 HA HIS A 39 -14.303 -5.331 -0.994 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -17.191 -5.748 -0.890 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -16.783 -4.313 -1.808 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -14.236 -7.209 -2.104 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -16.637 -7.180 -5.590 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -14.548 -8.194 -4.515 1.00 0.00 H new ATOM 637 N ILE A 40 -13.863 -3.010 -0.085 1.00 0.00 N ATOM 638 CA ILE A 40 -13.637 -1.603 0.220 1.00 0.00 C ATOM 639 C ILE A 40 -12.967 -0.834 -0.937 1.00 0.00 C ATOM 640 O ILE A 40 -13.588 0.006 -1.568 1.00 0.00 O ATOM 641 CB ILE A 40 -12.780 -1.432 1.498 1.00 0.00 C ATOM 642 CG1 ILE A 40 -11.870 -2.646 1.721 1.00 0.00 C ATOM 643 CG2 ILE A 40 -13.676 -1.218 2.709 1.00 0.00 C ATOM 644 CD1 ILE A 40 -10.972 -2.513 2.930 1.00 0.00 C ATOM 0 H ILE A 40 -13.012 -3.561 -0.201 1.00 0.00 H new ATOM 0 HA ILE A 40 -14.628 -1.179 0.379 1.00 0.00 H new ATOM 0 HB ILE A 40 -12.147 -0.554 1.364 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -12.488 -3.537 1.833 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -11.253 -2.795 0.835 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -13.060 -1.099 3.601 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -14.278 -0.322 2.562 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -14.332 -2.080 2.833 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -10.357 -3.407 3.026 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -10.329 -1.641 2.811 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -11.582 -2.394 3.825 1.00 0.00 H new ATOM 656 N ALA A 41 -11.690 -1.109 -1.164 1.00 0.00 N ATOM 657 CA ALA A 41 -10.879 -0.438 -2.191 1.00 0.00 C ATOM 658 C ALA A 41 -9.903 -1.400 -2.903 1.00 0.00 C ATOM 659 O ALA A 41 -9.419 -2.353 -2.308 1.00 0.00 O ATOM 660 CB ALA A 41 -10.118 0.729 -1.582 1.00 0.00 C ATOM 0 H ALA A 41 -11.174 -1.813 -0.637 1.00 0.00 H new ATOM 0 HA ALA A 41 -11.569 -0.068 -2.949 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -9.522 1.217 -2.353 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -10.825 1.445 -1.163 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -9.461 0.363 -0.793 1.00 0.00 H new ATOM 666 N GLY A 42 -9.653 -1.164 -4.197 1.00 0.00 N ATOM 667 CA GLY A 42 -8.750 -2.012 -4.981 1.00 0.00 C ATOM 668 C GLY A 42 -7.573 -2.565 -4.183 1.00 0.00 C ATOM 669 O GLY A 42 -7.723 -3.536 -3.441 1.00 0.00 O ATOM 0 H GLY A 42 -10.064 -0.392 -4.722 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -9.318 -2.845 -5.396 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.367 -1.436 -5.823 1.00 0.00 H new ATOM 673 N SER A 43 -6.395 -1.953 -4.338 1.00 0.00 N ATOM 674 CA SER A 43 -5.199 -2.402 -3.627 1.00 0.00 C ATOM 675 C SER A 43 -4.969 -3.902 -3.813 1.00 0.00 C ATOM 676 O SER A 43 -5.758 -4.588 -4.462 1.00 0.00 O ATOM 677 CB SER A 43 -5.316 -2.077 -2.137 1.00 0.00 C ATOM 678 OG SER A 43 -6.235 -2.943 -1.495 1.00 0.00 O ATOM 0 H SER A 43 -6.246 -1.149 -4.947 1.00 0.00 H new ATOM 0 HA SER A 43 -4.344 -1.872 -4.048 1.00 0.00 H new ATOM 0 HB2 SER A 43 -4.338 -2.166 -1.665 1.00 0.00 H new ATOM 0 HB3 SER A 43 -5.638 -1.043 -2.012 1.00 0.00 H new ATOM 0 HG SER A 43 -6.783 -3.397 -2.169 1.00 0.00 H new ATOM 684 N LEU A 44 -3.881 -4.402 -3.234 1.00 0.00 N ATOM 685 CA LEU A 44 -3.542 -5.815 -3.327 1.00 0.00 C ATOM 686 C LEU A 44 -3.310 -6.404 -1.939 1.00 0.00 C ATOM 687 O LEU A 44 -2.418 -5.969 -1.213 1.00 0.00 O ATOM 688 CB LEU A 44 -2.296 -6.008 -4.192 1.00 0.00 C ATOM 689 CG LEU A 44 -1.828 -7.459 -4.342 1.00 0.00 C ATOM 690 CD1 LEU A 44 -2.180 -7.996 -5.720 1.00 0.00 C ATOM 691 CD2 LEU A 44 -0.330 -7.564 -4.094 1.00 0.00 C ATOM 0 H LEU A 44 -3.218 -3.846 -2.694 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.378 -6.337 -3.792 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.495 -5.602 -5.184 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.482 -5.422 -3.765 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.344 -8.065 -3.597 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.839 -9.028 -5.806 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.260 -7.958 -5.860 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.693 -7.388 -6.483 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.015 -8.602 -4.205 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.203 -6.944 -4.815 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.104 -7.222 -3.084 1.00 0.00 H new ATOM 703 N HIS A 45 -4.120 -7.390 -1.572 1.00 0.00 N ATOM 704 CA HIS A 45 -4.004 -8.027 -0.264 1.00 0.00 C ATOM 705 C HIS A 45 -3.137 -9.281 -0.332 1.00 0.00 C ATOM 706 O HIS A 45 -3.324 -10.132 -1.201 1.00 0.00 O ATOM 707 CB HIS A 45 -5.390 -8.385 0.275 1.00 0.00 C ATOM 708 CG HIS A 45 -6.264 -9.072 -0.728 1.00 0.00 C ATOM 709 ND1 HIS A 45 -6.999 -8.392 -1.678 1.00 0.00 N ATOM 710 CD2 HIS A 45 -6.520 -10.386 -0.930 1.00 0.00 C ATOM 711 CE1 HIS A 45 -7.669 -9.257 -2.417 1.00 0.00 C ATOM 712 NE2 HIS A 45 -7.395 -10.474 -1.984 1.00 0.00 N ATOM 0 H HIS A 45 -4.864 -7.766 -2.160 1.00 0.00 H new ATOM 0 HA HIS A 45 -3.525 -7.317 0.411 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -5.276 -9.029 1.147 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -5.885 -7.475 0.613 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -6.112 -11.212 -0.366 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -8.329 -9.011 -3.236 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -7.772 -11.339 -2.370 1.00 0.00 H new ATOM 721 N TYR A 46 -2.191 -9.390 0.598 1.00 0.00 N ATOM 722 CA TYR A 46 -1.300 -10.543 0.652 1.00 0.00 C ATOM 723 C TYR A 46 -0.831 -10.792 2.087 1.00 0.00 C ATOM 724 O TYR A 46 -0.807 -9.877 2.911 1.00 0.00 O ATOM 725 CB TYR A 46 -0.109 -10.340 -0.299 1.00 0.00 C ATOM 726 CG TYR A 46 1.204 -10.019 0.388 1.00 0.00 C ATOM 727 CD1 TYR A 46 1.390 -8.810 1.044 1.00 0.00 C ATOM 728 CD2 TYR A 46 2.254 -10.927 0.375 1.00 0.00 C ATOM 729 CE1 TYR A 46 2.586 -8.516 1.670 1.00 0.00 C ATOM 730 CE2 TYR A 46 3.453 -10.641 0.999 1.00 0.00 C ATOM 731 CZ TYR A 46 3.614 -9.434 1.645 1.00 0.00 C ATOM 732 OH TYR A 46 4.807 -9.145 2.267 1.00 0.00 O ATOM 0 H TYR A 46 -2.023 -8.693 1.324 1.00 0.00 H new ATOM 0 HA TYR A 46 -1.847 -11.427 0.324 1.00 0.00 H new ATOM 0 HB2 TYR A 46 0.020 -11.243 -0.895 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -0.348 -9.533 -0.991 1.00 0.00 H new ATOM 0 HD1 TYR A 46 0.587 -8.088 1.065 1.00 0.00 H new ATOM 0 HD2 TYR A 46 2.132 -11.873 -0.131 1.00 0.00 H new ATOM 0 HE1 TYR A 46 2.715 -7.571 2.177 1.00 0.00 H new ATOM 0 HE2 TYR A 46 4.260 -11.359 0.981 1.00 0.00 H new ATOM 0 HH TYR A 46 5.424 -9.898 2.156 1.00 0.00 H new ATOM 742 N ALA A 47 -0.469 -12.038 2.380 1.00 0.00 N ATOM 743 CA ALA A 47 -0.013 -12.415 3.713 1.00 0.00 C ATOM 744 C ALA A 47 1.373 -11.859 4.012 1.00 0.00 C ATOM 745 O ALA A 47 1.962 -11.147 3.200 1.00 0.00 O ATOM 746 CB ALA A 47 -0.004 -13.931 3.857 1.00 0.00 C ATOM 0 H ALA A 47 -0.483 -12.806 1.709 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.710 -11.985 4.433 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.338 -14.200 4.856 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.012 -14.317 3.703 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.668 -14.363 3.115 1.00 0.00 H new ATOM 752 N SER A 48 1.889 -12.206 5.185 1.00 0.00 N ATOM 753 CA SER A 48 3.211 -11.764 5.608 1.00 0.00 C ATOM 754 C SER A 48 3.824 -12.756 6.587 1.00 0.00 C ATOM 755 O SER A 48 4.715 -12.412 7.363 1.00 0.00 O ATOM 756 CB SER A 48 3.137 -10.373 6.241 1.00 0.00 C ATOM 757 OG SER A 48 2.376 -10.395 7.436 1.00 0.00 O ATOM 0 H SER A 48 1.408 -12.796 5.864 1.00 0.00 H new ATOM 0 HA SER A 48 3.848 -11.711 4.725 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.144 -10.013 6.454 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.691 -9.672 5.535 1.00 0.00 H new ATOM 0 HG SER A 48 1.707 -9.679 7.411 1.00 0.00 H new ATOM 763 N GLY A 49 3.357 -13.996 6.522 1.00 0.00 N ATOM 764 CA GLY A 49 3.887 -15.032 7.384 1.00 0.00 C ATOM 765 C GLY A 49 5.233 -15.507 6.887 1.00 0.00 C ATOM 766 O GLY A 49 6.075 -15.960 7.662 1.00 0.00 O ATOM 0 H GLY A 49 2.620 -14.302 5.887 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.983 -14.651 8.401 1.00 0.00 H new ATOM 0 HA3 GLY A 49 3.192 -15.871 7.422 1.00 0.00 H new ATOM 770 N SER A 50 5.432 -15.381 5.578 1.00 0.00 N ATOM 771 CA SER A 50 6.678 -15.772 4.947 1.00 0.00 C ATOM 772 C SER A 50 7.674 -14.623 4.998 1.00 0.00 C ATOM 773 O SER A 50 8.826 -14.807 5.391 1.00 0.00 O ATOM 774 CB SER A 50 6.430 -16.189 3.495 1.00 0.00 C ATOM 775 OG SER A 50 6.983 -17.466 3.228 1.00 0.00 O ATOM 0 H SER A 50 4.736 -15.007 4.933 1.00 0.00 H new ATOM 0 HA SER A 50 7.092 -16.622 5.489 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.358 -16.205 3.296 1.00 0.00 H new ATOM 0 HB3 SER A 50 6.868 -15.452 2.822 1.00 0.00 H new ATOM 0 HG SER A 50 6.452 -17.915 2.537 1.00 0.00 H new ATOM 781 N PHE A 51 7.227 -13.436 4.572 1.00 0.00 N ATOM 782 CA PHE A 51 8.075 -12.249 4.544 1.00 0.00 C ATOM 783 C PHE A 51 9.399 -12.554 3.873 1.00 0.00 C ATOM 784 O PHE A 51 10.388 -11.845 4.044 1.00 0.00 O ATOM 785 CB PHE A 51 8.300 -11.709 5.949 1.00 0.00 C ATOM 786 CG PHE A 51 9.031 -12.652 6.863 1.00 0.00 C ATOM 787 CD1 PHE A 51 10.415 -12.708 6.860 1.00 0.00 C ATOM 788 CD2 PHE A 51 8.330 -13.481 7.725 1.00 0.00 C ATOM 789 CE1 PHE A 51 11.089 -13.573 7.701 1.00 0.00 C ATOM 790 CE2 PHE A 51 8.998 -14.349 8.568 1.00 0.00 C ATOM 791 CZ PHE A 51 10.380 -14.395 8.556 1.00 0.00 C ATOM 0 H PHE A 51 6.276 -13.276 4.241 1.00 0.00 H new ATOM 0 HA PHE A 51 7.563 -11.482 3.963 1.00 0.00 H new ATOM 0 HB2 PHE A 51 8.862 -10.777 5.882 1.00 0.00 H new ATOM 0 HB3 PHE A 51 7.334 -11.467 6.392 1.00 0.00 H new ATOM 0 HD1 PHE A 51 10.974 -12.068 6.193 1.00 0.00 H new ATOM 0 HD2 PHE A 51 7.251 -13.448 7.738 1.00 0.00 H new ATOM 0 HE1 PHE A 51 12.168 -13.606 7.690 1.00 0.00 H new ATOM 0 HE2 PHE A 51 8.441 -14.990 9.235 1.00 0.00 H new ATOM 0 HZ PHE A 51 10.904 -15.072 9.214 1.00 0.00 H new ATOM 801 N ASP A 52 9.388 -13.615 3.096 1.00 0.00 N ATOM 802 CA ASP A 52 10.555 -14.045 2.361 1.00 0.00 C ATOM 803 C ASP A 52 10.145 -14.822 1.113 1.00 0.00 C ATOM 804 O ASP A 52 10.956 -15.524 0.510 1.00 0.00 O ATOM 805 CB ASP A 52 11.466 -14.900 3.247 1.00 0.00 C ATOM 806 CG ASP A 52 12.705 -14.151 3.696 1.00 0.00 C ATOM 807 OD1 ASP A 52 12.625 -12.914 3.855 1.00 0.00 O ATOM 808 OD2 ASP A 52 13.753 -14.800 3.891 1.00 0.00 O ATOM 0 H ASP A 52 8.567 -14.204 2.957 1.00 0.00 H new ATOM 0 HA ASP A 52 11.109 -13.159 2.051 1.00 0.00 H new ATOM 0 HB2 ASP A 52 10.909 -15.232 4.123 1.00 0.00 H new ATOM 0 HB3 ASP A 52 11.764 -15.795 2.700 1.00 0.00 H new ATOM 813 N ASP A 53 8.874 -14.692 0.733 1.00 0.00 N ATOM 814 CA ASP A 53 8.348 -15.377 -0.435 1.00 0.00 C ATOM 815 C ASP A 53 7.903 -14.382 -1.507 1.00 0.00 C ATOM 816 O ASP A 53 7.718 -14.757 -2.665 1.00 0.00 O ATOM 817 CB ASP A 53 7.176 -16.276 -0.032 1.00 0.00 C ATOM 818 CG ASP A 53 7.267 -17.656 -0.652 1.00 0.00 C ATOM 819 OD1 ASP A 53 7.650 -17.750 -1.837 1.00 0.00 O ATOM 820 OD2 ASP A 53 6.955 -18.643 0.048 1.00 0.00 O ATOM 0 H ASP A 53 8.191 -14.114 1.223 1.00 0.00 H new ATOM 0 HA ASP A 53 9.145 -15.991 -0.855 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.150 -16.369 1.054 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.240 -15.806 -0.334 1.00 0.00 H new ATOM 825 N LYS A 54 7.738 -13.113 -1.129 1.00 0.00 N ATOM 826 CA LYS A 54 7.322 -12.089 -2.089 1.00 0.00 C ATOM 827 C LYS A 54 8.396 -11.012 -2.242 1.00 0.00 C ATOM 828 O LYS A 54 8.179 -9.983 -2.880 1.00 0.00 O ATOM 829 CB LYS A 54 5.998 -11.457 -1.654 1.00 0.00 C ATOM 830 CG LYS A 54 4.966 -12.470 -1.180 1.00 0.00 C ATOM 831 CD LYS A 54 4.737 -13.565 -2.212 1.00 0.00 C ATOM 832 CE LYS A 54 3.783 -13.109 -3.305 1.00 0.00 C ATOM 833 NZ LYS A 54 4.507 -12.726 -4.549 1.00 0.00 N ATOM 0 H LYS A 54 7.884 -12.773 -0.178 1.00 0.00 H new ATOM 0 HA LYS A 54 7.182 -12.571 -3.057 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.191 -10.745 -0.852 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.583 -10.892 -2.489 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.298 -12.917 -0.243 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.024 -11.961 -0.974 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.690 -13.853 -2.656 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.333 -14.451 -1.721 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.077 -13.909 -3.528 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.201 -12.260 -2.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.963 -12.001 -5.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.443 -12.347 -4.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.621 -13.563 -5.156 1.00 0.00 H new ATOM 847 N ILE A 55 9.552 -11.268 -1.637 1.00 0.00 N ATOM 848 CA ILE A 55 10.672 -10.340 -1.682 1.00 0.00 C ATOM 849 C ILE A 55 11.411 -10.470 -3.016 1.00 0.00 C ATOM 850 O ILE A 55 11.778 -9.484 -3.652 1.00 0.00 O ATOM 851 CB ILE A 55 11.652 -10.593 -0.510 1.00 0.00 C ATOM 852 CG1 ILE A 55 10.908 -11.108 0.725 1.00 0.00 C ATOM 853 CG2 ILE A 55 12.402 -9.324 -0.152 1.00 0.00 C ATOM 854 CD1 ILE A 55 9.806 -10.181 1.191 1.00 0.00 C ATOM 0 H ILE A 55 9.736 -12.119 -1.106 1.00 0.00 H new ATOM 0 HA ILE A 55 10.277 -9.329 -1.586 1.00 0.00 H new ATOM 0 HB ILE A 55 12.365 -11.350 -0.836 1.00 0.00 H new ATOM 0 HG12 ILE A 55 10.481 -12.085 0.501 1.00 0.00 H new ATOM 0 HG13 ILE A 55 11.621 -11.250 1.537 1.00 0.00 H new ATOM 0 HG21 ILE A 55 13.085 -9.525 0.674 1.00 0.00 H new ATOM 0 HG22 ILE A 55 12.970 -8.981 -1.017 1.00 0.00 H new ATOM 0 HG23 ILE A 55 11.691 -8.553 0.145 1.00 0.00 H new ATOM 0 HD11 ILE A 55 9.320 -10.606 2.069 1.00 0.00 H new ATOM 0 HD12 ILE A 55 10.231 -9.210 1.446 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.072 -10.058 0.394 1.00 0.00 H new ATOM 866 N SER A 56 11.595 -11.709 -3.435 1.00 0.00 N ATOM 867 CA SER A 56 12.257 -12.003 -4.698 1.00 0.00 C ATOM 868 C SER A 56 11.270 -11.881 -5.844 1.00 0.00 C ATOM 869 O SER A 56 11.639 -11.885 -7.019 1.00 0.00 O ATOM 870 CB SER A 56 12.883 -13.400 -4.675 1.00 0.00 C ATOM 871 OG SER A 56 13.146 -13.821 -3.347 1.00 0.00 O ATOM 0 H SER A 56 11.294 -12.534 -2.917 1.00 0.00 H new ATOM 0 HA SER A 56 13.058 -11.278 -4.844 1.00 0.00 H new ATOM 0 HB2 SER A 56 12.212 -14.110 -5.159 1.00 0.00 H new ATOM 0 HB3 SER A 56 13.810 -13.396 -5.249 1.00 0.00 H new ATOM 0 HG SER A 56 13.544 -14.717 -3.360 1.00 0.00 H new ATOM 877 N HIS A 57 10.015 -11.743 -5.471 1.00 0.00 N ATOM 878 CA HIS A 57 8.927 -11.582 -6.410 1.00 0.00 C ATOM 879 C HIS A 57 8.966 -10.183 -6.994 1.00 0.00 C ATOM 880 O HIS A 57 8.949 -9.996 -8.210 1.00 0.00 O ATOM 881 CB HIS A 57 7.607 -11.811 -5.690 1.00 0.00 C ATOM 882 CG HIS A 57 6.704 -12.786 -6.380 1.00 0.00 C ATOM 883 ND1 HIS A 57 5.655 -12.586 -7.215 1.00 0.00 N flip ATOM 884 CD2 HIS A 57 6.830 -14.154 -6.249 1.00 0.00 C flip ATOM 885 CE1 HIS A 57 5.175 -13.823 -7.567 1.00 0.00 C flip ATOM 886 NE2 HIS A 57 5.900 -14.751 -6.973 1.00 0.00 N flip ATOM 0 H HIS A 57 9.719 -11.740 -4.495 1.00 0.00 H new ATOM 0 HA HIS A 57 9.025 -12.306 -7.219 1.00 0.00 H new ATOM 0 HB2 HIS A 57 7.811 -12.170 -4.681 1.00 0.00 H new ATOM 0 HB3 HIS A 57 7.088 -10.858 -5.590 1.00 0.00 H new ATOM 0 HD2 HIS A 57 7.573 -14.658 -5.648 1.00 0.00 H new ATOM 0 HE1 HIS A 57 4.338 -14.007 -8.225 1.00 0.00 H new ATOM 0 HE2 HIS A 57 5.766 -15.759 -7.058 1.00 0.00 H new ATOM 895 N LEU A 58 9.041 -9.202 -6.100 1.00 0.00 N ATOM 896 CA LEU A 58 9.110 -7.814 -6.519 1.00 0.00 C ATOM 897 C LEU A 58 10.484 -7.530 -7.103 1.00 0.00 C ATOM 898 O LEU A 58 10.659 -6.599 -7.888 1.00 0.00 O ATOM 899 CB LEU A 58 8.822 -6.872 -5.347 1.00 0.00 C ATOM 900 CG LEU A 58 8.015 -5.624 -5.715 1.00 0.00 C ATOM 901 CD1 LEU A 58 6.691 -5.598 -4.965 1.00 0.00 C ATOM 902 CD2 LEU A 58 8.816 -4.361 -5.429 1.00 0.00 C ATOM 0 H LEU A 58 9.055 -9.344 -5.090 1.00 0.00 H new ATOM 0 HA LEU A 58 8.350 -7.639 -7.281 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.281 -7.424 -4.578 1.00 0.00 H new ATOM 0 HB3 LEU A 58 9.769 -6.559 -4.908 1.00 0.00 H new ATOM 0 HG LEU A 58 7.803 -5.660 -6.783 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.134 -4.703 -5.241 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.109 -6.482 -5.224 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.881 -5.590 -3.892 1.00 0.00 H new ATOM 0 HD21 LEU A 58 8.224 -3.486 -5.698 1.00 0.00 H new ATOM 0 HD22 LEU A 58 9.064 -4.320 -4.368 1.00 0.00 H new ATOM 0 HD23 LEU A 58 9.734 -4.372 -6.016 1.00 0.00 H new ATOM 914 N VAL A 59 11.457 -8.354 -6.723 1.00 0.00 N ATOM 915 CA VAL A 59 12.811 -8.205 -7.217 1.00 0.00 C ATOM 916 C VAL A 59 12.865 -8.615 -8.685 1.00 0.00 C ATOM 917 O VAL A 59 13.574 -8.011 -9.490 1.00 0.00 O ATOM 918 CB VAL A 59 13.799 -9.044 -6.372 1.00 0.00 C ATOM 919 CG1 VAL A 59 14.555 -10.056 -7.222 1.00 0.00 C ATOM 920 CG2 VAL A 59 14.763 -8.136 -5.627 1.00 0.00 C ATOM 0 H VAL A 59 11.327 -9.130 -6.074 1.00 0.00 H new ATOM 0 HA VAL A 59 13.109 -7.160 -7.131 1.00 0.00 H new ATOM 0 HB VAL A 59 13.215 -9.607 -5.644 1.00 0.00 H new ATOM 0 HG11 VAL A 59 15.238 -10.624 -6.590 1.00 0.00 H new ATOM 0 HG12 VAL A 59 13.846 -10.737 -7.694 1.00 0.00 H new ATOM 0 HG13 VAL A 59 15.123 -9.533 -7.991 1.00 0.00 H new ATOM 0 HG21 VAL A 59 15.451 -8.742 -5.037 1.00 0.00 H new ATOM 0 HG22 VAL A 59 15.327 -7.539 -6.343 1.00 0.00 H new ATOM 0 HG23 VAL A 59 14.203 -7.475 -4.965 1.00 0.00 H new ATOM 930 N GLN A 60 12.092 -9.643 -9.018 1.00 0.00 N ATOM 931 CA GLN A 60 12.021 -10.145 -10.381 1.00 0.00 C ATOM 932 C GLN A 60 11.123 -9.256 -11.239 1.00 0.00 C ATOM 933 O GLN A 60 11.186 -9.299 -12.468 1.00 0.00 O ATOM 934 CB GLN A 60 11.500 -11.585 -10.388 1.00 0.00 C ATOM 935 CG GLN A 60 12.569 -12.620 -10.697 1.00 0.00 C ATOM 936 CD GLN A 60 13.346 -12.299 -11.959 1.00 0.00 C ATOM 937 OE1 GLN A 60 12.882 -12.555 -13.069 1.00 0.00 O ATOM 938 NE2 GLN A 60 14.536 -11.734 -11.792 1.00 0.00 N ATOM 0 H GLN A 60 11.502 -10.147 -8.355 1.00 0.00 H new ATOM 0 HA GLN A 60 13.025 -10.130 -10.805 1.00 0.00 H new ATOM 0 HB2 GLN A 60 11.061 -11.808 -9.415 1.00 0.00 H new ATOM 0 HB3 GLN A 60 10.701 -11.669 -11.125 1.00 0.00 H new ATOM 0 HG2 GLN A 60 13.260 -12.685 -9.856 1.00 0.00 H new ATOM 0 HG3 GLN A 60 12.102 -13.599 -10.802 1.00 0.00 H new ATOM 0 HE21 GLN A 60 14.881 -11.540 -10.852 1.00 0.00 H new ATOM 0 HE22 GLN A 60 15.105 -11.494 -12.604 1.00 0.00 H new ATOM 947 N ASN A 61 10.290 -8.449 -10.585 1.00 0.00 N ATOM 948 CA ASN A 61 9.386 -7.551 -11.289 1.00 0.00 C ATOM 949 C ASN A 61 9.211 -6.252 -10.510 1.00 0.00 C ATOM 950 O ASN A 61 8.094 -5.858 -10.176 1.00 0.00 O ATOM 951 CB ASN A 61 8.030 -8.225 -11.504 1.00 0.00 C ATOM 952 CG ASN A 61 8.077 -9.291 -12.582 1.00 0.00 C ATOM 953 OD1 ASN A 61 8.669 -10.435 -12.260 1.00 0.00 O flip ATOM 954 ND2 ASN A 61 7.586 -9.087 -13.693 1.00 0.00 N flip ATOM 0 H ASN A 61 10.225 -8.401 -9.568 1.00 0.00 H new ATOM 0 HA ASN A 61 9.819 -7.317 -12.261 1.00 0.00 H new ATOM 0 HB2 ASN A 61 7.698 -8.674 -10.568 1.00 0.00 H new ATOM 0 HB3 ASN A 61 7.292 -7.471 -11.775 1.00 0.00 H new ATOM 0 HD21 ASN A 61 7.140 -8.192 -13.897 1.00 0.00 H new ATOM 0 HD22 ASN A 61 7.625 -9.813 -14.409 1.00 0.00 H new ATOM 961 N VAL A 62 10.329 -5.594 -10.217 1.00 0.00 N ATOM 962 CA VAL A 62 10.314 -4.340 -9.470 1.00 0.00 C ATOM 963 C VAL A 62 9.290 -3.363 -10.037 1.00 0.00 C ATOM 964 O VAL A 62 8.634 -2.636 -9.292 1.00 0.00 O ATOM 965 CB VAL A 62 11.700 -3.670 -9.477 1.00 0.00 C ATOM 966 CG1 VAL A 62 12.680 -4.455 -8.619 1.00 0.00 C ATOM 967 CG2 VAL A 62 12.219 -3.531 -10.900 1.00 0.00 C ATOM 0 H VAL A 62 11.261 -5.910 -10.487 1.00 0.00 H new ATOM 0 HA VAL A 62 10.038 -4.590 -8.446 1.00 0.00 H new ATOM 0 HB VAL A 62 11.601 -2.672 -9.051 1.00 0.00 H new ATOM 0 HG11 VAL A 62 13.653 -3.965 -8.637 1.00 0.00 H new ATOM 0 HG12 VAL A 62 12.314 -4.496 -7.593 1.00 0.00 H new ATOM 0 HG13 VAL A 62 12.776 -5.468 -9.011 1.00 0.00 H new ATOM 0 HG21 VAL A 62 13.200 -3.055 -10.885 1.00 0.00 H new ATOM 0 HG22 VAL A 62 12.301 -4.518 -11.355 1.00 0.00 H new ATOM 0 HG23 VAL A 62 11.528 -2.920 -11.481 1.00 0.00 H new ATOM 977 N LYS A 63 9.163 -3.347 -11.360 1.00 0.00 N ATOM 978 CA LYS A 63 8.221 -2.454 -12.024 1.00 0.00 C ATOM 979 C LYS A 63 8.682 -1.007 -11.901 1.00 0.00 C ATOM 980 O LYS A 63 8.163 -0.247 -11.086 1.00 0.00 O ATOM 981 CB LYS A 63 6.816 -2.615 -11.436 1.00 0.00 C ATOM 982 CG LYS A 63 5.716 -2.642 -12.485 1.00 0.00 C ATOM 983 CD LYS A 63 5.495 -4.046 -13.028 1.00 0.00 C ATOM 984 CE LYS A 63 5.673 -4.097 -14.536 1.00 0.00 C ATOM 985 NZ LYS A 63 7.092 -3.885 -14.935 1.00 0.00 N ATOM 0 H LYS A 63 9.700 -3.941 -11.992 1.00 0.00 H new ATOM 0 HA LYS A 63 8.185 -2.720 -13.080 1.00 0.00 H new ATOM 0 HB2 LYS A 63 6.777 -3.538 -10.857 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.625 -1.796 -10.743 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.789 -2.269 -12.050 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.977 -1.971 -13.304 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.196 -4.734 -12.555 1.00 0.00 H new ATOM 0 HD3 LYS A 63 4.492 -4.384 -12.768 1.00 0.00 H new ATOM 0 HE2 LYS A 63 5.331 -5.062 -14.909 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.047 -3.335 -15.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.241 -4.252 -15.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.310 -2.868 -14.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.718 -4.386 -14.273 1.00 0.00 H new ATOM 999 N ASP A 64 9.672 -0.644 -12.712 1.00 0.00 N ATOM 1000 CA ASP A 64 10.237 0.710 -12.711 1.00 0.00 C ATOM 1001 C ASP A 64 9.189 1.776 -12.377 1.00 0.00 C ATOM 1002 O ASP A 64 9.374 2.572 -11.457 1.00 0.00 O ATOM 1003 CB ASP A 64 10.867 1.016 -14.071 1.00 0.00 C ATOM 1004 CG ASP A 64 11.954 0.025 -14.440 1.00 0.00 C ATOM 1005 OD1 ASP A 64 13.095 0.188 -13.955 1.00 0.00 O ATOM 1006 OD2 ASP A 64 11.666 -0.911 -15.213 1.00 0.00 O ATOM 0 H ASP A 64 10.106 -1.274 -13.387 1.00 0.00 H new ATOM 0 HA ASP A 64 10.999 0.741 -11.932 1.00 0.00 H new ATOM 0 HB2 ASP A 64 10.093 1.004 -14.838 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.286 2.022 -14.056 1.00 0.00 H new ATOM 1011 N LYS A 65 8.091 1.784 -13.128 1.00 0.00 N ATOM 1012 CA LYS A 65 7.020 2.752 -12.907 1.00 0.00 C ATOM 1013 C LYS A 65 6.018 2.224 -11.901 1.00 0.00 C ATOM 1014 O LYS A 65 4.977 1.676 -12.262 1.00 0.00 O ATOM 1015 CB LYS A 65 6.328 3.076 -14.230 1.00 0.00 C ATOM 1016 CG LYS A 65 4.875 3.533 -14.131 1.00 0.00 C ATOM 1017 CD LYS A 65 3.939 2.575 -14.852 1.00 0.00 C ATOM 1018 CE LYS A 65 3.965 2.798 -16.356 1.00 0.00 C ATOM 1019 NZ LYS A 65 3.736 4.226 -16.710 1.00 0.00 N ATOM 0 H LYS A 65 7.919 1.132 -13.894 1.00 0.00 H new ATOM 0 HA LYS A 65 7.456 3.666 -12.503 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.899 3.855 -14.735 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.367 2.190 -14.864 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.586 3.606 -13.083 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.776 4.531 -14.559 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.227 1.547 -14.630 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.923 2.709 -14.481 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.927 2.475 -16.754 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.201 2.180 -16.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 3.394 4.290 -17.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.026 4.633 -16.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.628 4.753 -16.620 1.00 0.00 H new ATOM 1033 N ASP A 66 6.335 2.402 -10.638 1.00 0.00 N ATOM 1034 CA ASP A 66 5.440 1.954 -9.586 1.00 0.00 C ATOM 1035 C ASP A 66 5.629 2.691 -8.267 1.00 0.00 C ATOM 1036 O ASP A 66 6.667 2.579 -7.616 1.00 0.00 O ATOM 1037 CB ASP A 66 5.602 0.448 -9.357 1.00 0.00 C ATOM 1038 CG ASP A 66 4.529 -0.368 -10.054 1.00 0.00 C ATOM 1039 OD1 ASP A 66 3.667 0.232 -10.731 1.00 0.00 O ATOM 1040 OD2 ASP A 66 4.550 -1.610 -9.922 1.00 0.00 O ATOM 0 H ASP A 66 7.193 2.847 -10.313 1.00 0.00 H new ATOM 0 HA ASP A 66 4.432 2.181 -9.933 1.00 0.00 H new ATOM 0 HB2 ASP A 66 6.582 0.133 -9.715 1.00 0.00 H new ATOM 0 HB3 ASP A 66 5.572 0.242 -8.287 1.00 0.00 H new ATOM 1045 N THR A 67 4.566 3.357 -7.837 1.00 0.00 N ATOM 1046 CA THR A 67 4.541 4.023 -6.545 1.00 0.00 C ATOM 1047 C THR A 67 3.412 3.380 -5.767 1.00 0.00 C ATOM 1048 O THR A 67 2.310 3.233 -6.294 1.00 0.00 O ATOM 1049 CB THR A 67 4.314 5.538 -6.664 1.00 0.00 C ATOM 1050 OG1 THR A 67 2.932 5.843 -6.703 1.00 0.00 O ATOM 1051 CG2 THR A 67 4.952 6.162 -7.884 1.00 0.00 C ATOM 0 H THR A 67 3.702 3.450 -8.371 1.00 0.00 H new ATOM 0 HA THR A 67 5.504 3.909 -6.048 1.00 0.00 H new ATOM 0 HB THR A 67 4.790 5.957 -5.777 1.00 0.00 H new ATOM 0 HG1 THR A 67 2.576 5.634 -7.592 1.00 0.00 H new ATOM 0 HG21 THR A 67 4.746 7.232 -7.895 1.00 0.00 H new ATOM 0 HG22 THR A 67 6.029 6.000 -7.854 1.00 0.00 H new ATOM 0 HG23 THR A 67 4.541 5.704 -8.784 1.00 0.00 H new ATOM 1059 N LEU A 68 3.671 2.949 -4.547 1.00 0.00 N ATOM 1060 CA LEU A 68 2.631 2.279 -3.789 1.00 0.00 C ATOM 1061 C LEU A 68 2.479 2.805 -2.375 1.00 0.00 C ATOM 1062 O LEU A 68 3.457 3.090 -1.686 1.00 0.00 O ATOM 1063 CB LEU A 68 2.871 0.764 -3.766 1.00 0.00 C ATOM 1064 CG LEU A 68 4.334 0.317 -3.666 1.00 0.00 C ATOM 1065 CD1 LEU A 68 5.076 0.605 -4.962 1.00 0.00 C ATOM 1066 CD2 LEU A 68 5.022 0.990 -2.488 1.00 0.00 C ATOM 0 H LEU A 68 4.567 3.046 -4.069 1.00 0.00 H new ATOM 0 HA LEU A 68 1.695 2.496 -4.304 1.00 0.00 H new ATOM 0 HB2 LEU A 68 2.324 0.342 -2.922 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.442 0.334 -4.671 1.00 0.00 H new ATOM 0 HG LEU A 68 4.351 -0.760 -3.499 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.112 0.280 -4.868 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.599 0.067 -5.781 1.00 0.00 H new ATOM 0 HD13 LEU A 68 5.049 1.675 -5.167 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.059 0.659 -2.435 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.992 2.072 -2.619 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.508 0.722 -1.565 1.00 0.00 H new ATOM 1078 N VAL A 69 1.227 2.878 -1.939 1.00 0.00 N ATOM 1079 CA VAL A 69 0.911 3.304 -0.592 1.00 0.00 C ATOM 1080 C VAL A 69 0.405 2.088 0.155 1.00 0.00 C ATOM 1081 O VAL A 69 -0.407 1.337 -0.381 1.00 0.00 O ATOM 1082 CB VAL A 69 -0.156 4.425 -0.550 1.00 0.00 C ATOM 1083 CG1 VAL A 69 0.496 5.768 -0.259 1.00 0.00 C ATOM 1084 CG2 VAL A 69 -0.950 4.482 -1.850 1.00 0.00 C ATOM 0 H VAL A 69 0.413 2.645 -2.508 1.00 0.00 H new ATOM 0 HA VAL A 69 1.809 3.720 -0.135 1.00 0.00 H new ATOM 0 HB VAL A 69 -0.854 4.195 0.255 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.268 6.545 -0.233 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.003 5.725 0.705 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.221 5.998 -1.040 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.691 5.279 -1.789 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.273 4.679 -2.681 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.454 3.529 -2.010 1.00 0.00 H new ATOM 1094 N PHE A 70 0.892 1.851 1.364 1.00 0.00 N ATOM 1095 CA PHE A 70 0.457 0.663 2.085 1.00 0.00 C ATOM 1096 C PHE A 70 -0.585 0.987 3.133 1.00 0.00 C ATOM 1097 O PHE A 70 -0.667 2.111 3.627 1.00 0.00 O ATOM 1098 CB PHE A 70 1.647 -0.056 2.734 1.00 0.00 C ATOM 1099 CG PHE A 70 2.543 0.829 3.554 1.00 0.00 C ATOM 1100 CD1 PHE A 70 2.207 1.172 4.854 1.00 0.00 C ATOM 1101 CD2 PHE A 70 3.732 1.303 3.025 1.00 0.00 C ATOM 1102 CE1 PHE A 70 3.041 1.976 5.609 1.00 0.00 C ATOM 1103 CE2 PHE A 70 4.570 2.105 3.775 1.00 0.00 C ATOM 1104 CZ PHE A 70 4.225 2.442 5.069 1.00 0.00 C ATOM 0 H PHE A 70 1.565 2.441 1.853 1.00 0.00 H new ATOM 0 HA PHE A 70 0.001 -0.001 1.351 1.00 0.00 H new ATOM 0 HB2 PHE A 70 1.268 -0.856 3.370 1.00 0.00 H new ATOM 0 HB3 PHE A 70 2.241 -0.526 1.951 1.00 0.00 H new ATOM 0 HD1 PHE A 70 1.285 0.808 5.282 1.00 0.00 H new ATOM 0 HD2 PHE A 70 4.007 1.042 2.014 1.00 0.00 H new ATOM 0 HE1 PHE A 70 2.767 2.240 6.620 1.00 0.00 H new ATOM 0 HE2 PHE A 70 5.494 2.468 3.350 1.00 0.00 H new ATOM 0 HZ PHE A 70 4.879 3.068 5.658 1.00 0.00 H new ATOM 1114 N HIS A 71 -1.388 -0.024 3.454 1.00 0.00 N ATOM 1115 CA HIS A 71 -2.455 0.112 4.445 1.00 0.00 C ATOM 1116 C HIS A 71 -3.639 0.891 3.881 1.00 0.00 C ATOM 1117 O HIS A 71 -4.678 0.310 3.573 1.00 0.00 O ATOM 1118 CB HIS A 71 -1.935 0.788 5.718 1.00 0.00 C ATOM 1119 CG HIS A 71 -1.524 -0.190 6.771 1.00 0.00 C ATOM 1120 ND1 HIS A 71 -1.840 -1.498 6.934 1.00 0.00 N flip ATOM 1121 CD2 HIS A 71 -0.674 0.128 7.806 1.00 0.00 C flip ATOM 1122 CE1 HIS A 71 -1.179 -1.939 8.052 1.00 0.00 C flip ATOM 1123 NE2 HIS A 71 -0.482 -0.940 8.559 1.00 0.00 N flip ATOM 0 H HIS A 71 -1.320 -0.953 3.039 1.00 0.00 H new ATOM 0 HA HIS A 71 -2.797 -0.892 4.698 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -1.084 1.421 5.465 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -2.710 1.441 6.119 1.00 0.00 H new ATOM 0 HD1 HIS A 71 -2.455 -2.051 6.337 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -0.233 1.099 7.976 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -1.222 -2.941 8.452 1.00 0.00 H new ATOM 1132 N SER A 72 -3.469 2.212 3.777 1.00 0.00 N ATOM 1133 CA SER A 72 -4.499 3.128 3.283 1.00 0.00 C ATOM 1134 C SER A 72 -4.811 4.116 4.387 1.00 0.00 C ATOM 1135 O SER A 72 -4.959 5.311 4.155 1.00 0.00 O ATOM 1136 CB SER A 72 -5.778 2.400 2.845 1.00 0.00 C ATOM 1137 OG SER A 72 -6.714 3.304 2.286 1.00 0.00 O ATOM 0 H SER A 72 -2.601 2.680 4.037 1.00 0.00 H new ATOM 0 HA SER A 72 -4.118 3.635 2.397 1.00 0.00 H new ATOM 0 HB2 SER A 72 -5.530 1.631 2.114 1.00 0.00 H new ATOM 0 HB3 SER A 72 -6.223 1.894 3.702 1.00 0.00 H new ATOM 0 HG SER A 72 -7.519 2.815 2.014 1.00 0.00 H new ATOM 1143 N ALA A 73 -4.872 3.600 5.601 1.00 0.00 N ATOM 1144 CA ALA A 73 -5.123 4.413 6.773 1.00 0.00 C ATOM 1145 C ALA A 73 -3.918 4.311 7.702 1.00 0.00 C ATOM 1146 O ALA A 73 -2.783 4.224 7.233 1.00 0.00 O ATOM 1147 CB ALA A 73 -6.404 3.961 7.464 1.00 0.00 C ATOM 0 H ALA A 73 -4.749 2.607 5.800 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.262 5.456 6.487 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -6.581 4.580 8.343 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -7.243 4.060 6.776 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -6.305 2.919 7.768 1.00 0.00 H new ATOM 1153 N LEU A 74 -4.148 4.277 9.004 1.00 0.00 N ATOM 1154 CA LEU A 74 -3.063 4.139 9.949 1.00 0.00 C ATOM 1155 C LEU A 74 -3.313 2.891 10.767 1.00 0.00 C ATOM 1156 O LEU A 74 -3.532 2.973 11.972 1.00 0.00 O ATOM 1157 CB LEU A 74 -2.975 5.375 10.856 1.00 0.00 C ATOM 1158 CG LEU A 74 -1.586 5.708 11.434 1.00 0.00 C ATOM 1159 CD1 LEU A 74 -1.639 5.756 12.953 1.00 0.00 C ATOM 1160 CD2 LEU A 74 -0.529 4.709 10.975 1.00 0.00 C ATOM 0 H LEU A 74 -5.075 4.343 9.425 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.113 4.055 9.421 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.325 6.239 10.290 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.666 5.238 11.688 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.301 6.690 11.056 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.650 5.992 13.344 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.347 6.523 13.268 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.959 4.787 13.337 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.436 4.978 11.404 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.807 3.708 11.305 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.460 4.726 9.887 1.00 0.00 H new ATOM 1172 N SER A 75 -3.320 1.736 10.084 1.00 0.00 N ATOM 1173 CA SER A 75 -3.587 0.453 10.737 1.00 0.00 C ATOM 1174 C SER A 75 -2.940 0.370 12.116 1.00 0.00 C ATOM 1175 O SER A 75 -1.939 -0.310 12.304 1.00 0.00 O ATOM 1176 CB SER A 75 -3.105 -0.704 9.859 1.00 0.00 C ATOM 1177 OG SER A 75 -4.100 -1.709 9.746 1.00 0.00 O ATOM 0 H SER A 75 -3.144 1.668 9.082 1.00 0.00 H new ATOM 0 HA SER A 75 -4.666 0.376 10.873 1.00 0.00 H new ATOM 0 HB2 SER A 75 -2.848 -0.330 8.868 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.197 -1.133 10.283 1.00 0.00 H new ATOM 0 HG SER A 75 -4.656 -1.711 10.553 1.00 0.00 H new ATOM 1183 N GLN A 76 -3.517 1.086 13.075 1.00 0.00 N ATOM 1184 CA GLN A 76 -2.996 1.111 14.443 1.00 0.00 C ATOM 1185 C GLN A 76 -1.481 1.316 14.439 1.00 0.00 C ATOM 1186 O GLN A 76 -0.728 0.524 15.004 1.00 0.00 O ATOM 1187 CB GLN A 76 -3.363 -0.170 15.218 1.00 0.00 C ATOM 1188 CG GLN A 76 -3.933 -1.298 14.366 1.00 0.00 C ATOM 1189 CD GLN A 76 -5.283 -0.959 13.764 1.00 0.00 C ATOM 1190 OE1 GLN A 76 -5.429 -1.195 12.466 1.00 0.00 O flip ATOM 1191 NE2 GLN A 76 -6.186 -0.490 14.459 1.00 0.00 N flip ATOM 0 H GLN A 76 -4.348 1.659 12.933 1.00 0.00 H new ATOM 0 HA GLN A 76 -3.464 1.952 14.955 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -2.472 -0.535 15.729 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -4.090 0.086 15.989 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -3.232 -1.531 13.565 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -4.028 -2.195 14.977 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -6.031 -0.324 15.453 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -7.089 -0.267 14.040 1.00 0.00 H new ATOM 1200 N VAL A 77 -1.057 2.393 13.783 1.00 0.00 N ATOM 1201 CA VAL A 77 0.358 2.751 13.671 1.00 0.00 C ATOM 1202 C VAL A 77 1.229 1.584 13.195 1.00 0.00 C ATOM 1203 O VAL A 77 2.450 1.612 13.355 1.00 0.00 O ATOM 1204 CB VAL A 77 0.918 3.303 15.000 1.00 0.00 C ATOM 1205 CG1 VAL A 77 0.103 4.500 15.466 1.00 0.00 C ATOM 1206 CG2 VAL A 77 0.951 2.227 16.075 1.00 0.00 C ATOM 0 H VAL A 77 -1.685 3.045 13.312 1.00 0.00 H new ATOM 0 HA VAL A 77 0.401 3.535 12.914 1.00 0.00 H new ATOM 0 HB VAL A 77 1.943 3.628 14.822 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.512 4.876 16.404 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.145 5.285 14.711 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.933 4.198 15.617 1.00 0.00 H new ATOM 0 HG21 VAL A 77 1.350 2.647 16.998 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.059 1.858 16.251 1.00 0.00 H new ATOM 0 HG23 VAL A 77 1.586 1.404 15.747 1.00 0.00 H new ATOM 1216 N ARG A 78 0.610 0.573 12.590 1.00 0.00 N ATOM 1217 CA ARG A 78 1.353 -0.574 12.074 1.00 0.00 C ATOM 1218 C ARG A 78 2.031 -0.225 10.758 1.00 0.00 C ATOM 1219 O ARG A 78 3.022 -0.845 10.390 1.00 0.00 O ATOM 1220 CB ARG A 78 0.452 -1.801 11.904 1.00 0.00 C ATOM 1221 CG ARG A 78 0.807 -2.946 12.835 1.00 0.00 C ATOM 1222 CD ARG A 78 -0.032 -2.915 14.101 1.00 0.00 C ATOM 1223 NE ARG A 78 0.574 -3.691 15.180 1.00 0.00 N ATOM 1224 CZ ARG A 78 -0.093 -4.130 16.245 1.00 0.00 C ATOM 1225 NH1 ARG A 78 -1.388 -3.875 16.376 1.00 0.00 N ATOM 1226 NH2 ARG A 78 0.536 -4.829 17.180 1.00 0.00 N ATOM 0 H ARG A 78 -0.399 0.524 12.445 1.00 0.00 H new ATOM 0 HA ARG A 78 2.119 -0.825 12.807 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -0.583 -1.509 12.079 1.00 0.00 H new ATOM 0 HB3 ARG A 78 0.515 -2.149 10.873 1.00 0.00 H new ATOM 0 HG2 ARG A 78 0.656 -3.895 12.320 1.00 0.00 H new ATOM 0 HG3 ARG A 78 1.864 -2.890 13.096 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -0.160 -1.882 14.425 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -1.026 -3.308 13.887 1.00 0.00 H new ATOM 0 HE ARG A 78 1.568 -3.910 15.113 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -1.878 -3.340 15.659 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -1.894 -4.214 17.194 1.00 0.00 H new ATOM 0 HH21 ARG A 78 1.531 -5.030 17.083 1.00 0.00 H new ATOM 0 HH22 ARG A 78 0.025 -5.165 17.996 1.00 0.00 H new ATOM 1240 N GLY A 79 1.484 0.768 10.048 1.00 0.00 N ATOM 1241 CA GLY A 79 2.061 1.186 8.777 1.00 0.00 C ATOM 1242 C GLY A 79 3.574 1.037 8.758 1.00 0.00 C ATOM 1243 O GLY A 79 4.121 0.333 7.909 1.00 0.00 O ATOM 0 H GLY A 79 0.653 1.288 10.332 1.00 0.00 H new ATOM 0 HA2 GLY A 79 1.629 0.593 7.971 1.00 0.00 H new ATOM 0 HA3 GLY A 79 1.797 2.226 8.584 1.00 0.00 H new ATOM 1247 N PRO A 80 4.281 1.671 9.718 1.00 0.00 N ATOM 1248 CA PRO A 80 5.736 1.565 9.812 1.00 0.00 C ATOM 1249 C PRO A 80 6.164 0.108 9.896 1.00 0.00 C ATOM 1250 O PRO A 80 7.187 -0.282 9.336 1.00 0.00 O ATOM 1251 CB PRO A 80 6.087 2.314 11.107 1.00 0.00 C ATOM 1252 CG PRO A 80 4.798 2.472 11.839 1.00 0.00 C ATOM 1253 CD PRO A 80 3.723 2.508 10.792 1.00 0.00 C ATOM 0 HA PRO A 80 6.243 1.981 8.941 1.00 0.00 H new ATOM 0 HB2 PRO A 80 6.809 1.754 11.701 1.00 0.00 H new ATOM 0 HB3 PRO A 80 6.536 3.283 10.890 1.00 0.00 H new ATOM 0 HG2 PRO A 80 4.640 1.645 12.531 1.00 0.00 H new ATOM 0 HG3 PRO A 80 4.796 3.388 12.431 1.00 0.00 H new ATOM 0 HD2 PRO A 80 2.781 2.109 11.167 1.00 0.00 H new ATOM 0 HD3 PRO A 80 3.525 3.524 10.451 1.00 0.00 H new ATOM 1261 N THR A 81 5.351 -0.703 10.578 1.00 0.00 N ATOM 1262 CA THR A 81 5.629 -2.128 10.702 1.00 0.00 C ATOM 1263 C THR A 81 5.654 -2.762 9.317 1.00 0.00 C ATOM 1264 O THR A 81 6.530 -3.567 9.004 1.00 0.00 O ATOM 1265 CB THR A 81 4.572 -2.807 11.574 1.00 0.00 C ATOM 1266 OG1 THR A 81 4.127 -1.932 12.595 1.00 0.00 O ATOM 1267 CG2 THR A 81 5.068 -4.072 12.240 1.00 0.00 C ATOM 0 H THR A 81 4.500 -0.395 11.049 1.00 0.00 H new ATOM 0 HA THR A 81 6.601 -2.260 11.178 1.00 0.00 H new ATOM 0 HB THR A 81 3.761 -3.067 10.894 1.00 0.00 H new ATOM 0 HG1 THR A 81 4.011 -2.434 13.428 1.00 0.00 H new ATOM 0 HG21 THR A 81 4.269 -4.503 12.843 1.00 0.00 H new ATOM 0 HG22 THR A 81 5.374 -4.789 11.478 1.00 0.00 H new ATOM 0 HG23 THR A 81 5.919 -3.837 12.879 1.00 0.00 H new ATOM 1275 N CYS A 82 4.696 -2.361 8.478 1.00 0.00 N ATOM 1276 CA CYS A 82 4.626 -2.863 7.112 1.00 0.00 C ATOM 1277 C CYS A 82 5.922 -2.516 6.400 1.00 0.00 C ATOM 1278 O CYS A 82 6.536 -3.360 5.748 1.00 0.00 O ATOM 1279 CB CYS A 82 3.433 -2.256 6.373 1.00 0.00 C ATOM 1280 SG CYS A 82 1.839 -2.565 7.167 1.00 0.00 S ATOM 0 H CYS A 82 3.964 -1.694 8.722 1.00 0.00 H new ATOM 0 HA CYS A 82 4.491 -3.944 7.128 1.00 0.00 H new ATOM 0 HB2 CYS A 82 3.582 -1.180 6.287 1.00 0.00 H new ATOM 0 HB3 CYS A 82 3.406 -2.656 5.359 1.00 0.00 H new ATOM 0 HG CYS A 82 1.386 -1.458 7.676 1.00 0.00 H new ATOM 1286 N ALA A 83 6.352 -1.267 6.574 1.00 0.00 N ATOM 1287 CA ALA A 83 7.603 -0.817 5.989 1.00 0.00 C ATOM 1288 C ALA A 83 8.736 -1.656 6.556 1.00 0.00 C ATOM 1289 O ALA A 83 9.723 -1.930 5.876 1.00 0.00 O ATOM 1290 CB ALA A 83 7.831 0.661 6.268 1.00 0.00 C ATOM 0 H ALA A 83 5.854 -0.558 7.112 1.00 0.00 H new ATOM 0 HA ALA A 83 7.564 -0.941 4.907 1.00 0.00 H new ATOM 0 HB1 ALA A 83 8.774 0.975 5.820 1.00 0.00 H new ATOM 0 HB2 ALA A 83 7.015 1.242 5.839 1.00 0.00 H new ATOM 0 HB3 ALA A 83 7.868 0.827 7.345 1.00 0.00 H new ATOM 1296 N ARG A 84 8.560 -2.093 7.805 1.00 0.00 N ATOM 1297 CA ARG A 84 9.541 -2.939 8.465 1.00 0.00 C ATOM 1298 C ARG A 84 9.711 -4.218 7.663 1.00 0.00 C ATOM 1299 O ARG A 84 10.807 -4.761 7.551 1.00 0.00 O ATOM 1300 CB ARG A 84 9.098 -3.267 9.892 1.00 0.00 C ATOM 1301 CG ARG A 84 10.246 -3.341 10.884 1.00 0.00 C ATOM 1302 CD ARG A 84 9.740 -3.460 12.315 1.00 0.00 C ATOM 1303 NE ARG A 84 10.111 -2.302 13.125 1.00 0.00 N ATOM 1304 CZ ARG A 84 11.324 -2.113 13.638 1.00 0.00 C ATOM 1305 NH1 ARG A 84 12.288 -2.999 13.424 1.00 0.00 N ATOM 1306 NH2 ARG A 84 11.574 -1.033 14.365 1.00 0.00 N ATOM 0 H ARG A 84 7.744 -1.871 8.375 1.00 0.00 H new ATOM 0 HA ARG A 84 10.492 -2.410 8.520 1.00 0.00 H new ATOM 0 HB2 ARG A 84 8.388 -2.510 10.226 1.00 0.00 H new ATOM 0 HB3 ARG A 84 8.569 -4.220 9.889 1.00 0.00 H new ATOM 0 HG2 ARG A 84 10.878 -4.197 10.648 1.00 0.00 H new ATOM 0 HG3 ARG A 84 10.868 -2.451 10.790 1.00 0.00 H new ATOM 0 HD2 ARG A 84 8.655 -3.565 12.308 1.00 0.00 H new ATOM 0 HD3 ARG A 84 10.145 -4.365 12.769 1.00 0.00 H new ATOM 0 HE ARG A 84 9.398 -1.596 13.308 1.00 0.00 H new ATOM 0 HH11 ARG A 84 12.101 -3.831 12.864 1.00 0.00 H new ATOM 0 HH12 ARG A 84 13.216 -2.849 13.820 1.00 0.00 H new ATOM 0 HH21 ARG A 84 10.837 -0.348 14.531 1.00 0.00 H new ATOM 0 HH22 ARG A 84 12.504 -0.887 14.759 1.00 0.00 H new ATOM 1320 N ARG A 85 8.609 -4.678 7.075 1.00 0.00 N ATOM 1321 CA ARG A 85 8.644 -5.870 6.247 1.00 0.00 C ATOM 1322 C ARG A 85 9.423 -5.556 4.984 1.00 0.00 C ATOM 1323 O ARG A 85 10.233 -6.360 4.524 1.00 0.00 O ATOM 1324 CB ARG A 85 7.228 -6.344 5.908 1.00 0.00 C ATOM 1325 CG ARG A 85 6.282 -6.342 7.100 1.00 0.00 C ATOM 1326 CD ARG A 85 6.076 -7.744 7.653 1.00 0.00 C ATOM 1327 NE ARG A 85 5.007 -7.789 8.649 1.00 0.00 N ATOM 1328 CZ ARG A 85 3.710 -7.748 8.347 1.00 0.00 C ATOM 1329 NH1 ARG A 85 3.319 -7.665 7.082 1.00 0.00 N ATOM 1330 NH2 ARG A 85 2.803 -7.790 9.312 1.00 0.00 N ATOM 0 H ARG A 85 7.690 -4.244 7.158 1.00 0.00 H new ATOM 0 HA ARG A 85 9.133 -6.678 6.791 1.00 0.00 H new ATOM 0 HB2 ARG A 85 6.817 -5.704 5.128 1.00 0.00 H new ATOM 0 HB3 ARG A 85 7.280 -7.353 5.498 1.00 0.00 H new ATOM 0 HG2 ARG A 85 6.682 -5.697 7.882 1.00 0.00 H new ATOM 0 HG3 ARG A 85 5.321 -5.923 6.802 1.00 0.00 H new ATOM 0 HD2 ARG A 85 5.839 -8.425 6.835 1.00 0.00 H new ATOM 0 HD3 ARG A 85 7.005 -8.097 8.102 1.00 0.00 H new ATOM 0 HE ARG A 85 5.269 -7.856 9.632 1.00 0.00 H new ATOM 0 HH11 ARG A 85 4.013 -7.632 6.335 1.00 0.00 H new ATOM 0 HH12 ARG A 85 2.325 -7.634 6.857 1.00 0.00 H new ATOM 0 HH21 ARG A 85 3.098 -7.854 10.286 1.00 0.00 H new ATOM 0 HH22 ARG A 85 1.810 -7.759 9.080 1.00 0.00 H new ATOM 1344 N LEU A 86 9.211 -4.354 4.454 1.00 0.00 N ATOM 1345 CA LEU A 86 9.949 -3.925 3.277 1.00 0.00 C ATOM 1346 C LEU A 86 11.421 -3.817 3.651 1.00 0.00 C ATOM 1347 O LEU A 86 12.300 -4.016 2.817 1.00 0.00 O ATOM 1348 CB LEU A 86 9.421 -2.586 2.753 1.00 0.00 C ATOM 1349 CG LEU A 86 8.429 -2.688 1.594 1.00 0.00 C ATOM 1350 CD1 LEU A 86 7.876 -1.316 1.241 1.00 0.00 C ATOM 1351 CD2 LEU A 86 9.091 -3.325 0.381 1.00 0.00 C ATOM 0 H LEU A 86 8.545 -3.672 4.816 1.00 0.00 H new ATOM 0 HA LEU A 86 9.821 -4.654 2.477 1.00 0.00 H new ATOM 0 HB2 LEU A 86 8.941 -2.055 3.576 1.00 0.00 H new ATOM 0 HB3 LEU A 86 10.268 -1.979 2.433 1.00 0.00 H new ATOM 0 HG LEU A 86 7.599 -3.322 1.907 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.172 -1.409 0.414 1.00 0.00 H new ATOM 0 HD12 LEU A 86 7.365 -0.896 2.107 1.00 0.00 H new ATOM 0 HD13 LEU A 86 8.694 -0.658 0.948 1.00 0.00 H new ATOM 0 HD21 LEU A 86 8.371 -3.390 -0.434 1.00 0.00 H new ATOM 0 HD22 LEU A 86 9.940 -2.717 0.068 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.438 -4.326 0.639 1.00 0.00 H new ATOM 1363 N VAL A 87 11.688 -3.555 4.934 1.00 0.00 N ATOM 1364 CA VAL A 87 13.058 -3.497 5.411 1.00 0.00 C ATOM 1365 C VAL A 87 13.653 -4.887 5.273 1.00 0.00 C ATOM 1366 O VAL A 87 14.808 -5.049 4.881 1.00 0.00 O ATOM 1367 CB VAL A 87 13.161 -3.024 6.877 1.00 0.00 C ATOM 1368 CG1 VAL A 87 14.603 -3.085 7.362 1.00 0.00 C ATOM 1369 CG2 VAL A 87 12.608 -1.614 7.026 1.00 0.00 C ATOM 0 H VAL A 87 10.979 -3.383 5.647 1.00 0.00 H new ATOM 0 HA VAL A 87 13.604 -2.766 4.814 1.00 0.00 H new ATOM 0 HB VAL A 87 12.563 -3.695 7.494 1.00 0.00 H new ATOM 0 HG11 VAL A 87 14.653 -2.747 8.397 1.00 0.00 H new ATOM 0 HG12 VAL A 87 14.966 -4.111 7.297 1.00 0.00 H new ATOM 0 HG13 VAL A 87 15.224 -2.440 6.740 1.00 0.00 H new ATOM 0 HG21 VAL A 87 12.690 -1.299 8.066 1.00 0.00 H new ATOM 0 HG22 VAL A 87 13.177 -0.931 6.395 1.00 0.00 H new ATOM 0 HG23 VAL A 87 11.561 -1.600 6.724 1.00 0.00 H new ATOM 1379 N ASN A 88 12.822 -5.901 5.546 1.00 0.00 N ATOM 1380 CA ASN A 88 13.242 -7.285 5.393 1.00 0.00 C ATOM 1381 C ASN A 88 13.561 -7.534 3.922 1.00 0.00 C ATOM 1382 O ASN A 88 14.341 -8.422 3.576 1.00 0.00 O ATOM 1383 CB ASN A 88 12.133 -8.239 5.881 1.00 0.00 C ATOM 1384 CG ASN A 88 11.865 -9.399 4.928 1.00 0.00 C ATOM 1385 OD1 ASN A 88 12.679 -10.314 4.805 1.00 0.00 O ATOM 1386 ND2 ASN A 88 10.720 -9.365 4.246 1.00 0.00 N ATOM 0 H ASN A 88 11.863 -5.783 5.871 1.00 0.00 H new ATOM 0 HA ASN A 88 14.130 -7.474 5.996 1.00 0.00 H new ATOM 0 HB2 ASN A 88 12.411 -8.638 6.857 1.00 0.00 H new ATOM 0 HB3 ASN A 88 11.212 -7.672 6.019 1.00 0.00 H new ATOM 0 HD21 ASN A 88 10.492 -10.115 3.594 1.00 0.00 H new ATOM 0 HD22 ASN A 88 10.072 -8.589 4.376 1.00 0.00 H new ATOM 1393 N TYR A 89 12.941 -6.725 3.066 1.00 0.00 N ATOM 1394 CA TYR A 89 13.133 -6.823 1.628 1.00 0.00 C ATOM 1395 C TYR A 89 14.487 -6.263 1.222 1.00 0.00 C ATOM 1396 O TYR A 89 15.307 -6.970 0.637 1.00 0.00 O ATOM 1397 CB TYR A 89 11.994 -6.092 0.904 1.00 0.00 C ATOM 1398 CG TYR A 89 11.960 -6.315 -0.586 1.00 0.00 C ATOM 1399 CD1 TYR A 89 12.895 -5.715 -1.417 1.00 0.00 C ATOM 1400 CD2 TYR A 89 11.001 -7.138 -1.159 1.00 0.00 C ATOM 1401 CE1 TYR A 89 12.870 -5.929 -2.779 1.00 0.00 C ATOM 1402 CE2 TYR A 89 10.973 -7.360 -2.517 1.00 0.00 C ATOM 1403 CZ TYR A 89 11.910 -6.751 -3.321 1.00 0.00 C ATOM 1404 OH TYR A 89 11.889 -6.971 -4.670 1.00 0.00 O ATOM 0 H TYR A 89 12.296 -5.988 3.351 1.00 0.00 H new ATOM 0 HA TYR A 89 13.114 -7.874 1.340 1.00 0.00 H new ATOM 0 HB2 TYR A 89 11.043 -6.414 1.329 1.00 0.00 H new ATOM 0 HB3 TYR A 89 12.084 -5.023 1.097 1.00 0.00 H new ATOM 0 HD1 TYR A 89 13.652 -5.072 -0.992 1.00 0.00 H new ATOM 0 HD2 TYR A 89 10.264 -7.613 -0.528 1.00 0.00 H new ATOM 0 HE1 TYR A 89 13.601 -5.454 -3.417 1.00 0.00 H new ATOM 0 HE2 TYR A 89 10.223 -8.006 -2.948 1.00 0.00 H new ATOM 0 HH TYR A 89 12.239 -6.183 -5.135 1.00 0.00 H new ATOM 1414 N LEU A 90 14.736 -5.002 1.555 1.00 0.00 N ATOM 1415 CA LEU A 90 16.015 -4.385 1.238 1.00 0.00 C ATOM 1416 C LEU A 90 17.132 -5.243 1.817 1.00 0.00 C ATOM 1417 O LEU A 90 18.190 -5.404 1.216 1.00 0.00 O ATOM 1418 CB LEU A 90 16.077 -2.962 1.807 1.00 0.00 C ATOM 1419 CG LEU A 90 17.468 -2.315 1.841 1.00 0.00 C ATOM 1420 CD1 LEU A 90 18.255 -2.798 3.051 1.00 0.00 C ATOM 1421 CD2 LEU A 90 18.231 -2.603 0.555 1.00 0.00 C ATOM 0 H LEU A 90 14.076 -4.393 2.039 1.00 0.00 H new ATOM 0 HA LEU A 90 16.132 -4.318 0.156 1.00 0.00 H new ATOM 0 HB2 LEU A 90 15.416 -2.326 1.218 1.00 0.00 H new ATOM 0 HB3 LEU A 90 15.681 -2.980 2.822 1.00 0.00 H new ATOM 0 HG LEU A 90 17.338 -1.236 1.924 1.00 0.00 H new ATOM 0 HD11 LEU A 90 19.238 -2.328 3.057 1.00 0.00 H new ATOM 0 HD12 LEU A 90 17.720 -2.532 3.963 1.00 0.00 H new ATOM 0 HD13 LEU A 90 18.371 -3.881 3.001 1.00 0.00 H new ATOM 0 HD21 LEU A 90 19.214 -2.134 0.602 1.00 0.00 H new ATOM 0 HD22 LEU A 90 18.348 -3.680 0.435 1.00 0.00 H new ATOM 0 HD23 LEU A 90 17.678 -2.201 -0.294 1.00 0.00 H new ATOM 1433 N ASP A 91 16.866 -5.807 2.988 1.00 0.00 N ATOM 1434 CA ASP A 91 17.818 -6.672 3.662 1.00 0.00 C ATOM 1435 C ASP A 91 17.972 -7.998 2.921 1.00 0.00 C ATOM 1436 O ASP A 91 19.045 -8.600 2.931 1.00 0.00 O ATOM 1437 CB ASP A 91 17.375 -6.927 5.105 1.00 0.00 C ATOM 1438 CG ASP A 91 18.538 -6.917 6.077 1.00 0.00 C ATOM 1439 OD1 ASP A 91 19.261 -5.899 6.125 1.00 0.00 O ATOM 1440 OD2 ASP A 91 18.726 -7.924 6.790 1.00 0.00 O ATOM 0 H ASP A 91 15.989 -5.677 3.493 1.00 0.00 H new ATOM 0 HA ASP A 91 18.785 -6.169 3.670 1.00 0.00 H new ATOM 0 HB2 ASP A 91 16.652 -6.166 5.400 1.00 0.00 H new ATOM 0 HB3 ASP A 91 16.866 -7.889 5.161 1.00 0.00 H new ATOM 1445 N GLU A 92 16.891 -8.462 2.289 1.00 0.00 N ATOM 1446 CA GLU A 92 16.925 -9.728 1.565 1.00 0.00 C ATOM 1447 C GLU A 92 17.685 -9.604 0.248 1.00 0.00 C ATOM 1448 O GLU A 92 18.720 -10.242 0.056 1.00 0.00 O ATOM 1449 CB GLU A 92 15.507 -10.224 1.291 1.00 0.00 C ATOM 1450 CG GLU A 92 15.439 -11.692 0.901 1.00 0.00 C ATOM 1451 CD GLU A 92 15.081 -12.594 2.066 1.00 0.00 C ATOM 1452 OE1 GLU A 92 15.214 -12.147 3.225 1.00 0.00 O ATOM 1453 OE2 GLU A 92 14.670 -13.747 1.820 1.00 0.00 O ATOM 0 H GLU A 92 15.991 -7.983 2.266 1.00 0.00 H new ATOM 0 HA GLU A 92 17.448 -10.448 2.195 1.00 0.00 H new ATOM 0 HB2 GLU A 92 14.897 -10.065 2.180 1.00 0.00 H new ATOM 0 HB3 GLU A 92 15.069 -9.624 0.493 1.00 0.00 H new ATOM 0 HG2 GLU A 92 14.701 -11.819 0.109 1.00 0.00 H new ATOM 0 HG3 GLU A 92 16.401 -11.999 0.492 1.00 0.00 H new ATOM 1460 N LYS A 93 17.156 -8.793 -0.664 1.00 0.00 N ATOM 1461 CA LYS A 93 17.778 -8.606 -1.969 1.00 0.00 C ATOM 1462 C LYS A 93 18.315 -7.189 -2.132 1.00 0.00 C ATOM 1463 O LYS A 93 18.153 -6.574 -3.185 1.00 0.00 O ATOM 1464 CB LYS A 93 16.766 -8.917 -3.074 1.00 0.00 C ATOM 1465 CG LYS A 93 16.951 -10.289 -3.705 1.00 0.00 C ATOM 1466 CD LYS A 93 16.966 -11.390 -2.656 1.00 0.00 C ATOM 1467 CE LYS A 93 17.372 -12.725 -3.257 1.00 0.00 C ATOM 1468 NZ LYS A 93 18.692 -12.648 -3.941 1.00 0.00 N ATOM 0 H LYS A 93 16.300 -8.256 -0.523 1.00 0.00 H new ATOM 0 HA LYS A 93 18.622 -9.292 -2.045 1.00 0.00 H new ATOM 0 HB2 LYS A 93 15.759 -8.849 -2.662 1.00 0.00 H new ATOM 0 HB3 LYS A 93 16.844 -8.156 -3.851 1.00 0.00 H new ATOM 0 HG2 LYS A 93 16.146 -10.474 -4.416 1.00 0.00 H new ATOM 0 HG3 LYS A 93 17.885 -10.309 -4.267 1.00 0.00 H new ATOM 0 HD2 LYS A 93 17.658 -11.124 -1.857 1.00 0.00 H new ATOM 0 HD3 LYS A 93 15.978 -11.478 -2.205 1.00 0.00 H new ATOM 0 HE2 LYS A 93 17.414 -13.479 -2.471 1.00 0.00 H new ATOM 0 HE3 LYS A 93 16.613 -13.048 -3.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 19.082 -13.606 -4.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 18.573 -12.212 -4.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 19.345 -12.072 -3.372 1.00 0.00 H new ATOM 1482 N LYS A 94 18.956 -6.683 -1.080 1.00 0.00 N ATOM 1483 CA LYS A 94 19.533 -5.333 -1.084 1.00 0.00 C ATOM 1484 C LYS A 94 20.009 -4.923 -2.477 1.00 0.00 C ATOM 1485 O LYS A 94 20.445 -5.764 -3.265 1.00 0.00 O ATOM 1486 CB LYS A 94 20.698 -5.256 -0.096 1.00 0.00 C ATOM 1487 CG LYS A 94 21.869 -6.149 -0.467 1.00 0.00 C ATOM 1488 CD LYS A 94 21.813 -7.477 0.271 1.00 0.00 C ATOM 1489 CE LYS A 94 23.205 -8.027 0.530 1.00 0.00 C ATOM 1490 NZ LYS A 94 23.165 -9.422 1.048 1.00 0.00 N ATOM 0 H LYS A 94 19.091 -7.190 -0.205 1.00 0.00 H new ATOM 0 HA LYS A 94 18.748 -4.640 -0.781 1.00 0.00 H new ATOM 0 HB2 LYS A 94 21.044 -4.224 -0.034 1.00 0.00 H new ATOM 0 HB3 LYS A 94 20.341 -5.532 0.896 1.00 0.00 H new ATOM 0 HG2 LYS A 94 21.865 -6.329 -1.542 1.00 0.00 H new ATOM 0 HG3 LYS A 94 22.804 -5.641 -0.233 1.00 0.00 H new ATOM 0 HD2 LYS A 94 21.290 -7.347 1.218 1.00 0.00 H new ATOM 0 HD3 LYS A 94 21.239 -8.196 -0.314 1.00 0.00 H new ATOM 0 HE2 LYS A 94 23.783 -7.999 -0.393 1.00 0.00 H new ATOM 0 HE3 LYS A 94 23.720 -7.388 1.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 24.135 -9.760 1.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 22.635 -9.445 1.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 22.697 -10.037 0.352 1.00 0.00 H new ATOM 1504 N GLU A 95 19.913 -3.629 -2.776 1.00 0.00 N ATOM 1505 CA GLU A 95 20.319 -3.107 -4.080 1.00 0.00 C ATOM 1506 C GLU A 95 19.263 -3.440 -5.127 1.00 0.00 C ATOM 1507 O GLU A 95 19.577 -3.675 -6.294 1.00 0.00 O ATOM 1508 CB GLU A 95 21.673 -3.686 -4.496 1.00 0.00 C ATOM 1509 CG GLU A 95 22.688 -2.635 -4.909 1.00 0.00 C ATOM 1510 CD GLU A 95 23.510 -3.062 -6.109 1.00 0.00 C ATOM 1511 OE1 GLU A 95 24.192 -4.105 -6.019 1.00 0.00 O ATOM 1512 OE2 GLU A 95 23.471 -2.357 -7.139 1.00 0.00 O ATOM 0 H GLU A 95 19.557 -2.922 -2.133 1.00 0.00 H new ATOM 0 HA GLU A 95 20.416 -2.024 -4.004 1.00 0.00 H new ATOM 0 HB2 GLU A 95 22.080 -4.265 -3.667 1.00 0.00 H new ATOM 0 HB3 GLU A 95 21.523 -4.378 -5.325 1.00 0.00 H new ATOM 0 HG2 GLU A 95 22.169 -1.705 -5.140 1.00 0.00 H new ATOM 0 HG3 GLU A 95 23.354 -2.429 -4.071 1.00 0.00 H new ATOM 1519 N ASP A 96 18.010 -3.469 -4.690 1.00 0.00 N ATOM 1520 CA ASP A 96 16.893 -3.787 -5.575 1.00 0.00 C ATOM 1521 C ASP A 96 16.172 -2.525 -6.045 1.00 0.00 C ATOM 1522 O ASP A 96 16.240 -2.165 -7.219 1.00 0.00 O ATOM 1523 CB ASP A 96 15.903 -4.723 -4.871 1.00 0.00 C ATOM 1524 CG ASP A 96 15.721 -4.390 -3.400 1.00 0.00 C ATOM 1525 OD1 ASP A 96 16.488 -4.921 -2.571 1.00 0.00 O ATOM 1526 OD2 ASP A 96 14.812 -3.596 -3.081 1.00 0.00 O ATOM 0 H ASP A 96 17.740 -3.276 -3.726 1.00 0.00 H new ATOM 0 HA ASP A 96 17.301 -4.289 -6.452 1.00 0.00 H new ATOM 0 HB2 ASP A 96 14.937 -4.667 -5.373 1.00 0.00 H new ATOM 0 HB3 ASP A 96 16.252 -5.751 -4.965 1.00 0.00 H new ATOM 1531 N THR A 97 15.473 -1.861 -5.126 1.00 0.00 N ATOM 1532 CA THR A 97 14.733 -0.646 -5.452 1.00 0.00 C ATOM 1533 C THR A 97 13.809 -0.878 -6.648 1.00 0.00 C ATOM 1534 O THR A 97 13.589 -2.016 -7.062 1.00 0.00 O ATOM 1535 CB THR A 97 15.694 0.510 -5.747 1.00 0.00 C ATOM 1536 OG1 THR A 97 17.027 0.046 -5.852 1.00 0.00 O ATOM 1537 CG2 THR A 97 15.668 1.591 -4.688 1.00 0.00 C ATOM 0 H THR A 97 15.404 -2.145 -4.149 1.00 0.00 H new ATOM 0 HA THR A 97 14.123 -0.382 -4.588 1.00 0.00 H new ATOM 0 HB THR A 97 15.351 0.935 -6.690 1.00 0.00 H new ATOM 0 HG1 THR A 97 17.622 0.801 -6.042 1.00 0.00 H new ATOM 0 HG21 THR A 97 16.370 2.380 -4.956 1.00 0.00 H new ATOM 0 HG22 THR A 97 14.663 2.008 -4.618 1.00 0.00 H new ATOM 0 HG23 THR A 97 15.952 1.165 -3.726 1.00 0.00 H new ATOM 1545 N GLY A 98 13.271 0.208 -7.193 1.00 0.00 N ATOM 1546 CA GLY A 98 12.378 0.100 -8.331 1.00 0.00 C ATOM 1547 C GLY A 98 11.137 0.951 -8.164 1.00 0.00 C ATOM 1548 O GLY A 98 10.626 1.517 -9.131 1.00 0.00 O ATOM 0 H GLY A 98 13.437 1.160 -6.867 1.00 0.00 H new ATOM 0 HA2 GLY A 98 12.906 0.403 -9.235 1.00 0.00 H new ATOM 0 HA3 GLY A 98 12.087 -0.942 -8.465 1.00 0.00 H new ATOM 1552 N ILE A 99 10.658 1.048 -6.930 1.00 0.00 N ATOM 1553 CA ILE A 99 9.472 1.846 -6.634 1.00 0.00 C ATOM 1554 C ILE A 99 9.749 3.321 -6.851 1.00 0.00 C ATOM 1555 O ILE A 99 10.817 3.819 -6.493 1.00 0.00 O ATOM 1556 CB ILE A 99 8.993 1.676 -5.177 1.00 0.00 C ATOM 1557 CG1 ILE A 99 10.184 1.553 -4.223 1.00 0.00 C ATOM 1558 CG2 ILE A 99 8.071 0.478 -5.039 1.00 0.00 C ATOM 1559 CD1 ILE A 99 10.008 2.326 -2.934 1.00 0.00 C ATOM 0 H ILE A 99 11.070 0.586 -6.119 1.00 0.00 H new ATOM 0 HA ILE A 99 8.697 1.488 -7.312 1.00 0.00 H new ATOM 0 HB ILE A 99 8.428 2.568 -4.907 1.00 0.00 H new ATOM 0 HG12 ILE A 99 10.343 0.501 -3.987 1.00 0.00 H new ATOM 0 HG13 ILE A 99 11.083 1.906 -4.729 1.00 0.00 H new ATOM 0 HG21 ILE A 99 7.750 0.384 -4.002 1.00 0.00 H new ATOM 0 HG22 ILE A 99 7.199 0.615 -5.678 1.00 0.00 H new ATOM 0 HG23 ILE A 99 8.602 -0.426 -5.338 1.00 0.00 H new ATOM 0 HD11 ILE A 99 10.890 2.193 -2.307 1.00 0.00 H new ATOM 0 HD12 ILE A 99 9.879 3.385 -3.159 1.00 0.00 H new ATOM 0 HD13 ILE A 99 9.128 1.958 -2.406 1.00 0.00 H new ATOM 1571 N LYS A 100 8.779 4.027 -7.410 1.00 0.00 N ATOM 1572 CA LYS A 100 8.936 5.453 -7.632 1.00 0.00 C ATOM 1573 C LYS A 100 8.730 6.193 -6.315 1.00 0.00 C ATOM 1574 O LYS A 100 9.508 7.079 -5.962 1.00 0.00 O ATOM 1575 CB LYS A 100 7.956 5.956 -8.692 1.00 0.00 C ATOM 1576 CG LYS A 100 8.637 6.593 -9.894 1.00 0.00 C ATOM 1577 CD LYS A 100 9.287 7.918 -9.527 1.00 0.00 C ATOM 1578 CE LYS A 100 10.804 7.825 -9.557 1.00 0.00 C ATOM 1579 NZ LYS A 100 11.447 9.083 -9.089 1.00 0.00 N ATOM 0 H LYS A 100 7.885 3.641 -7.715 1.00 0.00 H new ATOM 0 HA LYS A 100 9.944 5.644 -8.001 1.00 0.00 H new ATOM 0 HB2 LYS A 100 7.341 5.122 -9.032 1.00 0.00 H new ATOM 0 HB3 LYS A 100 7.283 6.683 -8.238 1.00 0.00 H new ATOM 0 HG2 LYS A 100 9.392 5.913 -10.289 1.00 0.00 H new ATOM 0 HG3 LYS A 100 7.906 6.752 -10.686 1.00 0.00 H new ATOM 0 HD2 LYS A 100 8.956 8.691 -10.221 1.00 0.00 H new ATOM 0 HD3 LYS A 100 8.960 8.221 -8.532 1.00 0.00 H new ATOM 0 HE2 LYS A 100 11.129 6.996 -8.929 1.00 0.00 H new ATOM 0 HE3 LYS A 100 11.134 7.605 -10.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 12.481 8.978 -9.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 11.157 9.870 -9.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 11.153 9.280 -8.111 1.00 0.00 H new ATOM 1593 N ASN A 101 7.685 5.810 -5.582 1.00 0.00 N ATOM 1594 CA ASN A 101 7.395 6.428 -4.295 1.00 0.00 C ATOM 1595 C ASN A 101 6.621 5.485 -3.368 1.00 0.00 C ATOM 1596 O ASN A 101 5.538 5.009 -3.709 1.00 0.00 O ATOM 1597 CB ASN A 101 6.602 7.722 -4.500 1.00 0.00 C ATOM 1598 CG ASN A 101 7.205 8.897 -3.755 1.00 0.00 C ATOM 1599 OD1 ASN A 101 7.509 9.933 -4.347 1.00 0.00 O ATOM 1600 ND2 ASN A 101 7.384 8.741 -2.448 1.00 0.00 N ATOM 0 H ASN A 101 7.030 5.078 -5.858 1.00 0.00 H new ATOM 0 HA ASN A 101 8.349 6.653 -3.818 1.00 0.00 H new ATOM 0 HB2 ASN A 101 6.560 7.954 -5.564 1.00 0.00 H new ATOM 0 HB3 ASN A 101 5.575 7.572 -4.166 1.00 0.00 H new ATOM 0 HD21 ASN A 101 7.788 9.497 -1.895 1.00 0.00 H new ATOM 0 HD22 ASN A 101 7.118 7.865 -1.998 1.00 0.00 H new ATOM 1607 N ILE A 102 7.175 5.253 -2.179 1.00 0.00 N ATOM 1608 CA ILE A 102 6.536 4.407 -1.169 1.00 0.00 C ATOM 1609 C ILE A 102 6.018 5.285 -0.030 1.00 0.00 C ATOM 1610 O ILE A 102 6.791 5.981 0.625 1.00 0.00 O ATOM 1611 CB ILE A 102 7.506 3.330 -0.610 1.00 0.00 C ATOM 1612 CG1 ILE A 102 6.925 2.661 0.642 1.00 0.00 C ATOM 1613 CG2 ILE A 102 8.868 3.933 -0.296 1.00 0.00 C ATOM 1614 CD1 ILE A 102 5.504 2.174 0.472 1.00 0.00 C ATOM 0 H ILE A 102 8.072 5.642 -1.889 1.00 0.00 H new ATOM 0 HA ILE A 102 5.708 3.881 -1.645 1.00 0.00 H new ATOM 0 HB ILE A 102 7.632 2.570 -1.381 1.00 0.00 H new ATOM 0 HG12 ILE A 102 7.557 1.817 0.918 1.00 0.00 H new ATOM 0 HG13 ILE A 102 6.960 3.369 1.470 1.00 0.00 H new ATOM 0 HG21 ILE A 102 9.528 3.158 0.094 1.00 0.00 H new ATOM 0 HG22 ILE A 102 9.298 4.353 -1.205 1.00 0.00 H new ATOM 0 HG23 ILE A 102 8.754 4.721 0.449 1.00 0.00 H new ATOM 0 HD11 ILE A 102 5.164 1.713 1.399 1.00 0.00 H new ATOM 0 HD12 ILE A 102 4.857 3.017 0.227 1.00 0.00 H new ATOM 0 HD13 ILE A 102 5.465 1.440 -0.333 1.00 0.00 H new ATOM 1626 N MET A 103 4.702 5.290 0.172 1.00 0.00 N ATOM 1627 CA MET A 103 4.112 6.139 1.203 1.00 0.00 C ATOM 1628 C MET A 103 2.991 5.447 1.975 1.00 0.00 C ATOM 1629 O MET A 103 2.528 4.373 1.603 1.00 0.00 O ATOM 1630 CB MET A 103 3.562 7.411 0.560 1.00 0.00 C ATOM 1631 CG MET A 103 4.513 8.059 -0.437 1.00 0.00 C ATOM 1632 SD MET A 103 3.658 9.103 -1.633 1.00 0.00 S ATOM 1633 CE MET A 103 4.775 10.500 -1.722 1.00 0.00 C ATOM 0 H MET A 103 4.035 4.726 -0.354 1.00 0.00 H new ATOM 0 HA MET A 103 4.903 6.371 1.916 1.00 0.00 H new ATOM 0 HB2 MET A 103 2.626 7.175 0.054 1.00 0.00 H new ATOM 0 HB3 MET A 103 3.328 8.131 1.344 1.00 0.00 H new ATOM 0 HG2 MET A 103 5.247 8.657 0.103 1.00 0.00 H new ATOM 0 HG3 MET A 103 5.063 7.281 -0.967 1.00 0.00 H new ATOM 0 HE1 MET A 103 4.260 11.400 -1.386 1.00 0.00 H new ATOM 0 HE2 MET A 103 5.639 10.316 -1.083 1.00 0.00 H new ATOM 0 HE3 MET A 103 5.107 10.635 -2.751 1.00 0.00 H new ATOM 1643 N ILE A 104 2.550 6.100 3.054 1.00 0.00 N ATOM 1644 CA ILE A 104 1.468 5.575 3.874 1.00 0.00 C ATOM 1645 C ILE A 104 0.396 6.652 4.091 1.00 0.00 C ATOM 1646 O ILE A 104 0.685 7.778 4.474 1.00 0.00 O ATOM 1647 CB ILE A 104 1.991 5.013 5.220 1.00 0.00 C ATOM 1648 CG1 ILE A 104 0.928 4.136 5.887 1.00 0.00 C ATOM 1649 CG2 ILE A 104 2.446 6.118 6.158 1.00 0.00 C ATOM 1650 CD1 ILE A 104 -0.280 4.903 6.372 1.00 0.00 C ATOM 0 H ILE A 104 2.928 6.991 3.375 1.00 0.00 H new ATOM 0 HA ILE A 104 1.012 4.741 3.341 1.00 0.00 H new ATOM 0 HB ILE A 104 2.863 4.397 5.000 1.00 0.00 H new ATOM 0 HG12 ILE A 104 0.602 3.374 5.179 1.00 0.00 H new ATOM 0 HG13 ILE A 104 1.378 3.614 6.731 1.00 0.00 H new ATOM 0 HG21 ILE A 104 2.805 5.680 7.089 1.00 0.00 H new ATOM 0 HG22 ILE A 104 3.251 6.684 5.690 1.00 0.00 H new ATOM 0 HG23 ILE A 104 1.609 6.784 6.369 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -0.988 4.214 6.832 1.00 0.00 H new ATOM 0 HD12 ILE A 104 0.032 5.647 7.105 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -0.756 5.403 5.529 1.00 0.00 H new ATOM 1662 N LEU A 105 -0.850 6.291 3.807 1.00 0.00 N ATOM 1663 CA LEU A 105 -1.973 7.216 3.933 1.00 0.00 C ATOM 1664 C LEU A 105 -2.446 7.347 5.378 1.00 0.00 C ATOM 1665 O LEU A 105 -2.538 6.362 6.107 1.00 0.00 O ATOM 1666 CB LEU A 105 -3.127 6.745 3.050 1.00 0.00 C ATOM 1667 CG LEU A 105 -2.890 6.785 1.537 1.00 0.00 C ATOM 1668 CD1 LEU A 105 -4.137 7.270 0.819 1.00 0.00 C ATOM 1669 CD2 LEU A 105 -1.695 7.660 1.184 1.00 0.00 C ATOM 0 H LEU A 105 -1.110 5.359 3.486 1.00 0.00 H new ATOM 0 HA LEU A 105 -1.632 8.199 3.608 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.375 5.721 3.330 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -4.001 7.357 3.275 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.667 5.771 1.206 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -3.953 7.293 -0.255 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -4.965 6.594 1.031 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -4.390 8.272 1.165 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.555 7.666 0.103 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -1.873 8.677 1.533 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -0.800 7.264 1.663 1.00 0.00 H new ATOM 1681 N GLU A 106 -2.749 8.578 5.784 1.00 0.00 N ATOM 1682 CA GLU A 106 -3.214 8.845 7.142 1.00 0.00 C ATOM 1683 C GLU A 106 -4.731 8.679 7.258 1.00 0.00 C ATOM 1684 O GLU A 106 -5.247 8.385 8.336 1.00 0.00 O ATOM 1685 CB GLU A 106 -2.810 10.257 7.569 1.00 0.00 C ATOM 1686 CG GLU A 106 -1.399 10.641 7.147 1.00 0.00 C ATOM 1687 CD GLU A 106 -0.619 11.313 8.260 1.00 0.00 C ATOM 1688 OE1 GLU A 106 -0.886 11.008 9.441 1.00 0.00 O ATOM 1689 OE2 GLU A 106 0.261 12.144 7.951 1.00 0.00 O ATOM 0 H GLU A 106 -2.681 9.406 5.192 1.00 0.00 H new ATOM 0 HA GLU A 106 -2.744 8.118 7.804 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -3.515 10.972 7.144 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -2.890 10.337 8.653 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -0.865 9.748 6.823 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -1.450 11.311 6.289 1.00 0.00 H new ATOM 1696 N ARG A 107 -5.440 8.871 6.147 1.00 0.00 N ATOM 1697 CA ARG A 107 -6.897 8.743 6.137 1.00 0.00 C ATOM 1698 C ARG A 107 -7.324 7.296 5.912 1.00 0.00 C ATOM 1699 O ARG A 107 -7.899 6.666 6.800 1.00 0.00 O ATOM 1700 CB ARG A 107 -7.501 9.638 5.054 1.00 0.00 C ATOM 1701 CG ARG A 107 -8.911 10.109 5.373 1.00 0.00 C ATOM 1702 CD ARG A 107 -8.950 10.936 6.649 1.00 0.00 C ATOM 1703 NE ARG A 107 -9.911 10.407 7.615 1.00 0.00 N ATOM 1704 CZ ARG A 107 -10.324 11.075 8.690 1.00 0.00 C ATOM 1705 NH1 ARG A 107 -9.865 12.295 8.938 1.00 0.00 N ATOM 1706 NH2 ARG A 107 -11.199 10.522 9.519 1.00 0.00 N ATOM 0 H ARG A 107 -5.031 9.115 5.245 1.00 0.00 H new ATOM 0 HA ARG A 107 -7.266 9.060 7.112 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -6.859 10.508 4.913 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -7.513 9.094 4.109 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -9.294 10.702 4.542 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -9.569 9.246 5.478 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -7.957 10.956 7.099 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -9.210 11.966 6.406 1.00 0.00 H new ATOM 0 HE ARG A 107 -10.287 9.472 7.456 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -9.192 12.726 8.304 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -10.185 12.802 9.763 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -11.556 9.585 9.333 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -11.515 11.034 10.343 1.00 0.00 H new ATOM 1720 N GLY A 108 -7.038 6.772 4.725 1.00 0.00 N ATOM 1721 CA GLY A 108 -7.402 5.401 4.422 1.00 0.00 C ATOM 1722 C GLY A 108 -8.893 5.171 4.387 1.00 0.00 C ATOM 1723 O GLY A 108 -9.559 5.482 3.400 1.00 0.00 O ATOM 0 H GLY A 108 -6.563 7.269 3.971 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -6.976 5.125 3.457 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -6.957 4.742 5.167 1.00 0.00 H new ATOM 1727 N PHE A 109 -9.416 4.611 5.469 1.00 0.00 N ATOM 1728 CA PHE A 109 -10.836 4.319 5.560 1.00 0.00 C ATOM 1729 C PHE A 109 -11.283 4.182 7.009 1.00 0.00 C ATOM 1730 O PHE A 109 -12.251 3.485 7.293 1.00 0.00 O ATOM 1731 CB PHE A 109 -11.153 3.030 4.803 1.00 0.00 C ATOM 1732 CG PHE A 109 -10.441 1.826 5.353 1.00 0.00 C ATOM 1733 CD1 PHE A 109 -9.111 1.591 5.043 1.00 0.00 C ATOM 1734 CD2 PHE A 109 -11.101 0.933 6.182 1.00 0.00 C ATOM 1735 CE1 PHE A 109 -8.453 0.488 5.550 1.00 0.00 C ATOM 1736 CE2 PHE A 109 -10.446 -0.172 6.692 1.00 0.00 C ATOM 1737 CZ PHE A 109 -9.121 -0.395 6.376 1.00 0.00 C ATOM 0 H PHE A 109 -8.877 4.351 6.295 1.00 0.00 H new ATOM 0 HA PHE A 109 -11.378 5.152 5.112 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -12.228 2.853 4.835 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -10.882 3.156 3.755 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -8.583 2.278 4.398 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -12.138 1.102 6.432 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -7.416 0.316 5.301 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -10.971 -0.861 7.338 1.00 0.00 H new ATOM 0 HZ PHE A 109 -8.608 -1.258 6.774 1.00 0.00 H new ATOM 1747 N ASN A 110 -10.584 4.837 7.929 1.00 0.00 N ATOM 1748 CA ASN A 110 -10.963 4.759 9.333 1.00 0.00 C ATOM 1749 C ASN A 110 -12.308 5.440 9.544 1.00 0.00 C ATOM 1750 O ASN A 110 -13.238 4.852 10.096 1.00 0.00 O ATOM 1751 CB ASN A 110 -9.893 5.404 10.217 1.00 0.00 C ATOM 1752 CG ASN A 110 -9.046 4.375 10.939 1.00 0.00 C ATOM 1753 OD1 ASN A 110 -7.907 4.111 10.554 1.00 0.00 O ATOM 1754 ND2 ASN A 110 -9.601 3.786 11.991 1.00 0.00 N ATOM 0 H ASN A 110 -9.768 5.417 7.733 1.00 0.00 H new ATOM 0 HA ASN A 110 -11.049 3.710 9.615 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -9.250 6.035 9.603 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -10.373 6.054 10.949 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -9.080 3.083 12.516 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -10.548 4.036 12.275 1.00 0.00 H new ATOM 1761 N GLY A 111 -12.408 6.675 9.068 1.00 0.00 N ATOM 1762 CA GLY A 111 -13.644 7.417 9.170 1.00 0.00 C ATOM 1763 C GLY A 111 -14.726 6.819 8.302 1.00 0.00 C ATOM 1764 O GLY A 111 -15.903 6.854 8.647 1.00 0.00 O ATOM 0 H GLY A 111 -11.647 7.177 8.610 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -13.976 7.431 10.208 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -13.472 8.453 8.876 1.00 0.00 H new ATOM 1768 N TRP A 112 -14.316 6.282 7.156 1.00 0.00 N ATOM 1769 CA TRP A 112 -15.246 5.677 6.211 1.00 0.00 C ATOM 1770 C TRP A 112 -15.875 4.410 6.788 1.00 0.00 C ATOM 1771 O TRP A 112 -17.088 4.286 6.827 1.00 0.00 O ATOM 1772 CB TRP A 112 -14.500 5.397 4.898 1.00 0.00 C ATOM 1773 CG TRP A 112 -15.038 4.252 4.100 1.00 0.00 C ATOM 1774 CD1 TRP A 112 -16.289 3.719 4.161 1.00 0.00 C ATOM 1775 CD2 TRP A 112 -14.330 3.509 3.109 1.00 0.00 C ATOM 1776 NE1 TRP A 112 -16.398 2.671 3.297 1.00 0.00 N ATOM 1777 CE2 TRP A 112 -15.207 2.523 2.624 1.00 0.00 C ATOM 1778 CE3 TRP A 112 -13.036 3.581 2.591 1.00 0.00 C ATOM 1779 CZ2 TRP A 112 -14.823 1.613 1.640 1.00 0.00 C ATOM 1780 CZ3 TRP A 112 -12.659 2.683 1.616 1.00 0.00 C ATOM 1781 CH2 TRP A 112 -13.550 1.711 1.150 1.00 0.00 C ATOM 0 H TRP A 112 -13.340 6.254 6.860 1.00 0.00 H new ATOM 0 HA TRP A 112 -16.068 6.365 6.013 1.00 0.00 H new ATOM 0 HB2 TRP A 112 -14.529 6.296 4.282 1.00 0.00 H new ATOM 0 HB3 TRP A 112 -13.452 5.201 5.127 1.00 0.00 H new ATOM 0 HD1 TRP A 112 -17.082 4.076 4.802 1.00 0.00 H new ATOM 0 HE1 TRP A 112 -17.227 2.091 3.170 1.00 0.00 H new ATOM 0 HE3 TRP A 112 -12.342 4.328 2.948 1.00 0.00 H new ATOM 0 HZ2 TRP A 112 -15.506 0.858 1.278 1.00 0.00 H new ATOM 0 HZ3 TRP A 112 -11.661 2.731 1.206 1.00 0.00 H new ATOM 0 HH2 TRP A 112 -13.225 1.021 0.385 1.00 0.00 H new ATOM 1792 N GLU A 113 -15.067 3.483 7.257 1.00 0.00 N ATOM 1793 CA GLU A 113 -15.608 2.261 7.830 1.00 0.00 C ATOM 1794 C GLU A 113 -16.366 2.588 9.109 1.00 0.00 C ATOM 1795 O GLU A 113 -17.492 2.136 9.319 1.00 0.00 O ATOM 1796 CB GLU A 113 -14.493 1.253 8.112 1.00 0.00 C ATOM 1797 CG GLU A 113 -14.996 -0.077 8.648 1.00 0.00 C ATOM 1798 CD GLU A 113 -15.730 -0.885 7.596 1.00 0.00 C ATOM 1799 OE1 GLU A 113 -15.057 -1.579 6.805 1.00 0.00 O ATOM 1800 OE2 GLU A 113 -16.977 -0.825 7.563 1.00 0.00 O ATOM 0 H GLU A 113 -14.049 3.546 7.255 1.00 0.00 H new ATOM 0 HA GLU A 113 -16.294 1.810 7.113 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -13.933 1.077 7.193 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -13.797 1.685 8.831 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -14.153 -0.656 9.024 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -15.661 0.103 9.493 1.00 0.00 H new ATOM 1807 N ALA A 114 -15.728 3.384 9.959 1.00 0.00 N ATOM 1808 CA ALA A 114 -16.309 3.796 11.228 1.00 0.00 C ATOM 1809 C ALA A 114 -17.522 4.715 11.056 1.00 0.00 C ATOM 1810 O ALA A 114 -18.555 4.507 11.693 1.00 0.00 O ATOM 1811 CB ALA A 114 -15.254 4.486 12.076 1.00 0.00 C ATOM 0 H ALA A 114 -14.796 3.760 9.787 1.00 0.00 H new ATOM 0 HA ALA A 114 -16.662 2.893 11.727 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -15.694 4.793 13.025 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -14.430 3.797 12.263 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -14.880 5.364 11.549 1.00 0.00 H new ATOM 1817 N SER A 115 -17.383 5.758 10.233 1.00 0.00 N ATOM 1818 CA SER A 115 -18.474 6.723 10.043 1.00 0.00 C ATOM 1819 C SER A 115 -19.078 6.703 8.633 1.00 0.00 C ATOM 1820 O SER A 115 -20.299 6.737 8.482 1.00 0.00 O ATOM 1821 CB SER A 115 -17.980 8.134 10.369 1.00 0.00 C ATOM 1822 OG SER A 115 -17.389 8.745 9.234 1.00 0.00 O ATOM 0 H SER A 115 -16.540 5.956 9.694 1.00 0.00 H new ATOM 0 HA SER A 115 -19.269 6.424 10.726 1.00 0.00 H new ATOM 0 HB2 SER A 115 -18.814 8.742 10.720 1.00 0.00 H new ATOM 0 HB3 SER A 115 -17.254 8.090 11.181 1.00 0.00 H new ATOM 0 HG SER A 115 -16.526 8.320 9.046 1.00 0.00 H new ATOM 1828 N GLY A 116 -18.233 6.672 7.605 1.00 0.00 N ATOM 1829 CA GLY A 116 -18.734 6.675 6.233 1.00 0.00 C ATOM 1830 C GLY A 116 -19.042 5.285 5.711 1.00 0.00 C ATOM 1831 O GLY A 116 -18.925 5.027 4.514 1.00 0.00 O ATOM 0 H GLY A 116 -17.217 6.645 7.692 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -19.637 7.284 6.183 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -17.996 7.146 5.584 1.00 0.00 H new ATOM 1835 N LYS A 117 -19.417 4.396 6.633 1.00 0.00 N ATOM 1836 CA LYS A 117 -19.741 2.992 6.347 1.00 0.00 C ATOM 1837 C LYS A 117 -19.551 2.572 4.885 1.00 0.00 C ATOM 1838 O LYS A 117 -18.667 1.780 4.585 1.00 0.00 O ATOM 1839 CB LYS A 117 -21.174 2.676 6.783 1.00 0.00 C ATOM 1840 CG LYS A 117 -21.740 1.438 6.107 1.00 0.00 C ATOM 1841 CD LYS A 117 -23.036 0.987 6.760 1.00 0.00 C ATOM 1842 CE LYS A 117 -22.799 -0.162 7.727 1.00 0.00 C ATOM 1843 NZ LYS A 117 -23.829 -0.206 8.802 1.00 0.00 N ATOM 0 H LYS A 117 -19.507 4.634 7.621 1.00 0.00 H new ATOM 0 HA LYS A 117 -19.020 2.413 6.925 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -21.197 2.536 7.864 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -21.813 3.530 6.559 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -21.917 1.648 5.052 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -21.009 0.631 6.153 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -23.488 1.824 7.291 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -23.744 0.678 5.991 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -22.806 -1.104 7.179 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -21.811 -0.061 8.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -23.631 -1.003 9.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -23.806 0.683 9.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -24.770 -0.328 8.376 1.00 0.00 H new ATOM 1857 N PRO A 118 -20.390 3.088 3.965 1.00 0.00 N ATOM 1858 CA PRO A 118 -20.368 2.778 2.545 1.00 0.00 C ATOM 1859 C PRO A 118 -19.118 2.054 2.039 1.00 0.00 C ATOM 1860 O PRO A 118 -18.280 2.631 1.345 1.00 0.00 O ATOM 1861 CB PRO A 118 -20.521 4.175 1.966 1.00 0.00 C ATOM 1862 CG PRO A 118 -21.492 4.843 2.907 1.00 0.00 C ATOM 1863 CD PRO A 118 -21.464 4.053 4.210 1.00 0.00 C ATOM 0 HA PRO A 118 -21.133 2.058 2.255 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -19.568 4.702 1.933 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -20.905 4.147 0.946 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -21.210 5.882 3.079 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -22.496 4.852 2.483 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -21.250 4.691 5.068 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -22.416 3.561 4.408 1.00 0.00 H new ATOM 1871 N VAL A 119 -19.043 0.760 2.363 1.00 0.00 N ATOM 1872 CA VAL A 119 -17.950 -0.106 1.923 1.00 0.00 C ATOM 1873 C VAL A 119 -18.411 -0.831 0.659 1.00 0.00 C ATOM 1874 O VAL A 119 -19.608 -1.070 0.505 1.00 0.00 O ATOM 1875 CB VAL A 119 -17.498 -1.133 3.010 1.00 0.00 C ATOM 1876 CG1 VAL A 119 -17.898 -0.695 4.411 1.00 0.00 C ATOM 1877 CG2 VAL A 119 -18.037 -2.529 2.721 1.00 0.00 C ATOM 0 H VAL A 119 -19.739 0.285 2.938 1.00 0.00 H new ATOM 0 HA VAL A 119 -17.076 0.515 1.728 1.00 0.00 H new ATOM 0 HB VAL A 119 -16.409 -1.168 2.967 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -17.564 -1.439 5.134 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -17.435 0.265 4.638 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -18.982 -0.597 4.466 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -17.702 -3.216 3.498 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -19.127 -2.502 2.705 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -17.668 -2.868 1.753 1.00 0.00 H new ATOM 1887 N CYS A 120 -17.504 -1.177 -0.259 1.00 0.00 N ATOM 1888 CA CYS A 120 -17.946 -1.857 -1.476 1.00 0.00 C ATOM 1889 C CYS A 120 -18.585 -3.197 -1.108 1.00 0.00 C ATOM 1890 O CYS A 120 -18.214 -3.813 -0.108 1.00 0.00 O ATOM 1891 CB CYS A 120 -16.785 -2.034 -2.465 1.00 0.00 C ATOM 1892 SG CYS A 120 -17.303 -2.301 -4.174 1.00 0.00 S ATOM 0 H CYS A 120 -16.501 -1.006 -0.189 1.00 0.00 H new ATOM 0 HA CYS A 120 -18.694 -1.242 -1.977 1.00 0.00 H new ATOM 0 HB2 CYS A 120 -16.149 -1.150 -2.424 1.00 0.00 H new ATOM 0 HB3 CYS A 120 -16.176 -2.880 -2.145 1.00 0.00 H new ATOM 0 HG CYS A 120 -16.485 -3.131 -4.751 1.00 0.00 H new ATOM 1897 N ARG A 121 -19.567 -3.635 -1.887 1.00 0.00 N ATOM 1898 CA ARG A 121 -20.255 -4.890 -1.591 1.00 0.00 C ATOM 1899 C ARG A 121 -20.971 -5.440 -2.818 1.00 0.00 C ATOM 1900 O ARG A 121 -22.181 -5.663 -2.798 1.00 0.00 O ATOM 1901 CB ARG A 121 -21.259 -4.688 -0.451 1.00 0.00 C ATOM 1902 CG ARG A 121 -21.916 -3.315 -0.442 1.00 0.00 C ATOM 1903 CD ARG A 121 -23.297 -3.345 -1.079 1.00 0.00 C ATOM 1904 NE ARG A 121 -24.352 -3.560 -0.092 1.00 0.00 N ATOM 1905 CZ ARG A 121 -25.632 -3.253 -0.297 1.00 0.00 C ATOM 1906 NH1 ARG A 121 -26.017 -2.716 -1.448 1.00 0.00 N ATOM 1907 NH2 ARG A 121 -26.529 -3.484 0.653 1.00 0.00 N ATOM 0 H ARG A 121 -19.903 -3.149 -2.718 1.00 0.00 H new ATOM 0 HA ARG A 121 -19.501 -5.616 -1.287 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -22.035 -5.450 -0.524 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -20.749 -4.842 0.500 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -21.997 -2.958 0.585 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -21.284 -2.606 -0.977 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -23.476 -2.405 -1.601 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -23.334 -4.137 -1.827 1.00 0.00 H new ATOM 0 HE ARG A 121 -24.094 -3.969 0.806 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -25.331 -2.536 -2.182 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -26.998 -2.483 -1.599 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -26.238 -3.896 1.539 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -27.509 -3.249 0.497 1.00 0.00 H new ATOM 1921 N CYS A 122 -20.218 -5.664 -3.881 1.00 0.00 N ATOM 1922 CA CYS A 122 -20.786 -6.193 -5.115 1.00 0.00 C ATOM 1923 C CYS A 122 -20.810 -7.718 -5.096 1.00 0.00 C ATOM 1924 O CYS A 122 -20.577 -8.344 -4.062 1.00 0.00 O ATOM 1925 CB CYS A 122 -19.991 -5.709 -6.331 1.00 0.00 C ATOM 1926 SG CYS A 122 -19.214 -4.092 -6.122 1.00 0.00 S ATOM 0 H CYS A 122 -19.214 -5.489 -3.918 1.00 0.00 H new ATOM 0 HA CYS A 122 -21.809 -5.825 -5.189 1.00 0.00 H new ATOM 0 HB2 CYS A 122 -19.218 -6.443 -6.559 1.00 0.00 H new ATOM 0 HB3 CYS A 122 -20.657 -5.669 -7.193 1.00 0.00 H new ATOM 0 HG CYS A 122 -18.466 -4.104 -5.059 1.00 0.00 H new ATOM 1931 N ALA A 123 -21.083 -8.301 -6.255 1.00 0.00 N ATOM 1932 CA ALA A 123 -21.131 -9.748 -6.405 1.00 0.00 C ATOM 1933 C ALA A 123 -20.816 -10.125 -7.846 1.00 0.00 C ATOM 1934 O ALA A 123 -21.293 -11.136 -8.360 1.00 0.00 O ATOM 1935 CB ALA A 123 -22.496 -10.282 -5.997 1.00 0.00 C ATOM 0 H ALA A 123 -21.277 -7.786 -7.114 1.00 0.00 H new ATOM 0 HA ALA A 123 -20.384 -10.198 -5.751 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -22.513 -11.365 -6.116 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -22.689 -10.028 -4.955 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -23.265 -9.836 -6.628 1.00 0.00 H new ATOM 1941 N GLU A 124 -20.015 -9.283 -8.490 1.00 0.00 N ATOM 1942 CA GLU A 124 -19.628 -9.488 -9.876 1.00 0.00 C ATOM 1943 C GLU A 124 -18.389 -10.377 -9.984 1.00 0.00 C ATOM 1944 O GLU A 124 -18.455 -11.583 -9.748 1.00 0.00 O ATOM 1945 CB GLU A 124 -19.400 -8.131 -10.548 1.00 0.00 C ATOM 1946 CG GLU A 124 -20.681 -7.345 -10.779 1.00 0.00 C ATOM 1947 CD GLU A 124 -21.100 -6.540 -9.565 1.00 0.00 C ATOM 1948 OE1 GLU A 124 -21.559 -7.151 -8.578 1.00 0.00 O ATOM 1949 OE2 GLU A 124 -20.970 -5.298 -9.601 1.00 0.00 O ATOM 0 H GLU A 124 -19.619 -8.444 -8.066 1.00 0.00 H new ATOM 0 HA GLU A 124 -20.435 -10.007 -10.393 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -18.726 -7.538 -9.931 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -18.902 -8.288 -11.505 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -20.542 -6.673 -11.626 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -21.482 -8.034 -11.047 1.00 0.00 H new ATOM 1956 N VAL A 125 -17.269 -9.769 -10.338 1.00 0.00 N ATOM 1957 CA VAL A 125 -15.999 -10.464 -10.487 1.00 0.00 C ATOM 1958 C VAL A 125 -14.934 -9.485 -10.973 1.00 0.00 C ATOM 1959 O VAL A 125 -13.804 -9.505 -10.486 1.00 0.00 O ATOM 1960 CB VAL A 125 -16.055 -11.691 -11.438 1.00 0.00 C ATOM 1961 CG1 VAL A 125 -16.285 -12.968 -10.641 1.00 0.00 C ATOM 1962 CG2 VAL A 125 -17.116 -11.543 -12.524 1.00 0.00 C ATOM 0 H VAL A 125 -17.214 -8.769 -10.532 1.00 0.00 H new ATOM 0 HA VAL A 125 -15.748 -10.856 -9.501 1.00 0.00 H new ATOM 0 HB VAL A 125 -15.090 -11.748 -11.942 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -16.322 -13.819 -11.321 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -15.469 -13.106 -9.931 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -17.228 -12.894 -10.100 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -17.112 -12.428 -13.160 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -18.097 -11.433 -12.062 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -16.898 -10.662 -13.127 1.00 0.00 H new ATOM 1972 N PRO A 126 -15.281 -8.580 -11.918 1.00 0.00 N ATOM 1973 CA PRO A 126 -14.363 -7.583 -12.421 1.00 0.00 C ATOM 1974 C PRO A 126 -14.444 -6.301 -11.598 1.00 0.00 C ATOM 1975 O PRO A 126 -13.657 -5.377 -11.804 1.00 0.00 O ATOM 1976 CB PRO A 126 -14.854 -7.337 -13.856 1.00 0.00 C ATOM 1977 CG PRO A 126 -16.211 -7.976 -13.950 1.00 0.00 C ATOM 1978 CD PRO A 126 -16.587 -8.412 -12.560 1.00 0.00 C ATOM 0 HA PRO A 126 -13.322 -7.904 -12.373 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -14.911 -6.270 -14.071 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -14.168 -7.772 -14.582 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -16.943 -7.271 -14.345 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -16.190 -8.828 -14.629 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -17.197 -7.665 -12.051 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -17.159 -9.340 -12.566 1.00 0.00 H new ATOM 1986 N CYS A 127 -15.412 -6.250 -10.663 1.00 0.00 N ATOM 1987 CA CYS A 127 -15.602 -5.075 -9.801 1.00 0.00 C ATOM 1988 C CYS A 127 -14.271 -4.388 -9.472 1.00 0.00 C ATOM 1989 O CYS A 127 -14.220 -3.165 -9.363 1.00 0.00 O ATOM 1990 CB CYS A 127 -16.315 -5.483 -8.494 1.00 0.00 C ATOM 1991 SG CYS A 127 -16.072 -4.343 -7.108 1.00 0.00 S ATOM 0 H CYS A 127 -16.071 -7.008 -10.488 1.00 0.00 H new ATOM 0 HA CYS A 127 -16.220 -4.364 -10.349 1.00 0.00 H new ATOM 0 HB2 CYS A 127 -17.383 -5.570 -8.692 1.00 0.00 H new ATOM 0 HB3 CYS A 127 -15.964 -6.472 -8.199 1.00 0.00 H new ATOM 0 HG CYS A 127 -17.224 -4.040 -6.588 1.00 0.00 H new ATOM 1996 N LYS A 128 -13.222 -5.201 -9.291 1.00 0.00 N ATOM 1997 CA LYS A 128 -11.872 -4.740 -8.938 1.00 0.00 C ATOM 1998 C LYS A 128 -11.496 -5.365 -7.620 1.00 0.00 C ATOM 1999 O LYS A 128 -12.264 -6.159 -7.077 1.00 0.00 O ATOM 2000 CB LYS A 128 -11.778 -3.207 -8.782 1.00 0.00 C ATOM 2001 CG LYS A 128 -12.326 -2.654 -7.468 1.00 0.00 C ATOM 2002 CD LYS A 128 -11.839 -1.231 -7.213 1.00 0.00 C ATOM 2003 CE LYS A 128 -10.327 -1.108 -7.355 1.00 0.00 C ATOM 2004 NZ LYS A 128 -9.938 -0.518 -8.665 1.00 0.00 N ATOM 0 H LYS A 128 -13.288 -6.214 -9.387 1.00 0.00 H new ATOM 0 HA LYS A 128 -11.203 -5.031 -9.748 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -10.733 -2.911 -8.875 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -12.316 -2.740 -9.607 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -13.416 -2.668 -7.493 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -12.018 -3.298 -6.644 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -12.325 -0.551 -7.913 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -12.135 -0.921 -6.211 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -9.936 -0.489 -6.548 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -9.871 -2.093 -7.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -8.975 -0.824 -8.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -10.601 -0.837 -9.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -9.965 0.520 -8.600 1.00 0.00 H new ATOM 2018 N GLY A 129 -10.370 -4.938 -7.053 1.00 0.00 N ATOM 2019 CA GLY A 129 -10.029 -5.418 -5.733 1.00 0.00 C ATOM 2020 C GLY A 129 -11.251 -5.175 -4.896 1.00 0.00 C ATOM 2021 O GLY A 129 -12.104 -6.049 -4.744 1.00 0.00 O ATOM 0 H GLY A 129 -9.707 -4.287 -7.473 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -9.771 -6.477 -5.754 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -9.166 -4.887 -5.332 1.00 0.00 H new