USER MOD reduce.3.24.130724 H: found=0, std=0, add=1026, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 1024 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 52 HIS : no HD1:sc= -21.9! C(o=-23!,f=-31!) USER MOD Set 1.2: A 79 THR OG1 : rot 134:sc= -1.47! USER MOD Set 2.1: A 44 MET CE :methyl -105:sc= -4.04! (180deg=-3.16!) USER MOD Set 2.2: A 47 MET CE :methyl 142:sc= -3.59! (180deg=-6.17!) USER MOD Set 3.1: A 42 GLN : amide:sc= 0.599 K(o=1.3,f=-4.4!) USER MOD Set 3.2: A 45 LYS NZ :NH3+ -122:sc= 0.678 (180deg=0) USER MOD Set 4.1: A 8 LYS NZ :NH3+ 137:sc= 0.0394 (180deg=0) USER MOD Set 4.2: A 33 GLN :FLIP amide:sc= -1.08 F(o=-1.8,f=-1) USER MOD Single : A 1 MET CE :methyl 146:sc= -0.375 (180deg=-1.58!) USER MOD Single : A 1 MET N :NH3+ -166:sc= 0 (180deg=-0.163) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -0.336 K(o=-0.34,f=-2.9!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot -168:sc= -0.367 USER MOD Single : A 27 GLN :FLIP amide:sc= -0.152 F(o=-1.1,f=-0.15) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.192 X(o=-0.19,f=-0.52) USER MOD Single : A 50 ASN : amide:sc= -5.09! C(o=-5.1!,f=-9.1!) USER MOD Single : A 53 HIS : no HD1:sc= -2.54 K(o=-2.5,f=-4.7) USER MOD Single : A 57 SER OG : rot 180:sc= -0.599 USER MOD Single : A 60 ASN : amide:sc= -1.69! C(o=-1.7!,f=-1.5!) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl -165:sc= -0.0674 (180deg=-0.425) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 ASN : amide:sc= -0.194 K(o=-0.19,f=-3.7!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ -113:sc= -0.329 (180deg=-2.97!) USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.28 USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 GLN : amide:sc= -0.0853 X(o=-0.085,f=0) USER MOD Single : A 98 LYS NZ :NH3+ -124:sc= 0 (180deg=-0.397) USER MOD Single : A 105 ASN : amide:sc= -3.23! C(o=-3.2!,f=-4.2!) USER MOD Single : A 106 ASN : amide:sc= -0.394 K(o=-0.39,f=-3.1!) USER MOD Single : A 110 LYS NZ :NH3+ 143:sc= -0.322 (180deg=-1.22) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 LYS NZ :NH3+ -162:sc=-0.00925 (180deg=-0.205) USER MOD Single : A 117 MET CE :methyl -147:sc= -0.708 (180deg=-2.65!) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.528 19.121 9.975 1.00 0.00 N ATOM 2 CA MET A 1 13.337 18.192 9.205 1.00 0.00 C ATOM 3 C MET A 1 12.920 18.191 7.733 1.00 0.00 C ATOM 4 O MET A 1 13.465 18.947 6.929 1.00 0.00 O ATOM 5 CB MET A 1 13.182 16.782 9.780 1.00 0.00 C ATOM 6 CG MET A 1 13.637 16.733 11.240 1.00 0.00 C ATOM 7 SD MET A 1 13.938 15.043 11.729 1.00 0.00 S ATOM 8 CE MET A 1 15.332 14.660 10.680 1.00 0.00 C ATOM 0 H1 MET A 1 12.972 19.283 10.901 1.00 0.00 H new ATOM 0 H2 MET A 1 12.455 20.024 9.464 1.00 0.00 H new ATOM 0 H3 MET A 1 11.577 18.722 10.112 1.00 0.00 H new ATOM 0 HA MET A 1 14.378 18.508 9.268 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.140 16.469 9.709 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.767 16.078 9.189 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.544 17.324 11.367 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.876 17.176 11.882 1.00 0.00 H new ATOM 0 HE1 MET A 1 16.003 13.978 11.202 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.978 14.190 9.762 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.866 15.578 10.435 1.00 0.00 H new ATOM 18 N SER A 2 11.958 17.333 7.424 1.00 0.00 N ATOM 19 CA SER A 2 11.462 17.225 6.062 1.00 0.00 C ATOM 20 C SER A 2 9.943 17.036 6.072 1.00 0.00 C ATOM 21 O SER A 2 9.231 17.667 5.293 1.00 0.00 O ATOM 22 CB SER A 2 12.136 16.068 5.322 1.00 0.00 C ATOM 23 OG SER A 2 12.519 16.432 3.999 1.00 0.00 O ATOM 0 H SER A 2 11.509 16.707 8.093 1.00 0.00 H new ATOM 0 HA SER A 2 11.703 18.148 5.535 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.016 15.745 5.878 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.455 15.218 5.281 1.00 0.00 H new ATOM 0 HG SER A 2 12.947 15.667 3.560 1.00 0.00 H new ATOM 29 N LEU A 3 9.493 16.165 6.964 1.00 0.00 N ATOM 30 CA LEU A 3 8.072 15.886 7.086 1.00 0.00 C ATOM 31 C LEU A 3 7.747 15.549 8.542 1.00 0.00 C ATOM 32 O LEU A 3 8.138 14.495 9.042 1.00 0.00 O ATOM 33 CB LEU A 3 7.653 14.799 6.095 1.00 0.00 C ATOM 34 CG LEU A 3 6.560 15.186 5.096 1.00 0.00 C ATOM 35 CD1 LEU A 3 5.473 16.024 5.772 1.00 0.00 C ATOM 36 CD2 LEU A 3 7.155 15.895 3.878 1.00 0.00 C ATOM 0 H LEU A 3 10.087 15.644 7.609 1.00 0.00 H new ATOM 0 HA LEU A 3 7.486 16.767 6.824 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.535 14.486 5.535 1.00 0.00 H new ATOM 0 HB3 LEU A 3 7.310 13.932 6.660 1.00 0.00 H new ATOM 0 HG LEU A 3 6.087 14.272 4.736 1.00 0.00 H new ATOM 0 HD11 LEU A 3 4.708 16.286 5.041 1.00 0.00 H new ATOM 0 HD12 LEU A 3 5.021 15.449 6.580 1.00 0.00 H new ATOM 0 HD13 LEU A 3 5.915 16.934 6.177 1.00 0.00 H new ATOM 0 HD21 LEU A 3 6.357 16.159 3.184 1.00 0.00 H new ATOM 0 HD22 LEU A 3 7.670 16.800 4.200 1.00 0.00 H new ATOM 0 HD23 LEU A 3 7.863 15.232 3.381 1.00 0.00 H new ATOM 48 N ALA A 4 7.032 16.463 9.182 1.00 0.00 N ATOM 49 CA ALA A 4 6.649 16.276 10.570 1.00 0.00 C ATOM 50 C ALA A 4 5.862 14.971 10.707 1.00 0.00 C ATOM 51 O ALA A 4 5.981 14.271 11.711 1.00 0.00 O ATOM 52 CB ALA A 4 5.851 17.491 11.049 1.00 0.00 C ATOM 0 H ALA A 4 6.708 17.335 8.764 1.00 0.00 H new ATOM 0 HA ALA A 4 7.532 16.196 11.203 1.00 0.00 H new ATOM 0 HB1 ALA A 4 5.564 17.350 12.091 1.00 0.00 H new ATOM 0 HB2 ALA A 4 6.465 18.387 10.960 1.00 0.00 H new ATOM 0 HB3 ALA A 4 4.955 17.602 10.438 1.00 0.00 H new ATOM 58 N GLU A 5 5.074 14.683 9.681 1.00 0.00 N ATOM 59 CA GLU A 5 4.266 13.476 9.674 1.00 0.00 C ATOM 60 C GLU A 5 4.991 12.358 8.921 1.00 0.00 C ATOM 61 O GLU A 5 5.064 11.227 9.401 1.00 0.00 O ATOM 62 CB GLU A 5 2.888 13.741 9.066 1.00 0.00 C ATOM 63 CG GLU A 5 1.909 14.247 10.127 1.00 0.00 C ATOM 64 CD GLU A 5 0.606 14.731 9.485 1.00 0.00 C ATOM 65 OE1 GLU A 5 -0.029 13.903 8.797 1.00 0.00 O ATOM 66 OE2 GLU A 5 0.275 15.916 9.698 1.00 0.00 O ATOM 0 H GLU A 5 4.978 15.265 8.849 1.00 0.00 H new ATOM 0 HA GLU A 5 4.116 13.157 10.705 1.00 0.00 H new ATOM 0 HB2 GLU A 5 2.975 14.476 8.266 1.00 0.00 H new ATOM 0 HB3 GLU A 5 2.502 12.826 8.617 1.00 0.00 H new ATOM 0 HG2 GLU A 5 1.694 13.450 10.838 1.00 0.00 H new ATOM 0 HG3 GLU A 5 2.366 15.061 10.690 1.00 0.00 H new ATOM 73 N LYS A 6 5.508 12.712 7.754 1.00 0.00 N ATOM 74 CA LYS A 6 6.225 11.753 6.931 1.00 0.00 C ATOM 75 C LYS A 6 5.447 10.436 6.896 1.00 0.00 C ATOM 76 O LYS A 6 6.015 9.383 6.606 1.00 0.00 O ATOM 77 CB LYS A 6 7.668 11.602 7.417 1.00 0.00 C ATOM 78 CG LYS A 6 7.754 10.613 8.581 1.00 0.00 C ATOM 79 CD LYS A 6 9.211 10.289 8.917 1.00 0.00 C ATOM 80 CE LYS A 6 9.592 8.895 8.413 1.00 0.00 C ATOM 81 NZ LYS A 6 9.659 7.937 9.539 1.00 0.00 N ATOM 0 H LYS A 6 5.445 13.650 7.359 1.00 0.00 H new ATOM 0 HA LYS A 6 6.295 12.110 5.904 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.298 11.259 6.596 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.053 12.572 7.730 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.259 11.033 9.457 1.00 0.00 H new ATOM 0 HG3 LYS A 6 7.223 9.696 8.324 1.00 0.00 H new ATOM 0 HD2 LYS A 6 9.866 11.034 8.467 1.00 0.00 H new ATOM 0 HD3 LYS A 6 9.360 10.343 9.995 1.00 0.00 H new ATOM 0 HE2 LYS A 6 8.860 8.554 7.681 1.00 0.00 H new ATOM 0 HE3 LYS A 6 10.556 8.936 7.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 9.919 6.996 9.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 10.374 8.255 10.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 8.731 7.885 10.006 1.00 0.00 H new ATOM 95 N ILE A 7 4.160 10.537 7.195 1.00 0.00 N ATOM 96 CA ILE A 7 3.299 9.367 7.202 1.00 0.00 C ATOM 97 C ILE A 7 2.096 9.619 6.292 1.00 0.00 C ATOM 98 O ILE A 7 1.094 10.187 6.725 1.00 0.00 O ATOM 99 CB ILE A 7 2.918 8.991 8.635 1.00 0.00 C ATOM 100 CG1 ILE A 7 2.016 7.754 8.656 1.00 0.00 C ATOM 101 CG2 ILE A 7 2.282 10.176 9.363 1.00 0.00 C ATOM 102 CD1 ILE A 7 2.842 6.471 8.539 1.00 0.00 C ATOM 0 H ILE A 7 3.693 11.412 7.434 1.00 0.00 H new ATOM 0 HA ILE A 7 3.828 8.503 6.800 1.00 0.00 H new ATOM 0 HB ILE A 7 3.830 8.734 9.174 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.439 7.736 9.580 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.301 7.807 7.835 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.021 9.881 10.379 1.00 0.00 H new ATOM 0 HG22 ILE A 7 2.989 11.005 9.396 1.00 0.00 H new ATOM 0 HG23 ILE A 7 1.382 10.488 8.833 1.00 0.00 H new ATOM 0 HD11 ILE A 7 2.177 5.607 8.556 1.00 0.00 H new ATOM 0 HD12 ILE A 7 3.399 6.481 7.602 1.00 0.00 H new ATOM 0 HD13 ILE A 7 3.539 6.409 9.375 1.00 0.00 H new ATOM 114 N LYS A 8 2.234 9.186 5.048 1.00 0.00 N ATOM 115 CA LYS A 8 1.170 9.358 4.073 1.00 0.00 C ATOM 116 C LYS A 8 0.785 7.993 3.498 1.00 0.00 C ATOM 117 O LYS A 8 1.646 7.143 3.277 1.00 0.00 O ATOM 118 CB LYS A 8 1.578 10.379 3.009 1.00 0.00 C ATOM 119 CG LYS A 8 0.663 11.605 3.045 1.00 0.00 C ATOM 120 CD LYS A 8 1.422 12.869 2.634 1.00 0.00 C ATOM 121 CE LYS A 8 0.586 13.723 1.679 1.00 0.00 C ATOM 122 NZ LYS A 8 0.825 15.162 1.928 1.00 0.00 N ATOM 0 H LYS A 8 3.067 8.716 4.692 1.00 0.00 H new ATOM 0 HA LYS A 8 0.279 9.767 4.550 1.00 0.00 H new ATOM 0 HB2 LYS A 8 2.611 10.687 3.173 1.00 0.00 H new ATOM 0 HB3 LYS A 8 1.535 9.918 2.022 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.183 11.451 2.376 1.00 0.00 H new ATOM 0 HG3 LYS A 8 0.257 11.731 4.049 1.00 0.00 H new ATOM 0 HD2 LYS A 8 1.675 13.450 3.521 1.00 0.00 H new ATOM 0 HD3 LYS A 8 2.361 12.594 2.154 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.839 13.479 0.647 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.472 13.496 1.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 0.920 15.660 1.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 0.025 15.560 2.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 1.699 15.278 2.480 1.00 0.00 H new ATOM 136 N VAL A 9 -0.510 7.826 3.273 1.00 0.00 N ATOM 137 CA VAL A 9 -1.020 6.578 2.730 1.00 0.00 C ATOM 138 C VAL A 9 -1.363 6.775 1.252 1.00 0.00 C ATOM 139 O VAL A 9 -2.093 7.700 0.898 1.00 0.00 O ATOM 140 CB VAL A 9 -2.210 6.093 3.560 1.00 0.00 C ATOM 141 CG1 VAL A 9 -2.547 4.636 3.236 1.00 0.00 C ATOM 142 CG2 VAL A 9 -1.944 6.275 5.056 1.00 0.00 C ATOM 0 H VAL A 9 -1.221 8.534 3.457 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.262 5.797 2.788 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.074 6.703 3.296 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.396 4.316 3.840 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.799 4.547 2.179 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.686 4.005 3.458 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.805 5.923 5.624 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.062 5.702 5.341 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.775 7.330 5.270 1.00 0.00 H new ATOM 152 N LEU A 10 -0.822 5.889 0.428 1.00 0.00 N ATOM 153 CA LEU A 10 -1.061 5.952 -1.003 1.00 0.00 C ATOM 154 C LEU A 10 -1.945 4.775 -1.421 1.00 0.00 C ATOM 155 O LEU A 10 -1.548 3.619 -1.285 1.00 0.00 O ATOM 156 CB LEU A 10 0.263 6.029 -1.765 1.00 0.00 C ATOM 157 CG LEU A 10 0.242 5.499 -3.200 1.00 0.00 C ATOM 158 CD1 LEU A 10 0.865 4.104 -3.277 1.00 0.00 C ATOM 159 CD2 LEU A 10 -1.175 5.526 -3.775 1.00 0.00 C ATOM 0 H LEU A 10 -0.218 5.123 0.725 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.602 6.863 -1.259 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.586 7.070 -1.788 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.015 5.474 -1.204 1.00 0.00 H new ATOM 0 HG LEU A 10 0.851 6.159 -3.817 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.838 3.750 -4.307 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.899 4.148 -2.936 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.302 3.419 -2.643 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.161 5.144 -4.796 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.828 4.903 -3.164 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.548 6.550 -3.776 1.00 0.00 H new ATOM 171 N ILE A 11 -3.124 5.110 -1.921 1.00 0.00 N ATOM 172 CA ILE A 11 -4.067 4.095 -2.359 1.00 0.00 C ATOM 173 C ILE A 11 -4.664 4.508 -3.706 1.00 0.00 C ATOM 174 O ILE A 11 -5.439 5.459 -3.780 1.00 0.00 O ATOM 175 CB ILE A 11 -5.116 3.834 -1.276 1.00 0.00 C ATOM 176 CG1 ILE A 11 -6.176 4.937 -1.261 1.00 0.00 C ATOM 177 CG2 ILE A 11 -4.457 3.654 0.094 1.00 0.00 C ATOM 178 CD1 ILE A 11 -7.322 4.609 -2.220 1.00 0.00 C ATOM 0 H ILE A 11 -3.449 6.070 -2.033 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.558 3.143 -2.513 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.626 2.901 -1.514 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.566 5.058 -0.250 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.722 5.887 -1.543 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -5.225 3.470 0.846 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -3.772 2.807 0.060 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -3.904 4.557 0.353 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -8.062 5.409 -2.190 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.932 4.513 -3.233 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.790 3.671 -1.921 1.00 0.00 H new ATOM 190 N VAL A 12 -4.280 3.769 -4.738 1.00 0.00 N ATOM 191 CA VAL A 12 -4.768 4.046 -6.078 1.00 0.00 C ATOM 192 C VAL A 12 -5.244 2.743 -6.722 1.00 0.00 C ATOM 193 O VAL A 12 -4.528 1.743 -6.709 1.00 0.00 O ATOM 194 CB VAL A 12 -3.685 4.755 -6.893 1.00 0.00 C ATOM 195 CG1 VAL A 12 -2.432 3.885 -7.014 1.00 0.00 C ATOM 196 CG2 VAL A 12 -4.210 5.155 -8.274 1.00 0.00 C ATOM 0 H VAL A 12 -3.637 2.980 -4.672 1.00 0.00 H new ATOM 0 HA VAL A 12 -5.623 4.722 -6.041 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.410 5.667 -6.362 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.678 4.412 -7.598 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.039 3.673 -6.020 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.686 2.948 -7.511 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.420 5.657 -8.832 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.526 4.263 -8.815 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.058 5.830 -8.159 1.00 0.00 H new ATOM 206 N ASP A 13 -6.449 2.796 -7.271 1.00 0.00 N ATOM 207 CA ASP A 13 -7.028 1.632 -7.919 1.00 0.00 C ATOM 208 C ASP A 13 -7.744 2.070 -9.199 1.00 0.00 C ATOM 209 O ASP A 13 -8.345 3.141 -9.242 1.00 0.00 O ATOM 210 CB ASP A 13 -8.055 0.951 -7.012 1.00 0.00 C ATOM 211 CG ASP A 13 -7.498 0.414 -5.692 1.00 0.00 C ATOM 212 OD1 ASP A 13 -7.106 1.258 -4.857 1.00 0.00 O ATOM 213 OD2 ASP A 13 -7.475 -0.827 -5.549 1.00 0.00 O ATOM 0 H ASP A 13 -7.040 3.627 -7.280 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.222 0.932 -8.140 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -8.850 1.663 -6.790 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -8.510 0.125 -7.559 1.00 0.00 H new ATOM 218 N ASP A 14 -7.655 1.217 -10.209 1.00 0.00 N ATOM 219 CA ASP A 14 -8.286 1.502 -11.486 1.00 0.00 C ATOM 220 C ASP A 14 -9.769 1.803 -11.262 1.00 0.00 C ATOM 221 O ASP A 14 -10.290 2.794 -11.773 1.00 0.00 O ATOM 222 CB ASP A 14 -8.185 0.303 -12.430 1.00 0.00 C ATOM 223 CG ASP A 14 -8.135 0.653 -13.919 1.00 0.00 C ATOM 224 OD1 ASP A 14 -7.495 1.678 -14.239 1.00 0.00 O ATOM 225 OD2 ASP A 14 -8.738 -0.111 -14.703 1.00 0.00 O ATOM 0 H ASP A 14 -7.156 0.329 -10.169 1.00 0.00 H new ATOM 0 HA ASP A 14 -7.775 2.356 -11.931 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.291 -0.266 -12.176 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -9.039 -0.351 -12.255 1.00 0.00 H new ATOM 230 N GLN A 15 -10.408 0.931 -10.495 1.00 0.00 N ATOM 231 CA GLN A 15 -11.821 1.092 -10.196 1.00 0.00 C ATOM 232 C GLN A 15 -12.003 1.936 -8.933 1.00 0.00 C ATOM 233 O GLN A 15 -11.213 1.836 -7.996 1.00 0.00 O ATOM 234 CB GLN A 15 -12.508 -0.268 -10.051 1.00 0.00 C ATOM 235 CG GLN A 15 -13.793 -0.324 -10.878 1.00 0.00 C ATOM 236 CD GLN A 15 -13.483 -0.295 -12.376 1.00 0.00 C ATOM 237 OE1 GLN A 15 -12.346 -0.162 -12.798 1.00 0.00 O ATOM 238 NE2 GLN A 15 -14.555 -0.425 -13.153 1.00 0.00 N ATOM 0 H GLN A 15 -9.973 0.111 -10.072 1.00 0.00 H new ATOM 0 HA GLN A 15 -12.292 1.614 -11.029 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -11.830 -1.058 -10.373 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -12.738 -0.453 -9.002 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -14.347 -1.231 -10.635 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -14.433 0.519 -10.619 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -15.479 -0.533 -12.734 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -14.453 -0.417 -14.168 1.00 0.00 H new ATOM 247 N VAL A 16 -13.050 2.747 -8.950 1.00 0.00 N ATOM 248 CA VAL A 16 -13.347 3.609 -7.817 1.00 0.00 C ATOM 249 C VAL A 16 -13.837 2.754 -6.647 1.00 0.00 C ATOM 250 O VAL A 16 -13.441 2.976 -5.504 1.00 0.00 O ATOM 251 CB VAL A 16 -14.349 4.689 -8.230 1.00 0.00 C ATOM 252 CG1 VAL A 16 -15.133 5.201 -7.020 1.00 0.00 C ATOM 253 CG2 VAL A 16 -13.648 5.839 -8.956 1.00 0.00 C ATOM 0 H VAL A 16 -13.703 2.826 -9.729 1.00 0.00 H new ATOM 0 HA VAL A 16 -12.448 4.129 -7.486 1.00 0.00 H new ATOM 0 HB VAL A 16 -15.059 4.239 -8.923 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -15.838 5.968 -7.341 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -15.678 4.375 -6.564 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -14.442 5.626 -6.292 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -14.383 6.593 -9.238 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -12.905 6.286 -8.296 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -13.156 5.458 -9.851 1.00 0.00 H new ATOM 263 N THR A 17 -14.692 1.796 -6.973 1.00 0.00 N ATOM 264 CA THR A 17 -15.241 0.907 -5.962 1.00 0.00 C ATOM 265 C THR A 17 -14.116 0.170 -5.233 1.00 0.00 C ATOM 266 O THR A 17 -14.208 -0.079 -4.032 1.00 0.00 O ATOM 267 CB THR A 17 -16.236 -0.030 -6.648 1.00 0.00 C ATOM 268 OG1 THR A 17 -17.496 0.329 -6.084 1.00 0.00 O ATOM 269 CG2 THR A 17 -16.046 -1.491 -6.234 1.00 0.00 C ATOM 0 H THR A 17 -15.018 1.616 -7.922 1.00 0.00 H new ATOM 0 HA THR A 17 -15.774 1.464 -5.192 1.00 0.00 H new ATOM 0 HB THR A 17 -16.131 0.058 -7.729 1.00 0.00 H new ATOM 0 HG1 THR A 17 -18.200 -0.229 -6.475 1.00 0.00 H new ATOM 0 HG21 THR A 17 -16.777 -2.113 -6.750 1.00 0.00 H new ATOM 0 HG22 THR A 17 -15.040 -1.817 -6.500 1.00 0.00 H new ATOM 0 HG23 THR A 17 -16.185 -1.585 -5.157 1.00 0.00 H new ATOM 277 N SER A 18 -13.079 -0.159 -5.990 1.00 0.00 N ATOM 278 CA SER A 18 -11.937 -0.862 -5.430 1.00 0.00 C ATOM 279 C SER A 18 -11.139 0.073 -4.520 1.00 0.00 C ATOM 280 O SER A 18 -10.944 -0.219 -3.342 1.00 0.00 O ATOM 281 CB SER A 18 -11.039 -1.421 -6.536 1.00 0.00 C ATOM 282 OG SER A 18 -11.793 -1.905 -7.644 1.00 0.00 O ATOM 0 H SER A 18 -13.006 0.048 -6.986 1.00 0.00 H new ATOM 0 HA SER A 18 -12.308 -1.701 -4.841 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.355 -0.643 -6.875 1.00 0.00 H new ATOM 0 HB3 SER A 18 -10.428 -2.229 -6.133 1.00 0.00 H new ATOM 0 HG SER A 18 -11.210 -2.427 -8.234 1.00 0.00 H new ATOM 288 N ARG A 19 -10.702 1.180 -5.101 1.00 0.00 N ATOM 289 CA ARG A 19 -9.931 2.162 -4.357 1.00 0.00 C ATOM 290 C ARG A 19 -10.780 2.766 -3.236 1.00 0.00 C ATOM 291 O ARG A 19 -10.251 3.179 -2.205 1.00 0.00 O ATOM 292 CB ARG A 19 -9.435 3.283 -5.273 1.00 0.00 C ATOM 293 CG ARG A 19 -9.587 4.648 -4.599 1.00 0.00 C ATOM 294 CD ARG A 19 -11.035 5.136 -4.668 1.00 0.00 C ATOM 295 NE ARG A 19 -11.072 6.557 -5.079 1.00 0.00 N ATOM 296 CZ ARG A 19 -10.605 7.568 -4.334 1.00 0.00 C ATOM 297 NH1 ARG A 19 -10.065 7.320 -3.133 1.00 0.00 N ATOM 298 NH2 ARG A 19 -10.681 8.826 -4.788 1.00 0.00 N ATOM 0 H ARG A 19 -10.867 1.419 -6.079 1.00 0.00 H new ATOM 0 HA ARG A 19 -9.069 1.651 -3.929 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.389 3.113 -5.528 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -9.997 3.270 -6.207 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -9.272 4.580 -3.558 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -8.932 5.372 -5.084 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -11.598 4.529 -5.377 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -11.514 5.018 -3.696 1.00 0.00 H new ATOM 0 HE ARG A 19 -11.479 6.781 -5.987 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -10.010 6.362 -2.787 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -9.709 8.089 -2.565 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -11.095 9.015 -5.701 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -10.325 9.595 -4.221 1.00 0.00 H new ATOM 312 N LEU A 20 -12.082 2.798 -3.476 1.00 0.00 N ATOM 313 CA LEU A 20 -13.009 3.344 -2.500 1.00 0.00 C ATOM 314 C LEU A 20 -13.127 2.380 -1.318 1.00 0.00 C ATOM 315 O LEU A 20 -13.108 2.802 -0.163 1.00 0.00 O ATOM 316 CB LEU A 20 -14.351 3.674 -3.160 1.00 0.00 C ATOM 317 CG LEU A 20 -15.497 4.025 -2.210 1.00 0.00 C ATOM 318 CD1 LEU A 20 -16.371 5.137 -2.793 1.00 0.00 C ATOM 319 CD2 LEU A 20 -16.314 2.781 -1.854 1.00 0.00 C ATOM 0 H LEU A 20 -12.517 2.455 -4.332 1.00 0.00 H new ATOM 0 HA LEU A 20 -12.633 4.288 -2.106 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -14.202 4.511 -3.842 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -14.656 2.820 -3.765 1.00 0.00 H new ATOM 0 HG LEU A 20 -15.068 4.405 -1.283 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -17.178 5.367 -2.098 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -15.765 6.029 -2.954 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -16.793 4.808 -3.743 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -17.122 3.058 -1.177 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -16.733 2.349 -2.763 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -15.669 2.049 -1.368 1.00 0.00 H new ATOM 331 N LEU A 21 -13.244 1.102 -1.648 1.00 0.00 N ATOM 332 CA LEU A 21 -13.365 0.073 -0.629 1.00 0.00 C ATOM 333 C LEU A 21 -12.121 0.097 0.262 1.00 0.00 C ATOM 334 O LEU A 21 -12.226 0.257 1.476 1.00 0.00 O ATOM 335 CB LEU A 21 -13.636 -1.289 -1.272 1.00 0.00 C ATOM 336 CG LEU A 21 -15.067 -1.529 -1.755 1.00 0.00 C ATOM 337 CD1 LEU A 21 -15.103 -2.597 -2.850 1.00 0.00 C ATOM 338 CD2 LEU A 21 -15.990 -1.874 -0.586 1.00 0.00 C ATOM 0 H LEU A 21 -13.258 0.756 -2.607 1.00 0.00 H new ATOM 0 HA LEU A 21 -14.223 0.271 0.014 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -12.962 -1.409 -2.121 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -13.382 -2.066 -0.551 1.00 0.00 H new ATOM 0 HG LEU A 21 -15.439 -0.604 -2.195 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -16.132 -2.749 -3.176 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -14.498 -2.271 -3.696 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -14.704 -3.533 -2.459 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -17.001 -2.040 -0.957 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -15.631 -2.778 -0.094 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -15.996 -1.050 0.128 1.00 0.00 H new ATOM 350 N LEU A 22 -10.972 -0.065 -0.377 1.00 0.00 N ATOM 351 CA LEU A 22 -9.709 -0.065 0.342 1.00 0.00 C ATOM 352 C LEU A 22 -9.571 1.245 1.122 1.00 0.00 C ATOM 353 O LEU A 22 -9.264 1.233 2.312 1.00 0.00 O ATOM 354 CB LEU A 22 -8.547 -0.336 -0.614 1.00 0.00 C ATOM 355 CG LEU A 22 -8.575 0.432 -1.939 1.00 0.00 C ATOM 356 CD1 LEU A 22 -7.633 1.636 -1.894 1.00 0.00 C ATOM 357 CD2 LEU A 22 -8.265 -0.495 -3.115 1.00 0.00 C ATOM 0 H LEU A 22 -10.889 -0.197 -1.385 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.686 -0.875 1.071 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.616 -0.099 -0.099 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.526 -1.403 -0.836 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.583 0.818 -2.090 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.672 2.164 -2.847 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.941 2.309 -1.094 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.614 1.294 -1.710 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.291 0.075 -4.044 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.274 -0.930 -2.984 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -9.008 -1.291 -3.157 1.00 0.00 H new ATOM 369 N GLY A 23 -9.806 2.343 0.417 1.00 0.00 N ATOM 370 CA GLY A 23 -9.711 3.658 1.028 1.00 0.00 C ATOM 371 C GLY A 23 -10.749 3.821 2.140 1.00 0.00 C ATOM 372 O GLY A 23 -10.518 4.545 3.107 1.00 0.00 O ATOM 0 H GLY A 23 -10.062 2.349 -0.570 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.710 3.802 1.435 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -9.861 4.427 0.270 1.00 0.00 H new ATOM 376 N ASP A 24 -11.869 3.137 1.965 1.00 0.00 N ATOM 377 CA ASP A 24 -12.943 3.197 2.942 1.00 0.00 C ATOM 378 C ASP A 24 -12.558 2.369 4.169 1.00 0.00 C ATOM 379 O ASP A 24 -12.696 2.830 5.302 1.00 0.00 O ATOM 380 CB ASP A 24 -14.241 2.620 2.372 1.00 0.00 C ATOM 381 CG ASP A 24 -15.460 2.740 3.287 1.00 0.00 C ATOM 382 OD1 ASP A 24 -15.440 2.080 4.348 1.00 0.00 O ATOM 383 OD2 ASP A 24 -16.384 3.491 2.905 1.00 0.00 O ATOM 0 H ASP A 24 -12.057 2.538 1.161 1.00 0.00 H new ATOM 0 HA ASP A 24 -13.099 4.243 3.206 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -14.462 3.123 1.431 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -14.082 1.567 2.141 1.00 0.00 H new ATOM 388 N ALA A 25 -12.082 1.162 3.903 1.00 0.00 N ATOM 389 CA ALA A 25 -11.674 0.265 4.972 1.00 0.00 C ATOM 390 C ALA A 25 -10.608 0.951 5.828 1.00 0.00 C ATOM 391 O ALA A 25 -10.670 0.907 7.056 1.00 0.00 O ATOM 392 CB ALA A 25 -11.184 -1.054 4.373 1.00 0.00 C ATOM 0 H ALA A 25 -11.969 0.783 2.963 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.518 0.033 5.622 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.878 -1.726 5.175 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -11.989 -1.515 3.800 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.335 -0.862 3.717 1.00 0.00 H new ATOM 398 N LEU A 26 -9.653 1.567 5.146 1.00 0.00 N ATOM 399 CA LEU A 26 -8.575 2.261 5.828 1.00 0.00 C ATOM 400 C LEU A 26 -9.120 3.536 6.472 1.00 0.00 C ATOM 401 O LEU A 26 -8.573 4.021 7.462 1.00 0.00 O ATOM 402 CB LEU A 26 -7.405 2.505 4.873 1.00 0.00 C ATOM 403 CG LEU A 26 -6.318 1.429 4.853 1.00 0.00 C ATOM 404 CD1 LEU A 26 -5.380 1.574 6.052 1.00 0.00 C ATOM 405 CD2 LEU A 26 -6.933 0.030 4.771 1.00 0.00 C ATOM 0 H LEU A 26 -9.604 1.599 4.128 1.00 0.00 H new ATOM 0 HA LEU A 26 -8.175 1.644 6.633 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.802 2.610 3.863 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -6.941 3.456 5.134 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.716 1.569 3.955 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.617 0.797 6.013 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.902 2.553 6.024 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.951 1.476 6.975 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.139 -0.716 4.758 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -7.574 -0.137 5.637 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -7.525 -0.054 3.860 1.00 0.00 H new ATOM 417 N GLN A 27 -10.193 4.045 5.885 1.00 0.00 N ATOM 418 CA GLN A 27 -10.820 5.256 6.387 1.00 0.00 C ATOM 419 C GLN A 27 -11.301 5.046 7.824 1.00 0.00 C ATOM 420 O GLN A 27 -11.010 5.854 8.705 1.00 0.00 O ATOM 421 CB GLN A 27 -11.972 5.694 5.482 1.00 0.00 C ATOM 422 CG GLN A 27 -13.317 5.550 6.197 1.00 0.00 C ATOM 423 CD GLN A 27 -14.455 6.116 5.345 1.00 0.00 C ATOM 424 OE1 GLN A 27 -15.348 5.207 4.963 1.00 0.00 O flip ATOM 425 NE2 GLN A 27 -14.517 7.299 5.054 1.00 0.00 N flip ATOM 0 H GLN A 27 -10.645 3.640 5.065 1.00 0.00 H new ATOM 0 HA GLN A 27 -10.078 6.054 6.385 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -11.827 6.731 5.179 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -11.973 5.093 4.573 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -13.508 4.499 6.412 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -13.281 6.070 7.154 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -13.797 7.943 5.381 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -15.289 7.644 4.484 1.00 0.00 H new ATOM 434 N GLN A 28 -12.029 3.956 8.018 1.00 0.00 N ATOM 435 CA GLN A 28 -12.553 3.630 9.333 1.00 0.00 C ATOM 436 C GLN A 28 -11.407 3.406 10.322 1.00 0.00 C ATOM 437 O GLN A 28 -11.627 3.349 11.531 1.00 0.00 O ATOM 438 CB GLN A 28 -13.470 2.406 9.270 1.00 0.00 C ATOM 439 CG GLN A 28 -14.831 2.708 9.900 1.00 0.00 C ATOM 440 CD GLN A 28 -15.952 1.975 9.158 1.00 0.00 C ATOM 441 OE1 GLN A 28 -16.079 0.764 9.212 1.00 0.00 O ATOM 442 NE2 GLN A 28 -16.756 2.776 8.464 1.00 0.00 N ATOM 0 H GLN A 28 -12.268 3.287 7.286 1.00 0.00 H new ATOM 0 HA GLN A 28 -13.149 4.473 9.683 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -13.605 2.101 8.232 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -13.002 1.570 9.789 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -14.826 2.407 10.948 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -15.016 3.782 9.877 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -16.594 3.783 8.461 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -17.535 2.383 7.935 1.00 0.00 H new ATOM 451 N LEU A 29 -10.208 3.284 9.770 1.00 0.00 N ATOM 452 CA LEU A 29 -9.026 3.067 10.587 1.00 0.00 C ATOM 453 C LEU A 29 -8.327 4.406 10.829 1.00 0.00 C ATOM 454 O LEU A 29 -7.465 4.511 11.701 1.00 0.00 O ATOM 455 CB LEU A 29 -8.124 2.007 9.954 1.00 0.00 C ATOM 456 CG LEU A 29 -6.632 2.341 9.903 1.00 0.00 C ATOM 457 CD1 LEU A 29 -6.036 2.404 11.311 1.00 0.00 C ATOM 458 CD2 LEU A 29 -5.880 1.354 9.007 1.00 0.00 C ATOM 0 H LEU A 29 -10.030 3.331 8.767 1.00 0.00 H new ATOM 0 HA LEU A 29 -9.305 2.671 11.564 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.249 1.075 10.506 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.470 1.824 8.937 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.518 3.330 9.460 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.974 2.643 11.246 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -6.547 3.175 11.888 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.161 1.439 11.803 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.822 1.614 8.988 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -5.999 0.344 9.399 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.283 1.401 7.995 1.00 0.00 H new ATOM 470 N GLY A 30 -8.723 5.395 10.043 1.00 0.00 N ATOM 471 CA GLY A 30 -8.145 6.723 10.159 1.00 0.00 C ATOM 472 C GLY A 30 -6.677 6.722 9.728 1.00 0.00 C ATOM 473 O GLY A 30 -5.862 7.457 10.282 1.00 0.00 O ATOM 0 H GLY A 30 -9.438 5.304 9.322 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -8.708 7.424 9.543 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.225 7.069 11.189 1.00 0.00 H new ATOM 477 N PHE A 31 -6.384 5.887 8.741 1.00 0.00 N ATOM 478 CA PHE A 31 -5.029 5.779 8.228 1.00 0.00 C ATOM 479 C PHE A 31 -4.208 7.021 8.586 1.00 0.00 C ATOM 480 O PHE A 31 -3.779 7.178 9.727 1.00 0.00 O ATOM 481 CB PHE A 31 -5.134 5.674 6.706 1.00 0.00 C ATOM 482 CG PHE A 31 -6.131 6.651 6.080 1.00 0.00 C ATOM 483 CD1 PHE A 31 -7.424 6.664 6.500 1.00 0.00 C ATOM 484 CD2 PHE A 31 -5.723 7.507 5.106 1.00 0.00 C ATOM 485 CE1 PHE A 31 -8.350 7.572 5.921 1.00 0.00 C ATOM 486 CE2 PHE A 31 -6.648 8.415 4.526 1.00 0.00 C ATOM 487 CZ PHE A 31 -7.942 8.429 4.946 1.00 0.00 C ATOM 0 H PHE A 31 -7.063 5.279 8.283 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.534 4.910 8.662 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -4.150 5.848 6.272 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -5.424 4.657 6.442 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -7.747 5.984 7.274 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -4.696 7.497 4.773 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -9.377 7.582 6.254 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -6.324 9.094 3.751 1.00 0.00 H new ATOM 0 HZ PHE A 31 -8.645 9.120 4.506 1.00 0.00 H new ATOM 497 N LYS A 32 -4.014 7.870 7.587 1.00 0.00 N ATOM 498 CA LYS A 32 -3.252 9.091 7.782 1.00 0.00 C ATOM 499 C LYS A 32 -3.533 10.053 6.625 1.00 0.00 C ATOM 500 O LYS A 32 -3.915 11.201 6.846 1.00 0.00 O ATOM 501 CB LYS A 32 -1.767 8.773 7.970 1.00 0.00 C ATOM 502 CG LYS A 32 -1.105 9.783 8.909 1.00 0.00 C ATOM 503 CD LYS A 32 -1.087 9.262 10.348 1.00 0.00 C ATOM 504 CE LYS A 32 -0.776 10.390 11.335 1.00 0.00 C ATOM 505 NZ LYS A 32 -1.757 10.393 12.444 1.00 0.00 N ATOM 0 H LYS A 32 -4.371 7.736 6.641 1.00 0.00 H new ATOM 0 HA LYS A 32 -3.565 9.592 8.698 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -1.655 7.767 8.375 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -1.263 8.785 7.003 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -0.086 9.980 8.577 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -1.643 10.730 8.868 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -2.053 8.818 10.590 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.340 8.474 10.444 1.00 0.00 H new ATOM 0 HE2 LYS A 32 0.231 10.266 11.733 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -0.799 11.350 10.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -1.532 11.164 13.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -2.714 10.534 12.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.716 9.483 12.947 1.00 0.00 H new ATOM 519 N GLN A 33 -3.333 9.547 5.416 1.00 0.00 N ATOM 520 CA GLN A 33 -3.560 10.347 4.225 1.00 0.00 C ATOM 521 C GLN A 33 -3.805 9.440 3.016 1.00 0.00 C ATOM 522 O GLN A 33 -2.983 8.581 2.704 1.00 0.00 O ATOM 523 CB GLN A 33 -2.388 11.296 3.969 1.00 0.00 C ATOM 524 CG GLN A 33 -2.773 12.742 4.288 1.00 0.00 C ATOM 525 CD GLN A 33 -2.745 13.608 3.027 1.00 0.00 C ATOM 526 OE1 GLN A 33 -1.976 14.687 3.129 1.00 0.00 O flip ATOM 527 NE2 GLN A 33 -3.380 13.314 2.027 1.00 0.00 N flip ATOM 0 H GLN A 33 -3.017 8.594 5.237 1.00 0.00 H new ATOM 0 HA GLN A 33 -4.449 10.957 4.385 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -1.535 11.000 4.580 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.075 11.221 2.928 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -3.769 12.768 4.729 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -2.086 13.150 5.029 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -3.952 12.469 2.016 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -3.339 13.913 1.202 1.00 0.00 H new ATOM 536 N ILE A 34 -4.940 9.664 2.370 1.00 0.00 N ATOM 537 CA ILE A 34 -5.303 8.878 1.203 1.00 0.00 C ATOM 538 C ILE A 34 -4.896 9.634 -0.063 1.00 0.00 C ATOM 539 O ILE A 34 -5.456 10.685 -0.371 1.00 0.00 O ATOM 540 CB ILE A 34 -6.787 8.509 1.246 1.00 0.00 C ATOM 541 CG1 ILE A 34 -7.632 9.687 1.735 1.00 0.00 C ATOM 542 CG2 ILE A 34 -7.015 7.252 2.089 1.00 0.00 C ATOM 543 CD1 ILE A 34 -8.955 9.769 0.970 1.00 0.00 C ATOM 0 H ILE A 34 -5.620 10.378 2.632 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.762 7.932 1.199 1.00 0.00 H new ATOM 0 HB ILE A 34 -7.111 8.280 0.231 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.831 9.579 2.801 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.076 10.616 1.607 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -8.078 7.011 2.103 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.460 6.419 1.657 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.669 7.429 3.107 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -9.536 10.615 1.337 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -8.753 9.902 -0.093 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.520 8.849 1.120 1.00 0.00 H new ATOM 555 N THR A 35 -3.922 9.070 -0.763 1.00 0.00 N ATOM 556 CA THR A 35 -3.432 9.678 -1.989 1.00 0.00 C ATOM 557 C THR A 35 -3.542 8.692 -3.153 1.00 0.00 C ATOM 558 O THR A 35 -2.902 7.642 -3.146 1.00 0.00 O ATOM 559 CB THR A 35 -2.003 10.164 -1.737 1.00 0.00 C ATOM 560 OG1 THR A 35 -2.149 11.561 -1.502 1.00 0.00 O ATOM 561 CG2 THR A 35 -1.129 10.085 -2.990 1.00 0.00 C ATOM 0 H THR A 35 -3.459 8.199 -0.505 1.00 0.00 H new ATOM 0 HA THR A 35 -4.038 10.538 -2.274 1.00 0.00 H new ATOM 0 HB THR A 35 -1.552 9.570 -0.942 1.00 0.00 H new ATOM 0 HG1 THR A 35 -1.270 11.957 -1.328 1.00 0.00 H new ATOM 0 HG21 THR A 35 -0.126 10.441 -2.757 1.00 0.00 H new ATOM 0 HG22 THR A 35 -1.077 9.052 -3.332 1.00 0.00 H new ATOM 0 HG23 THR A 35 -1.561 10.706 -3.775 1.00 0.00 H new ATOM 569 N ALA A 36 -4.360 9.066 -4.127 1.00 0.00 N ATOM 570 CA ALA A 36 -4.562 8.229 -5.297 1.00 0.00 C ATOM 571 C ALA A 36 -4.247 9.035 -6.558 1.00 0.00 C ATOM 572 O ALA A 36 -4.579 10.216 -6.642 1.00 0.00 O ATOM 573 CB ALA A 36 -5.993 7.686 -5.295 1.00 0.00 C ATOM 0 H ALA A 36 -4.890 9.937 -4.129 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.887 7.373 -5.277 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.145 7.058 -6.173 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.157 7.096 -4.394 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.698 8.517 -5.317 1.00 0.00 H new ATOM 579 N ALA A 37 -3.609 8.365 -7.507 1.00 0.00 N ATOM 580 CA ALA A 37 -3.245 9.006 -8.759 1.00 0.00 C ATOM 581 C ALA A 37 -3.255 7.965 -9.880 1.00 0.00 C ATOM 582 O ALA A 37 -2.674 6.890 -9.740 1.00 0.00 O ATOM 583 CB ALA A 37 -1.882 9.685 -8.608 1.00 0.00 C ATOM 0 H ALA A 37 -3.335 7.385 -7.434 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.968 9.779 -9.019 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.609 10.166 -9.547 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.934 10.435 -7.818 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -1.130 8.939 -8.351 1.00 0.00 H new ATOM 589 N GLY A 38 -3.923 8.321 -10.968 1.00 0.00 N ATOM 590 CA GLY A 38 -4.017 7.431 -12.113 1.00 0.00 C ATOM 591 C GLY A 38 -4.020 5.967 -11.671 1.00 0.00 C ATOM 592 O GLY A 38 -5.078 5.393 -11.418 1.00 0.00 O ATOM 0 H GLY A 38 -4.404 9.213 -11.081 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.927 7.647 -12.672 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.179 7.609 -12.787 1.00 0.00 H new ATOM 596 N ASP A 39 -2.823 5.404 -11.590 1.00 0.00 N ATOM 597 CA ASP A 39 -2.674 4.017 -11.183 1.00 0.00 C ATOM 598 C ASP A 39 -1.378 3.861 -10.385 1.00 0.00 C ATOM 599 O ASP A 39 -0.726 4.850 -10.054 1.00 0.00 O ATOM 600 CB ASP A 39 -2.595 3.091 -12.398 1.00 0.00 C ATOM 601 CG ASP A 39 -3.758 2.107 -12.537 1.00 0.00 C ATOM 602 OD1 ASP A 39 -4.272 1.683 -11.479 1.00 0.00 O ATOM 603 OD2 ASP A 39 -4.106 1.799 -13.697 1.00 0.00 O ATOM 0 H ASP A 39 -1.947 5.883 -11.799 1.00 0.00 H new ATOM 0 HA ASP A 39 -3.542 3.748 -10.581 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.546 3.702 -13.299 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.665 2.526 -12.345 1.00 0.00 H new ATOM 608 N GLY A 40 -1.042 2.612 -10.100 1.00 0.00 N ATOM 609 CA GLY A 40 0.164 2.313 -9.348 1.00 0.00 C ATOM 610 C GLY A 40 1.322 3.209 -9.792 1.00 0.00 C ATOM 611 O GLY A 40 2.056 3.739 -8.959 1.00 0.00 O ATOM 0 H GLY A 40 -1.585 1.794 -10.377 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.022 2.454 -8.283 1.00 0.00 H new ATOM 0 HA3 GLY A 40 0.435 1.266 -9.488 1.00 0.00 H new ATOM 615 N GLU A 41 1.450 3.349 -11.103 1.00 0.00 N ATOM 616 CA GLU A 41 2.507 4.172 -11.668 1.00 0.00 C ATOM 617 C GLU A 41 2.276 5.644 -11.323 1.00 0.00 C ATOM 618 O GLU A 41 3.147 6.295 -10.747 1.00 0.00 O ATOM 619 CB GLU A 41 2.607 3.973 -13.181 1.00 0.00 C ATOM 620 CG GLU A 41 3.583 2.844 -13.522 1.00 0.00 C ATOM 621 CD GLU A 41 4.163 3.027 -14.927 1.00 0.00 C ATOM 622 OE1 GLU A 41 3.798 4.037 -15.564 1.00 0.00 O ATOM 623 OE2 GLU A 41 4.959 2.151 -15.329 1.00 0.00 O ATOM 0 H GLU A 41 0.840 2.907 -11.790 1.00 0.00 H new ATOM 0 HA GLU A 41 3.456 3.861 -11.230 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.622 3.742 -13.587 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.937 4.899 -13.652 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.391 2.824 -12.791 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.071 1.884 -13.458 1.00 0.00 H new ATOM 630 N GLN A 42 1.097 6.127 -11.690 1.00 0.00 N ATOM 631 CA GLN A 42 0.740 7.511 -11.426 1.00 0.00 C ATOM 632 C GLN A 42 0.763 7.787 -9.922 1.00 0.00 C ATOM 633 O GLN A 42 1.291 8.807 -9.482 1.00 0.00 O ATOM 634 CB GLN A 42 -0.626 7.847 -12.026 1.00 0.00 C ATOM 635 CG GLN A 42 -0.633 9.261 -12.613 1.00 0.00 C ATOM 636 CD GLN A 42 -0.947 9.230 -14.110 1.00 0.00 C ATOM 637 OE1 GLN A 42 -0.185 8.729 -14.921 1.00 0.00 O ATOM 638 NE2 GLN A 42 -2.109 9.793 -14.432 1.00 0.00 N ATOM 0 H GLN A 42 0.377 5.585 -12.168 1.00 0.00 H new ATOM 0 HA GLN A 42 1.478 8.155 -11.904 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -0.873 7.125 -12.804 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -1.395 7.764 -11.258 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -1.373 9.870 -12.095 1.00 0.00 H new ATOM 0 HG3 GLN A 42 0.337 9.731 -12.451 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -2.700 10.194 -13.704 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -2.408 9.823 -15.407 1.00 0.00 H new ATOM 647 N GLY A 43 0.182 6.860 -9.173 1.00 0.00 N ATOM 648 CA GLY A 43 0.129 6.992 -7.727 1.00 0.00 C ATOM 649 C GLY A 43 1.521 6.842 -7.111 1.00 0.00 C ATOM 650 O GLY A 43 1.786 7.369 -6.032 1.00 0.00 O ATOM 0 H GLY A 43 -0.256 6.015 -9.541 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.287 7.964 -7.462 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.539 6.236 -7.314 1.00 0.00 H new ATOM 654 N MET A 44 2.374 6.121 -7.824 1.00 0.00 N ATOM 655 CA MET A 44 3.733 5.895 -7.361 1.00 0.00 C ATOM 656 C MET A 44 4.545 7.191 -7.391 1.00 0.00 C ATOM 657 O MET A 44 5.152 7.570 -6.390 1.00 0.00 O ATOM 658 CB MET A 44 4.408 4.848 -8.250 1.00 0.00 C ATOM 659 CG MET A 44 5.926 4.858 -8.053 1.00 0.00 C ATOM 660 SD MET A 44 6.492 3.229 -7.594 1.00 0.00 S ATOM 661 CE MET A 44 7.302 3.607 -6.048 1.00 0.00 C ATOM 0 H MET A 44 2.150 5.686 -8.719 1.00 0.00 H new ATOM 0 HA MET A 44 3.692 5.538 -6.332 1.00 0.00 H new ATOM 0 HB2 MET A 44 4.014 3.859 -8.017 1.00 0.00 H new ATOM 0 HB3 MET A 44 4.172 5.047 -9.295 1.00 0.00 H new ATOM 0 HG2 MET A 44 6.418 5.178 -8.972 1.00 0.00 H new ATOM 0 HG3 MET A 44 6.196 5.577 -7.280 1.00 0.00 H new ATOM 0 HE1 MET A 44 8.383 3.587 -6.189 1.00 0.00 H new ATOM 0 HE2 MET A 44 6.998 4.598 -5.711 1.00 0.00 H new ATOM 0 HE3 MET A 44 7.020 2.867 -5.299 1.00 0.00 H new ATOM 671 N LYS A 45 4.530 7.835 -8.548 1.00 0.00 N ATOM 672 CA LYS A 45 5.258 9.080 -8.722 1.00 0.00 C ATOM 673 C LYS A 45 4.602 10.172 -7.873 1.00 0.00 C ATOM 674 O LYS A 45 5.282 11.065 -7.370 1.00 0.00 O ATOM 675 CB LYS A 45 5.363 9.437 -10.206 1.00 0.00 C ATOM 676 CG LYS A 45 3.977 9.559 -10.841 1.00 0.00 C ATOM 677 CD LYS A 45 3.952 8.918 -12.230 1.00 0.00 C ATOM 678 CE LYS A 45 3.198 9.799 -13.227 1.00 0.00 C ATOM 679 NZ LYS A 45 2.708 8.992 -14.367 1.00 0.00 N ATOM 0 H LYS A 45 4.025 7.518 -9.375 1.00 0.00 H new ATOM 0 HA LYS A 45 6.284 8.973 -8.370 1.00 0.00 H new ATOM 0 HB2 LYS A 45 5.903 10.377 -10.320 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.940 8.673 -10.727 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.237 9.079 -10.201 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.699 10.610 -10.917 1.00 0.00 H new ATOM 0 HD2 LYS A 45 4.972 8.759 -12.579 1.00 0.00 H new ATOM 0 HD3 LYS A 45 3.478 7.938 -12.174 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.358 10.284 -12.730 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.854 10.591 -13.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 3.094 9.374 -15.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 3.016 8.005 -14.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 1.669 9.029 -14.397 1.00 0.00 H new ATOM 693 N ILE A 46 3.288 10.063 -7.740 1.00 0.00 N ATOM 694 CA ILE A 46 2.533 11.029 -6.960 1.00 0.00 C ATOM 695 C ILE A 46 2.827 10.819 -5.473 1.00 0.00 C ATOM 696 O ILE A 46 2.865 11.778 -4.703 1.00 0.00 O ATOM 697 CB ILE A 46 1.045 10.954 -7.309 1.00 0.00 C ATOM 698 CG1 ILE A 46 0.713 11.864 -8.492 1.00 0.00 C ATOM 699 CG2 ILE A 46 0.179 11.264 -6.086 1.00 0.00 C ATOM 700 CD1 ILE A 46 1.350 11.341 -9.782 1.00 0.00 C ATOM 0 H ILE A 46 2.727 9.321 -8.159 1.00 0.00 H new ATOM 0 HA ILE A 46 2.844 12.044 -7.207 1.00 0.00 H new ATOM 0 HB ILE A 46 0.817 9.933 -7.615 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.368 11.926 -8.615 1.00 0.00 H new ATOM 0 HG13 ILE A 46 1.069 12.874 -8.290 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.874 11.204 -6.361 1.00 0.00 H new ATOM 0 HG22 ILE A 46 0.390 10.541 -5.298 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.403 12.268 -5.726 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.098 12.006 -10.608 1.00 0.00 H new ATOM 0 HD12 ILE A 46 2.433 11.303 -9.664 1.00 0.00 H new ATOM 0 HD13 ILE A 46 0.973 10.341 -9.994 1.00 0.00 H new ATOM 712 N MET A 47 3.029 9.560 -5.114 1.00 0.00 N ATOM 713 CA MET A 47 3.318 9.213 -3.733 1.00 0.00 C ATOM 714 C MET A 47 4.777 9.516 -3.386 1.00 0.00 C ATOM 715 O MET A 47 5.062 10.108 -2.346 1.00 0.00 O ATOM 716 CB MET A 47 3.039 7.725 -3.511 1.00 0.00 C ATOM 717 CG MET A 47 4.014 7.130 -2.493 1.00 0.00 C ATOM 718 SD MET A 47 5.367 6.330 -3.339 1.00 0.00 S ATOM 719 CE MET A 47 4.495 4.972 -4.103 1.00 0.00 C ATOM 0 H MET A 47 2.998 8.768 -5.755 1.00 0.00 H new ATOM 0 HA MET A 47 2.678 9.812 -3.086 1.00 0.00 H new ATOM 0 HB2 MET A 47 2.016 7.592 -3.161 1.00 0.00 H new ATOM 0 HB3 MET A 47 3.124 7.190 -4.457 1.00 0.00 H new ATOM 0 HG2 MET A 47 4.396 7.915 -1.841 1.00 0.00 H new ATOM 0 HG3 MET A 47 3.496 6.412 -1.858 1.00 0.00 H new ATOM 0 HE1 MET A 47 4.902 4.792 -5.098 1.00 0.00 H new ATOM 0 HE2 MET A 47 4.614 4.075 -3.495 1.00 0.00 H new ATOM 0 HE3 MET A 47 3.436 5.218 -4.183 1.00 0.00 H new ATOM 729 N ALA A 48 5.663 9.095 -4.276 1.00 0.00 N ATOM 730 CA ALA A 48 7.086 9.315 -4.077 1.00 0.00 C ATOM 731 C ALA A 48 7.369 10.818 -4.062 1.00 0.00 C ATOM 732 O ALA A 48 8.149 11.299 -3.241 1.00 0.00 O ATOM 733 CB ALA A 48 7.873 8.584 -5.168 1.00 0.00 C ATOM 0 H ALA A 48 5.424 8.603 -5.137 1.00 0.00 H new ATOM 0 HA ALA A 48 7.406 8.910 -3.117 1.00 0.00 H new ATOM 0 HB1 ALA A 48 8.940 8.749 -5.019 1.00 0.00 H new ATOM 0 HB2 ALA A 48 7.660 7.516 -5.117 1.00 0.00 H new ATOM 0 HB3 ALA A 48 7.580 8.966 -6.146 1.00 0.00 H new ATOM 739 N GLN A 49 6.721 11.520 -4.980 1.00 0.00 N ATOM 740 CA GLN A 49 6.893 12.959 -5.082 1.00 0.00 C ATOM 741 C GLN A 49 6.609 13.624 -3.734 1.00 0.00 C ATOM 742 O GLN A 49 7.027 14.757 -3.497 1.00 0.00 O ATOM 743 CB GLN A 49 6.000 13.541 -6.180 1.00 0.00 C ATOM 744 CG GLN A 49 6.762 13.658 -7.502 1.00 0.00 C ATOM 745 CD GLN A 49 7.786 14.794 -7.445 1.00 0.00 C ATOM 746 OE1 GLN A 49 7.515 15.886 -6.976 1.00 0.00 O ATOM 747 NE2 GLN A 49 8.975 14.474 -7.950 1.00 0.00 N ATOM 0 H GLN A 49 6.076 11.119 -5.660 1.00 0.00 H new ATOM 0 HA GLN A 49 7.928 13.164 -5.355 1.00 0.00 H new ATOM 0 HB2 GLN A 49 5.124 12.906 -6.316 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.638 14.523 -5.877 1.00 0.00 H new ATOM 0 HG2 GLN A 49 7.268 12.717 -7.719 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.060 13.837 -8.316 1.00 0.00 H new ATOM 0 HE21 GLN A 49 9.134 13.540 -8.327 1.00 0.00 H new ATOM 0 HE22 GLN A 49 9.727 15.163 -7.960 1.00 0.00 H new ATOM 756 N ASN A 50 5.900 12.893 -2.886 1.00 0.00 N ATOM 757 CA ASN A 50 5.556 13.398 -1.569 1.00 0.00 C ATOM 758 C ASN A 50 5.780 12.298 -0.530 1.00 0.00 C ATOM 759 O ASN A 50 6.282 11.223 -0.858 1.00 0.00 O ATOM 760 CB ASN A 50 4.086 13.816 -1.505 1.00 0.00 C ATOM 761 CG ASN A 50 3.489 13.935 -2.909 1.00 0.00 C ATOM 762 OD1 ASN A 50 4.129 14.381 -3.847 1.00 0.00 O ATOM 763 ND2 ASN A 50 2.231 13.515 -3.000 1.00 0.00 N ATOM 0 H ASN A 50 5.555 11.954 -3.086 1.00 0.00 H new ATOM 0 HA ASN A 50 6.186 14.264 -1.366 1.00 0.00 H new ATOM 0 HB2 ASN A 50 3.521 13.085 -0.926 1.00 0.00 H new ATOM 0 HB3 ASN A 50 3.998 14.770 -0.986 1.00 0.00 H new ATOM 0 HD21 ASN A 50 1.743 13.555 -3.895 1.00 0.00 H new ATOM 0 HD22 ASN A 50 1.753 13.153 -2.175 1.00 0.00 H new ATOM 770 N PRO A 51 5.386 12.610 0.733 1.00 0.00 N ATOM 771 CA PRO A 51 5.539 11.660 1.821 1.00 0.00 C ATOM 772 C PRO A 51 4.489 10.551 1.732 1.00 0.00 C ATOM 773 O PRO A 51 3.401 10.762 1.198 1.00 0.00 O ATOM 774 CB PRO A 51 5.419 12.490 3.089 1.00 0.00 C ATOM 775 CG PRO A 51 4.744 13.788 2.675 1.00 0.00 C ATOM 776 CD PRO A 51 4.788 13.873 1.158 1.00 0.00 C ATOM 0 HA PRO A 51 6.495 11.138 1.792 1.00 0.00 H new ATOM 0 HB2 PRO A 51 4.831 11.967 3.844 1.00 0.00 H new ATOM 0 HB3 PRO A 51 6.400 12.681 3.525 1.00 0.00 H new ATOM 0 HG2 PRO A 51 3.713 13.812 3.029 1.00 0.00 H new ATOM 0 HG3 PRO A 51 5.254 14.642 3.120 1.00 0.00 H new ATOM 0 HD2 PRO A 51 3.790 13.999 0.739 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.383 14.724 0.826 1.00 0.00 H new ATOM 784 N HIS A 52 4.851 9.392 2.265 1.00 0.00 N ATOM 785 CA HIS A 52 3.953 8.249 2.251 1.00 0.00 C ATOM 786 C HIS A 52 4.544 7.123 3.102 1.00 0.00 C ATOM 787 O HIS A 52 5.751 7.085 3.336 1.00 0.00 O ATOM 788 CB HIS A 52 3.651 7.813 0.817 1.00 0.00 C ATOM 789 CG HIS A 52 4.708 6.923 0.209 1.00 0.00 C ATOM 790 ND1 HIS A 52 5.931 7.402 -0.225 1.00 0.00 N ATOM 791 CD2 HIS A 52 4.713 5.581 -0.031 1.00 0.00 C ATOM 792 CE1 HIS A 52 6.633 6.384 -0.704 1.00 0.00 C ATOM 793 NE2 HIS A 52 5.875 5.257 -0.583 1.00 0.00 N ATOM 0 H HIS A 52 5.753 9.220 2.709 1.00 0.00 H new ATOM 0 HA HIS A 52 2.996 8.528 2.693 1.00 0.00 H new ATOM 0 HB2 HIS A 52 2.696 7.288 0.802 1.00 0.00 H new ATOM 0 HB3 HIS A 52 3.537 8.701 0.195 1.00 0.00 H new ATOM 0 HD2 HIS A 52 3.907 4.897 0.191 1.00 0.00 H new ATOM 0 HE1 HIS A 52 7.629 6.438 -1.117 1.00 0.00 H new ATOM 0 HE2 HIS A 52 6.155 4.319 -0.870 1.00 0.00 H new ATOM 802 N HIS A 53 3.666 6.234 3.541 1.00 0.00 N ATOM 803 CA HIS A 53 4.086 5.110 4.360 1.00 0.00 C ATOM 804 C HIS A 53 3.205 3.895 4.056 1.00 0.00 C ATOM 805 O HIS A 53 3.208 2.919 4.803 1.00 0.00 O ATOM 806 CB HIS A 53 4.083 5.487 5.843 1.00 0.00 C ATOM 807 CG HIS A 53 4.338 4.325 6.772 1.00 0.00 C ATOM 808 ND1 HIS A 53 3.321 3.648 7.423 1.00 0.00 N ATOM 809 CD2 HIS A 53 5.504 3.727 7.154 1.00 0.00 C ATOM 810 CE1 HIS A 53 3.862 2.689 8.160 1.00 0.00 C ATOM 811 NE2 HIS A 53 5.215 2.740 7.992 1.00 0.00 N ATOM 0 H HIS A 53 2.666 6.269 3.345 1.00 0.00 H new ATOM 0 HA HIS A 53 5.113 4.841 4.115 1.00 0.00 H new ATOM 0 HB2 HIS A 53 4.842 6.250 6.015 1.00 0.00 H new ATOM 0 HB3 HIS A 53 3.120 5.934 6.092 1.00 0.00 H new ATOM 0 HD2 HIS A 53 6.494 4.010 6.829 1.00 0.00 H new ATOM 0 HE1 HIS A 53 3.326 1.990 8.784 1.00 0.00 H new ATOM 0 HE2 HIS A 53 5.893 2.121 8.437 1.00 0.00 H new ATOM 820 N LEU A 54 2.472 3.997 2.957 1.00 0.00 N ATOM 821 CA LEU A 54 1.588 2.920 2.544 1.00 0.00 C ATOM 822 C LEU A 54 1.348 3.013 1.037 1.00 0.00 C ATOM 823 O LEU A 54 1.080 4.092 0.512 1.00 0.00 O ATOM 824 CB LEU A 54 0.303 2.934 3.374 1.00 0.00 C ATOM 825 CG LEU A 54 0.166 1.824 4.417 1.00 0.00 C ATOM 826 CD1 LEU A 54 0.308 2.383 5.834 1.00 0.00 C ATOM 827 CD2 LEU A 54 -1.145 1.057 4.233 1.00 0.00 C ATOM 0 H LEU A 54 2.472 4.809 2.340 1.00 0.00 H new ATOM 0 HA LEU A 54 2.052 1.952 2.734 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.234 3.895 3.884 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.546 2.873 2.693 1.00 0.00 H new ATOM 0 HG LEU A 54 0.979 1.113 4.268 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.207 1.573 6.556 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.288 2.848 5.945 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.469 3.127 6.011 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.217 0.274 4.987 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.986 1.742 4.340 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.167 0.608 3.240 1.00 0.00 H new ATOM 839 N VAL A 55 1.454 1.866 0.381 1.00 0.00 N ATOM 840 CA VAL A 55 1.253 1.804 -1.056 1.00 0.00 C ATOM 841 C VAL A 55 0.315 0.640 -1.386 1.00 0.00 C ATOM 842 O VAL A 55 0.758 -0.499 -1.524 1.00 0.00 O ATOM 843 CB VAL A 55 2.601 1.705 -1.771 1.00 0.00 C ATOM 844 CG1 VAL A 55 2.429 1.822 -3.287 1.00 0.00 C ATOM 845 CG2 VAL A 55 3.578 2.760 -1.247 1.00 0.00 C ATOM 0 H VAL A 55 1.677 0.972 0.819 1.00 0.00 H new ATOM 0 HA VAL A 55 0.778 2.717 -1.414 1.00 0.00 H new ATOM 0 HB VAL A 55 3.022 0.722 -1.557 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.403 1.748 -3.770 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.785 1.018 -3.643 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.976 2.783 -3.529 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.529 2.668 -1.772 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.165 3.754 -1.416 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.737 2.610 -0.179 1.00 0.00 H new ATOM 855 N ILE A 56 -0.964 0.966 -1.501 1.00 0.00 N ATOM 856 CA ILE A 56 -1.968 -0.037 -1.811 1.00 0.00 C ATOM 857 C ILE A 56 -2.566 0.254 -3.188 1.00 0.00 C ATOM 858 O ILE A 56 -2.838 1.408 -3.519 1.00 0.00 O ATOM 859 CB ILE A 56 -3.009 -0.118 -0.693 1.00 0.00 C ATOM 860 CG1 ILE A 56 -4.248 0.712 -1.036 1.00 0.00 C ATOM 861 CG2 ILE A 56 -2.402 0.288 0.652 1.00 0.00 C ATOM 862 CD1 ILE A 56 -5.242 0.719 0.127 1.00 0.00 C ATOM 0 H ILE A 56 -1.328 1.912 -1.385 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.513 -1.026 -1.863 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.331 -1.155 -0.601 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.952 1.734 -1.272 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -4.727 0.305 -1.926 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.163 0.222 1.430 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.576 -0.380 0.895 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.034 1.312 0.591 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -6.113 1.316 -0.143 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -5.555 -0.302 0.344 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.767 1.149 1.009 1.00 0.00 H new ATOM 874 N SER A 57 -2.754 -0.810 -3.954 1.00 0.00 N ATOM 875 CA SER A 57 -3.315 -0.682 -5.289 1.00 0.00 C ATOM 876 C SER A 57 -4.212 -1.884 -5.596 1.00 0.00 C ATOM 877 O SER A 57 -4.239 -2.852 -4.838 1.00 0.00 O ATOM 878 CB SER A 57 -2.212 -0.560 -6.341 1.00 0.00 C ATOM 879 OG SER A 57 -2.680 -0.889 -7.646 1.00 0.00 O ATOM 0 H SER A 57 -2.528 -1.765 -3.676 1.00 0.00 H new ATOM 0 HA SER A 57 -3.913 0.229 -5.323 1.00 0.00 H new ATOM 0 HB2 SER A 57 -1.823 0.458 -6.342 1.00 0.00 H new ATOM 0 HB3 SER A 57 -1.384 -1.218 -6.076 1.00 0.00 H new ATOM 0 HG SER A 57 -1.946 -0.797 -8.289 1.00 0.00 H new ATOM 885 N ASP A 58 -4.922 -1.781 -6.710 1.00 0.00 N ATOM 886 CA ASP A 58 -5.817 -2.847 -7.126 1.00 0.00 C ATOM 887 C ASP A 58 -5.107 -3.732 -8.153 1.00 0.00 C ATOM 888 O ASP A 58 -3.912 -3.570 -8.395 1.00 0.00 O ATOM 889 CB ASP A 58 -7.078 -2.282 -7.783 1.00 0.00 C ATOM 890 CG ASP A 58 -8.396 -2.822 -7.224 1.00 0.00 C ATOM 891 OD1 ASP A 58 -8.388 -3.220 -6.038 1.00 0.00 O ATOM 892 OD2 ASP A 58 -9.381 -2.825 -7.993 1.00 0.00 O ATOM 0 H ASP A 58 -4.896 -0.977 -7.337 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.095 -3.418 -6.240 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.072 -1.198 -7.674 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.039 -2.495 -8.851 1.00 0.00 H new ATOM 897 N PHE A 59 -5.872 -4.648 -8.728 1.00 0.00 N ATOM 898 CA PHE A 59 -5.330 -5.558 -9.723 1.00 0.00 C ATOM 899 C PHE A 59 -6.020 -5.366 -11.075 1.00 0.00 C ATOM 900 O PHE A 59 -5.937 -6.230 -11.947 1.00 0.00 O ATOM 901 CB PHE A 59 -5.600 -6.979 -9.223 1.00 0.00 C ATOM 902 CG PHE A 59 -7.004 -7.180 -8.649 1.00 0.00 C ATOM 903 CD1 PHE A 59 -8.039 -6.423 -9.102 1.00 0.00 C ATOM 904 CD2 PHE A 59 -7.217 -8.117 -7.686 1.00 0.00 C ATOM 905 CE1 PHE A 59 -9.342 -6.611 -8.571 1.00 0.00 C ATOM 906 CE2 PHE A 59 -8.520 -8.304 -7.155 1.00 0.00 C ATOM 907 CZ PHE A 59 -9.555 -7.547 -7.608 1.00 0.00 C ATOM 0 H PHE A 59 -6.863 -4.780 -8.524 1.00 0.00 H new ATOM 0 HA PHE A 59 -4.265 -5.370 -9.859 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -5.452 -7.677 -10.047 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.866 -7.229 -8.457 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -7.870 -5.679 -9.866 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -6.395 -8.718 -7.326 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -10.164 -6.011 -8.932 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -8.690 -9.048 -6.391 1.00 0.00 H new ATOM 0 HZ PHE A 59 -10.546 -7.689 -7.203 1.00 0.00 H new ATOM 917 N ASN A 60 -6.687 -4.229 -11.207 1.00 0.00 N ATOM 918 CA ASN A 60 -7.391 -3.914 -12.438 1.00 0.00 C ATOM 919 C ASN A 60 -6.393 -3.882 -13.598 1.00 0.00 C ATOM 920 O ASN A 60 -6.275 -4.851 -14.346 1.00 0.00 O ATOM 921 CB ASN A 60 -8.061 -2.540 -12.354 1.00 0.00 C ATOM 922 CG ASN A 60 -9.585 -2.672 -12.366 1.00 0.00 C ATOM 923 OD1 ASN A 60 -10.268 -2.197 -13.258 1.00 0.00 O ATOM 924 ND2 ASN A 60 -10.078 -3.341 -11.328 1.00 0.00 N ATOM 0 H ASN A 60 -6.755 -3.515 -10.482 1.00 0.00 H new ATOM 0 HA ASN A 60 -8.152 -4.678 -12.595 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -7.744 -2.032 -11.444 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -7.739 -1.923 -13.193 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -11.085 -3.482 -11.244 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -9.450 -3.713 -10.616 1.00 0.00 H new ATOM 931 N MET A 61 -5.701 -2.758 -13.710 1.00 0.00 N ATOM 932 CA MET A 61 -4.717 -2.588 -14.766 1.00 0.00 C ATOM 933 C MET A 61 -3.676 -1.534 -14.380 1.00 0.00 C ATOM 934 O MET A 61 -3.369 -0.642 -15.170 1.00 0.00 O ATOM 935 CB MET A 61 -5.420 -2.162 -16.056 1.00 0.00 C ATOM 936 CG MET A 61 -6.848 -2.711 -16.107 1.00 0.00 C ATOM 937 SD MET A 61 -7.698 -2.066 -17.539 1.00 0.00 S ATOM 938 CE MET A 61 -9.335 -2.711 -17.244 1.00 0.00 C ATOM 0 H MET A 61 -5.802 -1.956 -13.087 1.00 0.00 H new ATOM 0 HA MET A 61 -4.206 -3.539 -14.917 1.00 0.00 H new ATOM 0 HB2 MET A 61 -5.442 -1.074 -16.121 1.00 0.00 H new ATOM 0 HB3 MET A 61 -4.857 -2.521 -16.917 1.00 0.00 H new ATOM 0 HG2 MET A 61 -6.827 -3.800 -16.146 1.00 0.00 H new ATOM 0 HG3 MET A 61 -7.385 -2.435 -15.200 1.00 0.00 H new ATOM 0 HE1 MET A 61 -9.999 -2.400 -18.050 1.00 0.00 H new ATOM 0 HE2 MET A 61 -9.296 -3.800 -17.205 1.00 0.00 H new ATOM 0 HE3 MET A 61 -9.712 -2.328 -16.296 1.00 0.00 H new ATOM 948 N PRO A 62 -3.149 -1.676 -13.134 1.00 0.00 N ATOM 949 CA PRO A 62 -2.149 -0.747 -12.635 1.00 0.00 C ATOM 950 C PRO A 62 -0.787 -1.009 -13.279 1.00 0.00 C ATOM 951 O PRO A 62 -0.372 -2.159 -13.418 1.00 0.00 O ATOM 952 CB PRO A 62 -2.143 -0.949 -11.129 1.00 0.00 C ATOM 953 CG PRO A 62 -2.797 -2.299 -10.886 1.00 0.00 C ATOM 954 CD PRO A 62 -3.489 -2.719 -12.173 1.00 0.00 C ATOM 0 HA PRO A 62 -2.376 0.290 -12.884 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -1.126 -0.932 -10.737 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -2.692 -0.153 -10.626 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -2.051 -3.038 -10.595 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -3.516 -2.234 -10.069 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -3.141 -3.696 -12.509 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -4.568 -2.795 -12.036 1.00 0.00 H new ATOM 962 N LYS A 63 -0.127 0.077 -13.656 1.00 0.00 N ATOM 963 CA LYS A 63 1.181 -0.021 -14.281 1.00 0.00 C ATOM 964 C LYS A 63 2.232 -0.327 -13.213 1.00 0.00 C ATOM 965 O LYS A 63 3.318 -0.811 -13.526 1.00 0.00 O ATOM 966 CB LYS A 63 1.480 1.238 -15.097 1.00 0.00 C ATOM 967 CG LYS A 63 0.681 1.250 -16.401 1.00 0.00 C ATOM 968 CD LYS A 63 0.996 0.017 -17.249 1.00 0.00 C ATOM 969 CE LYS A 63 1.007 0.364 -18.739 1.00 0.00 C ATOM 970 NZ LYS A 63 1.976 -0.490 -19.463 1.00 0.00 N ATOM 0 H LYS A 63 -0.474 1.029 -13.540 1.00 0.00 H new ATOM 0 HA LYS A 63 1.202 -0.846 -14.993 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.236 2.123 -14.509 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.546 1.287 -15.319 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.385 1.279 -16.178 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.913 2.153 -16.966 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.965 -0.390 -16.960 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.255 -0.759 -17.058 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.010 0.228 -19.157 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.268 1.414 -18.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.971 -0.242 -20.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.929 -0.340 -19.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.710 -1.489 -19.351 1.00 0.00 H new ATOM 984 N MET A 64 1.871 -0.033 -11.972 1.00 0.00 N ATOM 985 CA MET A 64 2.769 -0.271 -10.855 1.00 0.00 C ATOM 986 C MET A 64 2.034 -0.944 -9.695 1.00 0.00 C ATOM 987 O MET A 64 1.633 -0.280 -8.741 1.00 0.00 O ATOM 988 CB MET A 64 3.360 1.059 -10.383 1.00 0.00 C ATOM 989 CG MET A 64 4.858 0.928 -10.109 1.00 0.00 C ATOM 990 SD MET A 64 5.718 0.491 -11.612 1.00 0.00 S ATOM 991 CE MET A 64 7.228 1.416 -11.386 1.00 0.00 C ATOM 0 H MET A 64 0.969 0.368 -11.716 1.00 0.00 H new ATOM 0 HA MET A 64 3.567 -0.935 -11.189 1.00 0.00 H new ATOM 0 HB2 MET A 64 3.191 1.825 -11.140 1.00 0.00 H new ATOM 0 HB3 MET A 64 2.849 1.387 -9.478 1.00 0.00 H new ATOM 0 HG2 MET A 64 5.248 1.867 -9.717 1.00 0.00 H new ATOM 0 HG3 MET A 64 5.032 0.168 -9.347 1.00 0.00 H new ATOM 0 HE1 MET A 64 7.763 1.476 -12.334 1.00 0.00 H new ATOM 0 HE2 MET A 64 6.990 2.422 -11.039 1.00 0.00 H new ATOM 0 HE3 MET A 64 7.854 0.916 -10.647 1.00 0.00 H new ATOM 1001 N ASP A 65 1.881 -2.255 -9.815 1.00 0.00 N ATOM 1002 CA ASP A 65 1.202 -3.025 -8.787 1.00 0.00 C ATOM 1003 C ASP A 65 2.140 -3.215 -7.593 1.00 0.00 C ATOM 1004 O ASP A 65 3.314 -2.855 -7.659 1.00 0.00 O ATOM 1005 CB ASP A 65 0.810 -4.411 -9.305 1.00 0.00 C ATOM 1006 CG ASP A 65 0.006 -5.265 -8.324 1.00 0.00 C ATOM 1007 OD1 ASP A 65 -0.891 -4.688 -7.673 1.00 0.00 O ATOM 1008 OD2 ASP A 65 0.306 -6.477 -8.248 1.00 0.00 O ATOM 0 H ASP A 65 2.215 -2.803 -10.608 1.00 0.00 H new ATOM 0 HA ASP A 65 0.303 -2.480 -8.497 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.228 -4.289 -10.219 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.717 -4.951 -9.574 1.00 0.00 H new ATOM 1013 N GLY A 66 1.587 -3.781 -6.530 1.00 0.00 N ATOM 1014 CA GLY A 66 2.360 -4.023 -5.324 1.00 0.00 C ATOM 1015 C GLY A 66 3.818 -4.340 -5.662 1.00 0.00 C ATOM 1016 O GLY A 66 4.729 -3.645 -5.213 1.00 0.00 O ATOM 0 H GLY A 66 0.613 -4.079 -6.479 1.00 0.00 H new ATOM 0 HA2 GLY A 66 2.315 -3.147 -4.677 1.00 0.00 H new ATOM 0 HA3 GLY A 66 1.923 -4.853 -4.768 1.00 0.00 H new ATOM 1020 N LEU A 67 3.995 -5.390 -6.450 1.00 0.00 N ATOM 1021 CA LEU A 67 5.327 -5.808 -6.853 1.00 0.00 C ATOM 1022 C LEU A 67 6.023 -4.652 -7.574 1.00 0.00 C ATOM 1023 O LEU A 67 7.187 -4.360 -7.306 1.00 0.00 O ATOM 1024 CB LEU A 67 5.257 -7.095 -7.678 1.00 0.00 C ATOM 1025 CG LEU A 67 4.667 -8.315 -6.969 1.00 0.00 C ATOM 1026 CD1 LEU A 67 5.373 -9.599 -7.411 1.00 0.00 C ATOM 1027 CD2 LEU A 67 4.699 -8.137 -5.451 1.00 0.00 C ATOM 0 H LEU A 67 3.238 -5.964 -6.820 1.00 0.00 H new ATOM 0 HA LEU A 67 5.932 -6.049 -5.979 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.666 -6.898 -8.572 1.00 0.00 H new ATOM 0 HB3 LEU A 67 6.264 -7.345 -8.011 1.00 0.00 H new ATOM 0 HG LEU A 67 3.620 -8.406 -7.259 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.935 -10.452 -6.893 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.254 -9.728 -8.487 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.434 -9.533 -7.169 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.274 -9.019 -4.972 1.00 0.00 H new ATOM 0 HD22 LEU A 67 5.730 -8.007 -5.122 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.116 -7.258 -5.175 1.00 0.00 H new ATOM 1039 N GLY A 68 5.280 -4.024 -8.474 1.00 0.00 N ATOM 1040 CA GLY A 68 5.812 -2.906 -9.235 1.00 0.00 C ATOM 1041 C GLY A 68 6.332 -1.809 -8.305 1.00 0.00 C ATOM 1042 O GLY A 68 7.405 -1.252 -8.536 1.00 0.00 O ATOM 0 H GLY A 68 4.314 -4.268 -8.693 1.00 0.00 H new ATOM 0 HA2 GLY A 68 6.618 -3.252 -9.882 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.035 -2.500 -9.883 1.00 0.00 H new ATOM 1046 N LEU A 69 5.549 -1.530 -7.274 1.00 0.00 N ATOM 1047 CA LEU A 69 5.918 -0.509 -6.309 1.00 0.00 C ATOM 1048 C LEU A 69 7.189 -0.941 -5.576 1.00 0.00 C ATOM 1049 O LEU A 69 8.064 -0.120 -5.304 1.00 0.00 O ATOM 1050 CB LEU A 69 4.743 -0.205 -5.376 1.00 0.00 C ATOM 1051 CG LEU A 69 3.427 0.177 -6.057 1.00 0.00 C ATOM 1052 CD1 LEU A 69 2.247 -0.552 -5.413 1.00 0.00 C ATOM 1053 CD2 LEU A 69 3.232 1.693 -6.063 1.00 0.00 C ATOM 0 H LEU A 69 4.660 -1.993 -7.086 1.00 0.00 H new ATOM 0 HA LEU A 69 6.145 0.429 -6.815 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.565 -1.080 -4.751 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.034 0.608 -4.711 1.00 0.00 H new ATOM 0 HG LEU A 69 3.474 -0.143 -7.098 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.323 -0.264 -5.915 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.390 -1.629 -5.506 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.186 -0.284 -4.358 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.289 1.937 -6.553 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.214 2.062 -5.037 1.00 0.00 H new ATOM 0 HD23 LEU A 69 4.054 2.163 -6.603 1.00 0.00 H new ATOM 1065 N LEU A 70 7.252 -2.231 -5.276 1.00 0.00 N ATOM 1066 CA LEU A 70 8.401 -2.782 -4.579 1.00 0.00 C ATOM 1067 C LEU A 70 9.659 -2.557 -5.421 1.00 0.00 C ATOM 1068 O LEU A 70 10.672 -2.078 -4.915 1.00 0.00 O ATOM 1069 CB LEU A 70 8.157 -4.249 -4.220 1.00 0.00 C ATOM 1070 CG LEU A 70 8.997 -5.276 -4.982 1.00 0.00 C ATOM 1071 CD1 LEU A 70 10.490 -5.063 -4.722 1.00 0.00 C ATOM 1072 CD2 LEU A 70 8.555 -6.702 -4.649 1.00 0.00 C ATOM 0 H LEU A 70 6.525 -2.910 -5.503 1.00 0.00 H new ATOM 0 HA LEU A 70 8.554 -2.266 -3.631 1.00 0.00 H new ATOM 0 HB2 LEU A 70 8.343 -4.377 -3.154 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.104 -4.473 -4.389 1.00 0.00 H new ATOM 0 HG LEU A 70 8.831 -5.129 -6.049 1.00 0.00 H new ATOM 0 HD11 LEU A 70 11.065 -5.806 -5.275 1.00 0.00 H new ATOM 0 HD12 LEU A 70 10.777 -4.064 -5.050 1.00 0.00 H new ATOM 0 HD13 LEU A 70 10.692 -5.168 -3.656 1.00 0.00 H new ATOM 0 HD21 LEU A 70 9.168 -7.412 -5.204 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.673 -6.879 -3.580 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.509 -6.833 -4.926 1.00 0.00 H new ATOM 1084 N GLN A 71 9.552 -2.911 -6.693 1.00 0.00 N ATOM 1085 CA GLN A 71 10.668 -2.754 -7.611 1.00 0.00 C ATOM 1086 C GLN A 71 11.123 -1.294 -7.647 1.00 0.00 C ATOM 1087 O GLN A 71 12.313 -1.014 -7.769 1.00 0.00 O ATOM 1088 CB GLN A 71 10.300 -3.249 -9.011 1.00 0.00 C ATOM 1089 CG GLN A 71 10.422 -4.772 -9.103 1.00 0.00 C ATOM 1090 CD GLN A 71 10.837 -5.205 -10.511 1.00 0.00 C ATOM 1091 OE1 GLN A 71 10.056 -5.195 -11.448 1.00 0.00 O ATOM 1092 NE2 GLN A 71 12.109 -5.584 -10.607 1.00 0.00 N ATOM 0 H GLN A 71 8.709 -3.306 -7.110 1.00 0.00 H new ATOM 0 HA GLN A 71 11.497 -3.364 -7.253 1.00 0.00 H new ATOM 0 HB2 GLN A 71 9.281 -2.947 -9.251 1.00 0.00 H new ATOM 0 HB3 GLN A 71 10.953 -2.783 -9.749 1.00 0.00 H new ATOM 0 HG2 GLN A 71 11.156 -5.126 -8.379 1.00 0.00 H new ATOM 0 HG3 GLN A 71 9.469 -5.233 -8.843 1.00 0.00 H new ATOM 0 HE21 GLN A 71 12.709 -5.568 -9.783 1.00 0.00 H new ATOM 0 HE22 GLN A 71 12.484 -5.890 -11.505 1.00 0.00 H new ATOM 1101 N ALA A 72 10.149 -0.401 -7.541 1.00 0.00 N ATOM 1102 CA ALA A 72 10.434 1.024 -7.560 1.00 0.00 C ATOM 1103 C ALA A 72 11.215 1.400 -6.300 1.00 0.00 C ATOM 1104 O ALA A 72 12.211 2.118 -6.374 1.00 0.00 O ATOM 1105 CB ALA A 72 9.125 1.804 -7.691 1.00 0.00 C ATOM 0 H ALA A 72 9.162 -0.637 -7.442 1.00 0.00 H new ATOM 0 HA ALA A 72 11.053 1.281 -8.419 1.00 0.00 H new ATOM 0 HB1 ALA A 72 9.338 2.873 -7.705 1.00 0.00 H new ATOM 0 HB2 ALA A 72 8.624 1.521 -8.617 1.00 0.00 H new ATOM 0 HB3 ALA A 72 8.478 1.574 -6.844 1.00 0.00 H new ATOM 1111 N VAL A 73 10.733 0.898 -5.172 1.00 0.00 N ATOM 1112 CA VAL A 73 11.373 1.174 -3.896 1.00 0.00 C ATOM 1113 C VAL A 73 12.841 0.748 -3.966 1.00 0.00 C ATOM 1114 O VAL A 73 13.709 1.401 -3.389 1.00 0.00 O ATOM 1115 CB VAL A 73 10.603 0.488 -2.766 1.00 0.00 C ATOM 1116 CG1 VAL A 73 9.093 0.610 -2.979 1.00 0.00 C ATOM 1117 CG2 VAL A 73 11.021 -0.978 -2.629 1.00 0.00 C ATOM 0 H VAL A 73 9.907 0.302 -5.115 1.00 0.00 H new ATOM 0 HA VAL A 73 11.355 2.242 -3.681 1.00 0.00 H new ATOM 0 HB VAL A 73 10.852 0.996 -1.834 1.00 0.00 H new ATOM 0 HG11 VAL A 73 8.569 0.114 -2.162 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.813 1.663 -3.003 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.820 0.140 -3.924 1.00 0.00 H new ATOM 0 HG21 VAL A 73 10.459 -1.442 -1.819 1.00 0.00 H new ATOM 0 HG22 VAL A 73 10.815 -1.504 -3.561 1.00 0.00 H new ATOM 0 HG23 VAL A 73 12.087 -1.033 -2.409 1.00 0.00 H new ATOM 1127 N ARG A 74 13.074 -0.346 -4.675 1.00 0.00 N ATOM 1128 CA ARG A 74 14.421 -0.868 -4.827 1.00 0.00 C ATOM 1129 C ARG A 74 15.316 0.165 -5.515 1.00 0.00 C ATOM 1130 O ARG A 74 16.540 0.102 -5.406 1.00 0.00 O ATOM 1131 CB ARG A 74 14.423 -2.161 -5.646 1.00 0.00 C ATOM 1132 CG ARG A 74 14.192 -3.378 -4.749 1.00 0.00 C ATOM 1133 CD ARG A 74 14.709 -4.656 -5.414 1.00 0.00 C ATOM 1134 NE ARG A 74 15.419 -5.492 -4.421 1.00 0.00 N ATOM 1135 CZ ARG A 74 15.915 -6.709 -4.682 1.00 0.00 C ATOM 1136 NH1 ARG A 74 15.781 -7.240 -5.905 1.00 0.00 N ATOM 1137 NH2 ARG A 74 16.545 -7.397 -3.719 1.00 0.00 N ATOM 0 H ARG A 74 12.352 -0.886 -5.151 1.00 0.00 H new ATOM 0 HA ARG A 74 14.807 -1.083 -3.831 1.00 0.00 H new ATOM 0 HB2 ARG A 74 13.646 -2.114 -6.409 1.00 0.00 H new ATOM 0 HB3 ARG A 74 15.375 -2.264 -6.167 1.00 0.00 H new ATOM 0 HG2 ARG A 74 14.696 -3.231 -3.794 1.00 0.00 H new ATOM 0 HG3 ARG A 74 13.128 -3.480 -4.535 1.00 0.00 H new ATOM 0 HD2 ARG A 74 13.877 -5.214 -5.843 1.00 0.00 H new ATOM 0 HD3 ARG A 74 15.380 -4.403 -6.235 1.00 0.00 H new ATOM 0 HE ARG A 74 15.538 -5.119 -3.479 1.00 0.00 H new ATOM 0 HH11 ARG A 74 15.301 -6.718 -6.638 1.00 0.00 H new ATOM 0 HH12 ARG A 74 16.159 -8.167 -6.103 1.00 0.00 H new ATOM 0 HH21 ARG A 74 16.647 -6.994 -2.788 1.00 0.00 H new ATOM 0 HH22 ARG A 74 16.923 -8.323 -3.918 1.00 0.00 H new ATOM 1151 N ALA A 75 14.671 1.091 -6.207 1.00 0.00 N ATOM 1152 CA ALA A 75 15.392 2.137 -6.913 1.00 0.00 C ATOM 1153 C ALA A 75 15.339 3.429 -6.096 1.00 0.00 C ATOM 1154 O ALA A 75 16.179 4.311 -6.266 1.00 0.00 O ATOM 1155 CB ALA A 75 14.801 2.309 -8.314 1.00 0.00 C ATOM 0 H ALA A 75 13.656 1.139 -6.294 1.00 0.00 H new ATOM 0 HA ALA A 75 16.441 1.865 -7.032 1.00 0.00 H new ATOM 0 HB1 ALA A 75 15.342 3.094 -8.843 1.00 0.00 H new ATOM 0 HB2 ALA A 75 14.890 1.372 -8.864 1.00 0.00 H new ATOM 0 HB3 ALA A 75 13.749 2.584 -8.234 1.00 0.00 H new ATOM 1161 N ASN A 76 14.341 3.500 -5.225 1.00 0.00 N ATOM 1162 CA ASN A 76 14.168 4.669 -4.380 1.00 0.00 C ATOM 1163 C ASN A 76 14.011 4.224 -2.925 1.00 0.00 C ATOM 1164 O ASN A 76 13.017 3.594 -2.569 1.00 0.00 O ATOM 1165 CB ASN A 76 12.912 5.451 -4.774 1.00 0.00 C ATOM 1166 CG ASN A 76 13.147 6.959 -4.662 1.00 0.00 C ATOM 1167 OD1 ASN A 76 14.239 7.424 -4.379 1.00 0.00 O ATOM 1168 ND2 ASN A 76 12.064 7.693 -4.898 1.00 0.00 N ATOM 0 H ASN A 76 13.645 2.767 -5.087 1.00 0.00 H new ATOM 0 HA ASN A 76 15.044 5.306 -4.502 1.00 0.00 H new ATOM 0 HB2 ASN A 76 12.628 5.199 -5.796 1.00 0.00 H new ATOM 0 HB3 ASN A 76 12.081 5.160 -4.131 1.00 0.00 H new ATOM 0 HD21 ASN A 76 12.116 8.710 -4.847 1.00 0.00 H new ATOM 0 HD22 ASN A 76 11.181 7.239 -5.130 1.00 0.00 H new ATOM 1175 N PRO A 77 15.036 4.577 -2.103 1.00 0.00 N ATOM 1176 CA PRO A 77 15.021 4.220 -0.695 1.00 0.00 C ATOM 1177 C PRO A 77 14.045 5.103 0.085 1.00 0.00 C ATOM 1178 O PRO A 77 13.818 4.885 1.274 1.00 0.00 O ATOM 1179 CB PRO A 77 16.461 4.378 -0.234 1.00 0.00 C ATOM 1180 CG PRO A 77 17.137 5.257 -1.273 1.00 0.00 C ATOM 1181 CD PRO A 77 16.229 5.323 -2.491 1.00 0.00 C ATOM 0 HA PRO A 77 14.670 3.202 -0.524 1.00 0.00 H new ATOM 0 HB2 PRO A 77 16.507 4.836 0.754 1.00 0.00 H new ATOM 0 HB3 PRO A 77 16.956 3.410 -0.160 1.00 0.00 H new ATOM 0 HG2 PRO A 77 17.312 6.256 -0.873 1.00 0.00 H new ATOM 0 HG3 PRO A 77 18.110 4.848 -1.544 1.00 0.00 H new ATOM 0 HD2 PRO A 77 15.985 6.354 -2.748 1.00 0.00 H new ATOM 0 HD3 PRO A 77 16.706 4.880 -3.365 1.00 0.00 H new ATOM 1189 N ALA A 78 13.492 6.082 -0.617 1.00 0.00 N ATOM 1190 CA ALA A 78 12.545 6.999 -0.005 1.00 0.00 C ATOM 1191 C ALA A 78 11.214 6.278 0.217 1.00 0.00 C ATOM 1192 O ALA A 78 10.521 6.535 1.201 1.00 0.00 O ATOM 1193 CB ALA A 78 12.395 8.241 -0.887 1.00 0.00 C ATOM 0 H ALA A 78 13.682 6.260 -1.603 1.00 0.00 H new ATOM 0 HA ALA A 78 12.906 7.331 0.968 1.00 0.00 H new ATOM 0 HB1 ALA A 78 11.685 8.929 -0.429 1.00 0.00 H new ATOM 0 HB2 ALA A 78 13.362 8.733 -0.990 1.00 0.00 H new ATOM 0 HB3 ALA A 78 12.031 7.946 -1.871 1.00 0.00 H new ATOM 1199 N THR A 79 10.898 5.389 -0.713 1.00 0.00 N ATOM 1200 CA THR A 79 9.661 4.629 -0.631 1.00 0.00 C ATOM 1201 C THR A 79 9.938 3.216 -0.113 1.00 0.00 C ATOM 1202 O THR A 79 9.039 2.377 -0.077 1.00 0.00 O ATOM 1203 CB THR A 79 8.999 4.652 -2.010 1.00 0.00 C ATOM 1204 OG1 THR A 79 7.700 4.116 -1.780 1.00 0.00 O ATOM 1205 CG2 THR A 79 9.644 3.664 -2.985 1.00 0.00 C ATOM 0 H THR A 79 11.476 5.178 -1.526 1.00 0.00 H new ATOM 0 HA THR A 79 8.969 5.074 0.084 1.00 0.00 H new ATOM 0 HB THR A 79 9.055 5.659 -2.424 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.032 4.672 -2.233 1.00 0.00 H new ATOM 0 HG21 THR A 79 9.137 3.720 -3.948 1.00 0.00 H new ATOM 0 HG22 THR A 79 10.697 3.915 -3.114 1.00 0.00 H new ATOM 0 HG23 THR A 79 9.558 2.652 -2.588 1.00 0.00 H new ATOM 1213 N LYS A 80 11.186 2.996 0.275 1.00 0.00 N ATOM 1214 CA LYS A 80 11.593 1.699 0.789 1.00 0.00 C ATOM 1215 C LYS A 80 11.046 1.524 2.207 1.00 0.00 C ATOM 1216 O LYS A 80 11.130 0.437 2.778 1.00 0.00 O ATOM 1217 CB LYS A 80 13.110 1.535 0.689 1.00 0.00 C ATOM 1218 CG LYS A 80 13.820 2.317 1.797 1.00 0.00 C ATOM 1219 CD LYS A 80 14.331 1.378 2.890 1.00 0.00 C ATOM 1220 CE LYS A 80 15.795 1.005 2.653 1.00 0.00 C ATOM 1221 NZ LYS A 80 15.894 -0.325 2.012 1.00 0.00 N ATOM 0 H LYS A 80 11.929 3.694 0.244 1.00 0.00 H new ATOM 0 HA LYS A 80 11.170 0.898 0.183 1.00 0.00 H new ATOM 0 HB2 LYS A 80 13.371 0.479 0.760 1.00 0.00 H new ATOM 0 HB3 LYS A 80 13.454 1.884 -0.285 1.00 0.00 H new ATOM 0 HG2 LYS A 80 14.654 2.877 1.374 1.00 0.00 H new ATOM 0 HG3 LYS A 80 13.134 3.045 2.230 1.00 0.00 H new ATOM 0 HD2 LYS A 80 14.227 1.857 3.864 1.00 0.00 H new ATOM 0 HD3 LYS A 80 13.721 0.475 2.913 1.00 0.00 H new ATOM 0 HE2 LYS A 80 16.270 1.756 2.021 1.00 0.00 H new ATOM 0 HE3 LYS A 80 16.333 0.999 3.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 16.895 -0.563 1.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 15.459 -1.041 2.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 15.398 -0.308 1.098 1.00 0.00 H new ATOM 1235 N LYS A 81 10.499 2.608 2.735 1.00 0.00 N ATOM 1236 CA LYS A 81 9.940 2.588 4.076 1.00 0.00 C ATOM 1237 C LYS A 81 8.413 2.617 3.987 1.00 0.00 C ATOM 1238 O LYS A 81 7.731 2.751 5.002 1.00 0.00 O ATOM 1239 CB LYS A 81 10.528 3.721 4.919 1.00 0.00 C ATOM 1240 CG LYS A 81 10.051 5.084 4.416 1.00 0.00 C ATOM 1241 CD LYS A 81 9.174 5.778 5.460 1.00 0.00 C ATOM 1242 CE LYS A 81 8.285 6.840 4.810 1.00 0.00 C ATOM 1243 NZ LYS A 81 8.767 8.198 5.150 1.00 0.00 N ATOM 0 H LYS A 81 10.431 3.507 2.258 1.00 0.00 H new ATOM 0 HA LYS A 81 10.213 1.666 4.589 1.00 0.00 H new ATOM 0 HB2 LYS A 81 10.237 3.592 5.961 1.00 0.00 H new ATOM 0 HB3 LYS A 81 11.617 3.677 4.884 1.00 0.00 H new ATOM 0 HG2 LYS A 81 10.912 5.711 4.184 1.00 0.00 H new ATOM 0 HG3 LYS A 81 9.490 4.958 3.490 1.00 0.00 H new ATOM 0 HD2 LYS A 81 8.553 5.040 5.967 1.00 0.00 H new ATOM 0 HD3 LYS A 81 9.804 6.241 6.220 1.00 0.00 H new ATOM 0 HE2 LYS A 81 8.283 6.709 3.728 1.00 0.00 H new ATOM 0 HE3 LYS A 81 7.256 6.718 5.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 8.067 8.674 5.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 9.672 8.128 5.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 8.901 8.747 4.277 1.00 0.00 H new ATOM 1257 N ALA A 82 7.921 2.490 2.764 1.00 0.00 N ATOM 1258 CA ALA A 82 6.486 2.500 2.529 1.00 0.00 C ATOM 1259 C ALA A 82 6.002 1.066 2.301 1.00 0.00 C ATOM 1260 O ALA A 82 6.545 0.349 1.464 1.00 0.00 O ATOM 1261 CB ALA A 82 6.168 3.417 1.347 1.00 0.00 C ATOM 0 H ALA A 82 8.490 2.380 1.925 1.00 0.00 H new ATOM 0 HA ALA A 82 5.957 2.893 3.397 1.00 0.00 H new ATOM 0 HB1 ALA A 82 5.092 3.424 1.171 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.506 4.429 1.570 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.679 3.052 0.456 1.00 0.00 H new ATOM 1267 N ALA A 83 4.983 0.693 3.063 1.00 0.00 N ATOM 1268 CA ALA A 83 4.418 -0.642 2.954 1.00 0.00 C ATOM 1269 C ALA A 83 3.308 -0.637 1.902 1.00 0.00 C ATOM 1270 O ALA A 83 2.329 0.097 2.031 1.00 0.00 O ATOM 1271 CB ALA A 83 3.920 -1.099 4.326 1.00 0.00 C ATOM 0 H ALA A 83 4.535 1.291 3.757 1.00 0.00 H new ATOM 0 HA ALA A 83 5.176 -1.354 2.629 1.00 0.00 H new ATOM 0 HB1 ALA A 83 3.496 -2.100 4.244 1.00 0.00 H new ATOM 0 HB2 ALA A 83 4.753 -1.114 5.029 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.155 -0.409 4.684 1.00 0.00 H new ATOM 1277 N PHE A 84 3.496 -1.465 0.885 1.00 0.00 N ATOM 1278 CA PHE A 84 2.523 -1.565 -0.188 1.00 0.00 C ATOM 1279 C PHE A 84 1.565 -2.735 0.048 1.00 0.00 C ATOM 1280 O PHE A 84 1.946 -3.746 0.635 1.00 0.00 O ATOM 1281 CB PHE A 84 3.304 -1.814 -1.480 1.00 0.00 C ATOM 1282 CG PHE A 84 4.824 -1.790 -1.302 1.00 0.00 C ATOM 1283 CD1 PHE A 84 5.457 -0.622 -1.016 1.00 0.00 C ATOM 1284 CD2 PHE A 84 5.541 -2.939 -1.430 1.00 0.00 C ATOM 1285 CE1 PHE A 84 6.867 -0.600 -0.850 1.00 0.00 C ATOM 1286 CE2 PHE A 84 6.951 -2.917 -1.265 1.00 0.00 C ATOM 1287 CZ PHE A 84 7.585 -1.749 -0.978 1.00 0.00 C ATOM 0 H PHE A 84 4.308 -2.073 0.782 1.00 0.00 H new ATOM 0 HA PHE A 84 1.932 -0.651 -0.240 1.00 0.00 H new ATOM 0 HB2 PHE A 84 3.011 -2.781 -1.889 1.00 0.00 H new ATOM 0 HB3 PHE A 84 3.022 -1.059 -2.214 1.00 0.00 H new ATOM 0 HD1 PHE A 84 4.887 0.290 -0.915 1.00 0.00 H new ATOM 0 HD2 PHE A 84 5.038 -3.867 -1.657 1.00 0.00 H new ATOM 0 HE1 PHE A 84 7.370 0.328 -0.622 1.00 0.00 H new ATOM 0 HE2 PHE A 84 7.520 -3.829 -1.368 1.00 0.00 H new ATOM 0 HZ PHE A 84 8.657 -1.733 -0.852 1.00 0.00 H new ATOM 1297 N ILE A 85 0.339 -2.559 -0.423 1.00 0.00 N ATOM 1298 CA ILE A 85 -0.676 -3.587 -0.271 1.00 0.00 C ATOM 1299 C ILE A 85 -1.172 -4.017 -1.653 1.00 0.00 C ATOM 1300 O ILE A 85 -1.418 -3.176 -2.517 1.00 0.00 O ATOM 1301 CB ILE A 85 -1.791 -3.105 0.661 1.00 0.00 C ATOM 1302 CG1 ILE A 85 -1.600 -3.658 2.075 1.00 0.00 C ATOM 1303 CG2 ILE A 85 -3.168 -3.451 0.091 1.00 0.00 C ATOM 1304 CD1 ILE A 85 -1.246 -2.540 3.057 1.00 0.00 C ATOM 0 H ILE A 85 0.026 -1.719 -0.910 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.254 -4.472 0.205 1.00 0.00 H new ATOM 0 HB ILE A 85 -1.734 -2.019 0.730 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -2.513 -4.157 2.400 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -0.809 -4.408 2.072 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -3.943 -3.098 0.772 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -3.291 -2.970 -0.880 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.252 -4.531 -0.026 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -1.116 -2.960 4.054 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -0.320 -2.059 2.742 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.050 -1.804 3.075 1.00 0.00 H new ATOM 1316 N ILE A 86 -1.306 -5.325 -1.819 1.00 0.00 N ATOM 1317 CA ILE A 86 -1.769 -5.876 -3.081 1.00 0.00 C ATOM 1318 C ILE A 86 -2.841 -6.933 -2.808 1.00 0.00 C ATOM 1319 O ILE A 86 -2.546 -7.996 -2.264 1.00 0.00 O ATOM 1320 CB ILE A 86 -0.588 -6.396 -3.903 1.00 0.00 C ATOM 1321 CG1 ILE A 86 -0.870 -6.278 -5.402 1.00 0.00 C ATOM 1322 CG2 ILE A 86 -0.225 -7.826 -3.499 1.00 0.00 C ATOM 1323 CD1 ILE A 86 -1.760 -7.425 -5.884 1.00 0.00 C ATOM 0 H ILE A 86 -1.102 -6.019 -1.100 1.00 0.00 H new ATOM 0 HA ILE A 86 -2.234 -5.100 -3.689 1.00 0.00 H new ATOM 0 HB ILE A 86 0.279 -5.771 -3.688 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.355 -5.324 -5.611 1.00 0.00 H new ATOM 0 HG13 ILE A 86 0.070 -6.285 -5.954 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.617 -8.171 -4.099 1.00 0.00 H new ATOM 0 HG22 ILE A 86 0.048 -7.848 -2.444 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.081 -8.480 -3.666 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.945 -7.317 -6.953 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.262 -8.376 -5.696 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -2.708 -7.400 -5.347 1.00 0.00 H new ATOM 1335 N LEU A 87 -4.064 -6.603 -3.198 1.00 0.00 N ATOM 1336 CA LEU A 87 -5.181 -7.511 -3.002 1.00 0.00 C ATOM 1337 C LEU A 87 -5.404 -8.322 -4.281 1.00 0.00 C ATOM 1338 O LEU A 87 -5.487 -7.758 -5.371 1.00 0.00 O ATOM 1339 CB LEU A 87 -6.420 -6.743 -2.538 1.00 0.00 C ATOM 1340 CG LEU A 87 -7.555 -6.621 -3.557 1.00 0.00 C ATOM 1341 CD1 LEU A 87 -7.088 -5.880 -4.811 1.00 0.00 C ATOM 1342 CD2 LEU A 87 -8.144 -7.993 -3.888 1.00 0.00 C ATOM 0 H LEU A 87 -4.305 -5.720 -3.648 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.958 -8.223 -2.207 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -6.811 -7.230 -1.645 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -6.112 -5.739 -2.245 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.353 -6.027 -3.111 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.913 -5.807 -5.519 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.754 -4.879 -4.539 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.263 -6.425 -5.270 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -8.949 -7.878 -4.614 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.366 -8.632 -4.306 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -8.538 -8.449 -2.979 1.00 0.00 H new ATOM 1354 N THR A 88 -5.495 -9.631 -4.105 1.00 0.00 N ATOM 1355 CA THR A 88 -5.705 -10.526 -5.230 1.00 0.00 C ATOM 1356 C THR A 88 -6.442 -11.788 -4.779 1.00 0.00 C ATOM 1357 O THR A 88 -6.479 -12.098 -3.588 1.00 0.00 O ATOM 1358 CB THR A 88 -4.345 -10.811 -5.869 1.00 0.00 C ATOM 1359 OG1 THR A 88 -4.626 -11.800 -6.857 1.00 0.00 O ATOM 1360 CG2 THR A 88 -3.382 -11.509 -4.907 1.00 0.00 C ATOM 0 H THR A 88 -5.427 -10.094 -3.199 1.00 0.00 H new ATOM 0 HA THR A 88 -6.344 -10.068 -5.985 1.00 0.00 H new ATOM 0 HB THR A 88 -3.902 -9.876 -6.212 1.00 0.00 H new ATOM 0 HG1 THR A 88 -3.798 -12.042 -7.322 1.00 0.00 H new ATOM 0 HG21 THR A 88 -2.432 -11.688 -5.410 1.00 0.00 H new ATOM 0 HG22 THR A 88 -3.217 -10.877 -4.035 1.00 0.00 H new ATOM 0 HG23 THR A 88 -3.810 -12.460 -4.590 1.00 0.00 H new ATOM 1368 N ALA A 89 -7.011 -12.483 -5.752 1.00 0.00 N ATOM 1369 CA ALA A 89 -7.745 -13.704 -5.469 1.00 0.00 C ATOM 1370 C ALA A 89 -6.755 -14.849 -5.246 1.00 0.00 C ATOM 1371 O ALA A 89 -6.994 -15.976 -5.680 1.00 0.00 O ATOM 1372 CB ALA A 89 -8.719 -13.992 -6.613 1.00 0.00 C ATOM 0 H ALA A 89 -6.979 -12.224 -6.738 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.334 -13.594 -4.559 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -9.270 -14.908 -6.400 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -9.419 -13.163 -6.712 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -8.163 -14.110 -7.543 1.00 0.00 H new ATOM 1378 N GLN A 90 -5.664 -14.521 -4.569 1.00 0.00 N ATOM 1379 CA GLN A 90 -4.636 -15.508 -4.283 1.00 0.00 C ATOM 1380 C GLN A 90 -4.344 -15.550 -2.782 1.00 0.00 C ATOM 1381 O GLN A 90 -4.508 -16.587 -2.143 1.00 0.00 O ATOM 1382 CB GLN A 90 -3.362 -15.222 -5.082 1.00 0.00 C ATOM 1383 CG GLN A 90 -3.234 -16.176 -6.270 1.00 0.00 C ATOM 1384 CD GLN A 90 -2.199 -17.268 -5.987 1.00 0.00 C ATOM 1385 OE1 GLN A 90 -1.041 -17.171 -6.357 1.00 0.00 O ATOM 1386 NE2 GLN A 90 -2.680 -18.308 -5.312 1.00 0.00 N ATOM 0 H GLN A 90 -5.470 -13.586 -4.210 1.00 0.00 H new ATOM 0 HA GLN A 90 -5.005 -16.487 -4.589 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -3.375 -14.192 -5.438 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -2.492 -15.324 -4.434 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -4.201 -16.632 -6.480 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -2.945 -15.617 -7.160 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -3.661 -18.325 -5.033 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -2.068 -19.089 -5.074 1.00 0.00 H new ATOM 1395 N GLY A 91 -3.914 -14.408 -2.264 1.00 0.00 N ATOM 1396 CA GLY A 91 -3.598 -14.301 -0.849 1.00 0.00 C ATOM 1397 C GLY A 91 -2.778 -15.505 -0.378 1.00 0.00 C ATOM 1398 O GLY A 91 -3.298 -16.387 0.303 1.00 0.00 O ATOM 0 H GLY A 91 -3.777 -13.550 -2.798 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -3.041 -13.382 -0.666 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -4.520 -14.235 -0.271 1.00 0.00 H new ATOM 1402 N ASP A 92 -1.509 -15.502 -0.761 1.00 0.00 N ATOM 1403 CA ASP A 92 -0.612 -16.582 -0.387 1.00 0.00 C ATOM 1404 C ASP A 92 0.633 -15.998 0.281 1.00 0.00 C ATOM 1405 O ASP A 92 1.349 -15.199 -0.323 1.00 0.00 O ATOM 1406 CB ASP A 92 -0.163 -17.376 -1.615 1.00 0.00 C ATOM 1407 CG ASP A 92 -0.547 -18.857 -1.605 1.00 0.00 C ATOM 1408 OD1 ASP A 92 -1.600 -19.166 -1.005 1.00 0.00 O ATOM 1409 OD2 ASP A 92 0.219 -19.646 -2.198 1.00 0.00 O ATOM 0 H ASP A 92 -1.081 -14.769 -1.326 1.00 0.00 H new ATOM 0 HA ASP A 92 -1.148 -17.244 0.293 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -0.589 -16.912 -2.504 1.00 0.00 H new ATOM 0 HB3 ASP A 92 0.921 -17.298 -1.703 1.00 0.00 H new ATOM 1414 N ARG A 93 0.856 -16.417 1.518 1.00 0.00 N ATOM 1415 CA ARG A 93 2.003 -15.944 2.274 1.00 0.00 C ATOM 1416 C ARG A 93 3.295 -16.207 1.497 1.00 0.00 C ATOM 1417 O ARG A 93 4.288 -15.505 1.682 1.00 0.00 O ATOM 1418 CB ARG A 93 2.087 -16.634 3.636 1.00 0.00 C ATOM 1419 CG ARG A 93 2.265 -18.145 3.477 1.00 0.00 C ATOM 1420 CD ARG A 93 2.369 -18.833 4.840 1.00 0.00 C ATOM 1421 NE ARG A 93 1.122 -19.575 5.129 1.00 0.00 N ATOM 1422 CZ ARG A 93 0.844 -20.794 4.647 1.00 0.00 C ATOM 1423 NH1 ARG A 93 1.724 -21.416 3.849 1.00 0.00 N ATOM 1424 NH2 ARG A 93 -0.313 -21.392 4.962 1.00 0.00 N ATOM 0 H ARG A 93 0.261 -17.079 2.016 1.00 0.00 H new ATOM 0 HA ARG A 93 1.879 -14.872 2.429 1.00 0.00 H new ATOM 0 HB2 ARG A 93 2.922 -16.224 4.204 1.00 0.00 H new ATOM 0 HB3 ARG A 93 1.182 -16.429 4.207 1.00 0.00 H new ATOM 0 HG2 ARG A 93 1.423 -18.557 2.921 1.00 0.00 H new ATOM 0 HG3 ARG A 93 3.163 -18.349 2.893 1.00 0.00 H new ATOM 0 HD2 ARG A 93 3.218 -19.516 4.848 1.00 0.00 H new ATOM 0 HD3 ARG A 93 2.549 -18.091 5.618 1.00 0.00 H new ATOM 0 HE ARG A 93 0.431 -19.131 5.733 1.00 0.00 H new ATOM 0 HH11 ARG A 93 2.605 -20.961 3.609 1.00 0.00 H new ATOM 0 HH12 ARG A 93 1.513 -22.344 3.482 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -0.983 -20.919 5.569 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -0.524 -22.320 4.595 1.00 0.00 H new ATOM 1438 N ALA A 94 3.240 -17.219 0.644 1.00 0.00 N ATOM 1439 CA ALA A 94 4.393 -17.583 -0.160 1.00 0.00 C ATOM 1440 C ALA A 94 4.786 -16.399 -1.046 1.00 0.00 C ATOM 1441 O ALA A 94 5.958 -16.030 -1.111 1.00 0.00 O ATOM 1442 CB ALA A 94 4.073 -18.838 -0.976 1.00 0.00 C ATOM 0 H ALA A 94 2.414 -17.798 0.492 1.00 0.00 H new ATOM 0 HA ALA A 94 5.245 -17.817 0.478 1.00 0.00 H new ATOM 0 HB1 ALA A 94 4.939 -19.110 -1.579 1.00 0.00 H new ATOM 0 HB2 ALA A 94 3.828 -19.658 -0.301 1.00 0.00 H new ATOM 0 HB3 ALA A 94 3.223 -18.640 -1.630 1.00 0.00 H new ATOM 1448 N LEU A 95 3.784 -15.834 -1.703 1.00 0.00 N ATOM 1449 CA LEU A 95 4.011 -14.699 -2.581 1.00 0.00 C ATOM 1450 C LEU A 95 4.421 -13.486 -1.743 1.00 0.00 C ATOM 1451 O LEU A 95 5.245 -12.681 -2.174 1.00 0.00 O ATOM 1452 CB LEU A 95 2.785 -14.451 -3.463 1.00 0.00 C ATOM 1453 CG LEU A 95 2.782 -15.153 -4.822 1.00 0.00 C ATOM 1454 CD1 LEU A 95 2.253 -16.584 -4.698 1.00 0.00 C ATOM 1455 CD2 LEU A 95 2.003 -14.342 -5.858 1.00 0.00 C ATOM 0 H LEU A 95 2.813 -16.141 -1.645 1.00 0.00 H new ATOM 0 HA LEU A 95 4.832 -14.906 -3.267 1.00 0.00 H new ATOM 0 HB2 LEU A 95 1.897 -14.764 -2.913 1.00 0.00 H new ATOM 0 HB3 LEU A 95 2.694 -13.378 -3.631 1.00 0.00 H new ATOM 0 HG LEU A 95 3.811 -15.219 -5.174 1.00 0.00 H new ATOM 0 HD11 LEU A 95 2.261 -17.061 -5.678 1.00 0.00 H new ATOM 0 HD12 LEU A 95 2.887 -17.148 -4.014 1.00 0.00 H new ATOM 0 HD13 LEU A 95 1.233 -16.563 -4.313 1.00 0.00 H new ATOM 0 HD21 LEU A 95 2.017 -14.864 -6.815 1.00 0.00 H new ATOM 0 HD22 LEU A 95 0.972 -14.222 -5.526 1.00 0.00 H new ATOM 0 HD23 LEU A 95 2.464 -13.361 -5.973 1.00 0.00 H new ATOM 1467 N VAL A 96 3.828 -13.394 -0.563 1.00 0.00 N ATOM 1468 CA VAL A 96 4.122 -12.293 0.339 1.00 0.00 C ATOM 1469 C VAL A 96 5.606 -12.325 0.709 1.00 0.00 C ATOM 1470 O VAL A 96 6.285 -11.300 0.658 1.00 0.00 O ATOM 1471 CB VAL A 96 3.200 -12.355 1.558 1.00 0.00 C ATOM 1472 CG1 VAL A 96 3.477 -11.193 2.514 1.00 0.00 C ATOM 1473 CG2 VAL A 96 1.731 -12.379 1.134 1.00 0.00 C ATOM 0 H VAL A 96 3.145 -14.064 -0.210 1.00 0.00 H new ATOM 0 HA VAL A 96 3.929 -11.337 -0.149 1.00 0.00 H new ATOM 0 HB VAL A 96 3.409 -13.283 2.090 1.00 0.00 H new ATOM 0 HG11 VAL A 96 2.808 -11.260 3.372 1.00 0.00 H new ATOM 0 HG12 VAL A 96 4.511 -11.241 2.855 1.00 0.00 H new ATOM 0 HG13 VAL A 96 3.309 -10.248 1.997 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.097 -12.423 2.020 1.00 0.00 H new ATOM 0 HG22 VAL A 96 1.501 -11.476 0.568 1.00 0.00 H new ATOM 0 HG23 VAL A 96 1.546 -13.255 0.512 1.00 0.00 H new ATOM 1483 N GLN A 97 6.067 -13.513 1.074 1.00 0.00 N ATOM 1484 CA GLN A 97 7.459 -13.692 1.452 1.00 0.00 C ATOM 1485 C GLN A 97 8.359 -13.603 0.217 1.00 0.00 C ATOM 1486 O GLN A 97 9.507 -13.172 0.313 1.00 0.00 O ATOM 1487 CB GLN A 97 7.661 -15.019 2.184 1.00 0.00 C ATOM 1488 CG GLN A 97 8.843 -14.937 3.151 1.00 0.00 C ATOM 1489 CD GLN A 97 8.616 -15.829 4.373 1.00 0.00 C ATOM 1490 OE1 GLN A 97 9.317 -16.802 4.603 1.00 0.00 O ATOM 1491 NE2 GLN A 97 7.600 -15.446 5.142 1.00 0.00 N ATOM 0 H GLN A 97 5.501 -14.361 1.116 1.00 0.00 H new ATOM 0 HA GLN A 97 7.736 -12.891 2.138 1.00 0.00 H new ATOM 0 HB2 GLN A 97 6.755 -15.277 2.732 1.00 0.00 H new ATOM 0 HB3 GLN A 97 7.833 -15.815 1.460 1.00 0.00 H new ATOM 0 HG2 GLN A 97 9.757 -15.240 2.640 1.00 0.00 H new ATOM 0 HG3 GLN A 97 8.984 -13.905 3.471 1.00 0.00 H new ATOM 0 HE21 GLN A 97 7.054 -14.622 4.892 1.00 0.00 H new ATOM 0 HE22 GLN A 97 7.368 -15.977 5.982 1.00 0.00 H new ATOM 1500 N LYS A 98 7.805 -14.018 -0.912 1.00 0.00 N ATOM 1501 CA LYS A 98 8.544 -13.990 -2.163 1.00 0.00 C ATOM 1502 C LYS A 98 8.912 -12.544 -2.501 1.00 0.00 C ATOM 1503 O LYS A 98 10.083 -12.230 -2.708 1.00 0.00 O ATOM 1504 CB LYS A 98 7.756 -14.700 -3.265 1.00 0.00 C ATOM 1505 CG LYS A 98 8.688 -15.183 -4.380 1.00 0.00 C ATOM 1506 CD LYS A 98 7.893 -15.565 -5.630 1.00 0.00 C ATOM 1507 CE LYS A 98 7.573 -17.061 -5.640 1.00 0.00 C ATOM 1508 NZ LYS A 98 6.348 -17.335 -4.856 1.00 0.00 N ATOM 0 H LYS A 98 6.853 -14.376 -0.987 1.00 0.00 H new ATOM 0 HA LYS A 98 9.479 -14.541 -2.067 1.00 0.00 H new ATOM 0 HB2 LYS A 98 7.217 -15.548 -2.843 1.00 0.00 H new ATOM 0 HB3 LYS A 98 7.009 -14.022 -3.678 1.00 0.00 H new ATOM 0 HG2 LYS A 98 9.404 -14.399 -4.625 1.00 0.00 H new ATOM 0 HG3 LYS A 98 9.262 -16.042 -4.033 1.00 0.00 H new ATOM 0 HD2 LYS A 98 6.967 -14.991 -5.666 1.00 0.00 H new ATOM 0 HD3 LYS A 98 8.464 -15.306 -6.522 1.00 0.00 H new ATOM 0 HE2 LYS A 98 7.439 -17.403 -6.666 1.00 0.00 H new ATOM 0 HE3 LYS A 98 8.411 -17.621 -5.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 6.559 -18.034 -4.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 6.014 -16.454 -4.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 5.609 -17.709 -5.485 1.00 0.00 H new ATOM 1522 N ALA A 99 7.889 -11.704 -2.547 1.00 0.00 N ATOM 1523 CA ALA A 99 8.089 -10.298 -2.858 1.00 0.00 C ATOM 1524 C ALA A 99 8.729 -9.601 -1.656 1.00 0.00 C ATOM 1525 O ALA A 99 9.709 -8.874 -1.805 1.00 0.00 O ATOM 1526 CB ALA A 99 6.754 -9.668 -3.255 1.00 0.00 C ATOM 0 H ALA A 99 6.919 -11.969 -2.374 1.00 0.00 H new ATOM 0 HA ALA A 99 8.767 -10.184 -3.704 1.00 0.00 H new ATOM 0 HB1 ALA A 99 6.904 -8.614 -3.488 1.00 0.00 H new ATOM 0 HB2 ALA A 99 6.356 -10.180 -4.131 1.00 0.00 H new ATOM 0 HB3 ALA A 99 6.048 -9.760 -2.429 1.00 0.00 H new ATOM 1532 N ALA A 100 8.147 -9.847 -0.491 1.00 0.00 N ATOM 1533 CA ALA A 100 8.648 -9.251 0.736 1.00 0.00 C ATOM 1534 C ALA A 100 10.138 -9.565 0.878 1.00 0.00 C ATOM 1535 O ALA A 100 10.880 -8.804 1.499 1.00 0.00 O ATOM 1536 CB ALA A 100 7.829 -9.763 1.924 1.00 0.00 C ATOM 0 H ALA A 100 7.334 -10.451 -0.371 1.00 0.00 H new ATOM 0 HA ALA A 100 8.540 -8.167 0.708 1.00 0.00 H new ATOM 0 HB1 ALA A 100 8.205 -9.316 2.844 1.00 0.00 H new ATOM 0 HB2 ALA A 100 6.782 -9.490 1.789 1.00 0.00 H new ATOM 0 HB3 ALA A 100 7.916 -10.848 1.985 1.00 0.00 H new ATOM 1542 N ALA A 101 10.533 -10.687 0.294 1.00 0.00 N ATOM 1543 CA ALA A 101 11.922 -11.111 0.348 1.00 0.00 C ATOM 1544 C ALA A 101 12.637 -10.663 -0.928 1.00 0.00 C ATOM 1545 O ALA A 101 13.862 -10.553 -0.951 1.00 0.00 O ATOM 1546 CB ALA A 101 11.987 -12.625 0.554 1.00 0.00 C ATOM 0 H ALA A 101 9.915 -11.316 -0.219 1.00 0.00 H new ATOM 0 HA ALA A 101 12.433 -10.647 1.192 1.00 0.00 H new ATOM 0 HB1 ALA A 101 13.029 -12.942 0.594 1.00 0.00 H new ATOM 0 HB2 ALA A 101 11.492 -12.887 1.489 1.00 0.00 H new ATOM 0 HB3 ALA A 101 11.487 -13.127 -0.274 1.00 0.00 H new ATOM 1552 N LEU A 102 11.841 -10.417 -1.958 1.00 0.00 N ATOM 1553 CA LEU A 102 12.383 -9.984 -3.235 1.00 0.00 C ATOM 1554 C LEU A 102 12.991 -8.589 -3.080 1.00 0.00 C ATOM 1555 O LEU A 102 13.845 -8.188 -3.870 1.00 0.00 O ATOM 1556 CB LEU A 102 11.315 -10.070 -4.327 1.00 0.00 C ATOM 1557 CG LEU A 102 11.796 -9.816 -5.757 1.00 0.00 C ATOM 1558 CD1 LEU A 102 12.162 -8.345 -5.959 1.00 0.00 C ATOM 1559 CD2 LEU A 102 12.952 -10.750 -6.121 1.00 0.00 C ATOM 0 H LEU A 102 10.825 -10.509 -1.935 1.00 0.00 H new ATOM 0 HA LEU A 102 13.186 -10.649 -3.552 1.00 0.00 H new ATOM 0 HB2 LEU A 102 10.862 -11.061 -4.288 1.00 0.00 H new ATOM 0 HB3 LEU A 102 10.529 -9.351 -4.096 1.00 0.00 H new ATOM 0 HG LEU A 102 10.975 -10.040 -6.438 1.00 0.00 H new ATOM 0 HD11 LEU A 102 12.501 -8.192 -6.984 1.00 0.00 H new ATOM 0 HD12 LEU A 102 11.287 -7.723 -5.769 1.00 0.00 H new ATOM 0 HD13 LEU A 102 12.959 -8.070 -5.268 1.00 0.00 H new ATOM 0 HD21 LEU A 102 13.275 -10.549 -7.142 1.00 0.00 H new ATOM 0 HD22 LEU A 102 13.784 -10.582 -5.438 1.00 0.00 H new ATOM 0 HD23 LEU A 102 12.621 -11.786 -6.043 1.00 0.00 H new ATOM 1571 N GLY A 103 12.529 -7.887 -2.055 1.00 0.00 N ATOM 1572 CA GLY A 103 13.017 -6.546 -1.786 1.00 0.00 C ATOM 1573 C GLY A 103 11.897 -5.653 -1.247 1.00 0.00 C ATOM 1574 O GLY A 103 12.162 -4.601 -0.665 1.00 0.00 O ATOM 0 H GLY A 103 11.822 -8.223 -1.401 1.00 0.00 H new ATOM 0 HA2 GLY A 103 13.832 -6.590 -1.063 1.00 0.00 H new ATOM 0 HA3 GLY A 103 13.424 -6.113 -2.700 1.00 0.00 H new ATOM 1578 N ALA A 104 10.670 -6.104 -1.461 1.00 0.00 N ATOM 1579 CA ALA A 104 9.509 -5.359 -1.005 1.00 0.00 C ATOM 1580 C ALA A 104 9.649 -5.071 0.492 1.00 0.00 C ATOM 1581 O ALA A 104 10.176 -5.893 1.239 1.00 0.00 O ATOM 1582 CB ALA A 104 8.237 -6.144 -1.330 1.00 0.00 C ATOM 0 H ALA A 104 10.454 -6.976 -1.944 1.00 0.00 H new ATOM 0 HA ALA A 104 9.442 -4.401 -1.521 1.00 0.00 H new ATOM 0 HB1 ALA A 104 7.367 -5.584 -0.988 1.00 0.00 H new ATOM 0 HB2 ALA A 104 8.169 -6.297 -2.407 1.00 0.00 H new ATOM 0 HB3 ALA A 104 8.268 -7.111 -0.827 1.00 0.00 H new ATOM 1588 N ASN A 105 9.169 -3.900 0.884 1.00 0.00 N ATOM 1589 CA ASN A 105 9.234 -3.493 2.277 1.00 0.00 C ATOM 1590 C ASN A 105 8.083 -4.143 3.048 1.00 0.00 C ATOM 1591 O ASN A 105 8.241 -4.516 4.210 1.00 0.00 O ATOM 1592 CB ASN A 105 9.098 -1.975 2.415 1.00 0.00 C ATOM 1593 CG ASN A 105 9.678 -1.492 3.746 1.00 0.00 C ATOM 1594 OD1 ASN A 105 10.865 -1.588 4.006 1.00 0.00 O ATOM 1595 ND2 ASN A 105 8.776 -0.967 4.570 1.00 0.00 N ATOM 0 H ASN A 105 8.733 -3.220 0.261 1.00 0.00 H new ATOM 0 HA ASN A 105 10.199 -3.806 2.675 1.00 0.00 H new ATOM 0 HB2 ASN A 105 9.613 -1.483 1.590 1.00 0.00 H new ATOM 0 HB3 ASN A 105 8.047 -1.693 2.348 1.00 0.00 H new ATOM 0 HD21 ASN A 105 9.063 -0.614 5.483 1.00 0.00 H new ATOM 0 HD22 ASN A 105 7.797 -0.917 4.289 1.00 0.00 H new ATOM 1602 N ASN A 106 6.951 -4.260 2.371 1.00 0.00 N ATOM 1603 CA ASN A 106 5.775 -4.858 2.978 1.00 0.00 C ATOM 1604 C ASN A 106 4.694 -5.044 1.910 1.00 0.00 C ATOM 1605 O ASN A 106 4.327 -4.092 1.222 1.00 0.00 O ATOM 1606 CB ASN A 106 5.203 -3.960 4.077 1.00 0.00 C ATOM 1607 CG ASN A 106 5.307 -4.635 5.446 1.00 0.00 C ATOM 1608 OD1 ASN A 106 5.681 -5.789 5.571 1.00 0.00 O ATOM 1609 ND2 ASN A 106 4.957 -3.852 6.462 1.00 0.00 N ATOM 0 H ASN A 106 6.823 -3.951 1.407 1.00 0.00 H new ATOM 0 HA ASN A 106 6.069 -5.814 3.411 1.00 0.00 H new ATOM 0 HB2 ASN A 106 5.740 -3.012 4.093 1.00 0.00 H new ATOM 0 HB3 ASN A 106 4.160 -3.731 3.859 1.00 0.00 H new ATOM 0 HD21 ASN A 106 4.993 -4.209 7.417 1.00 0.00 H new ATOM 0 HD22 ASN A 106 4.653 -2.894 6.287 1.00 0.00 H new ATOM 1616 N VAL A 107 4.215 -6.275 1.806 1.00 0.00 N ATOM 1617 CA VAL A 107 3.184 -6.597 0.834 1.00 0.00 C ATOM 1618 C VAL A 107 2.030 -7.312 1.539 1.00 0.00 C ATOM 1619 O VAL A 107 2.185 -8.442 2.001 1.00 0.00 O ATOM 1620 CB VAL A 107 3.783 -7.415 -0.312 1.00 0.00 C ATOM 1621 CG1 VAL A 107 4.285 -8.772 0.186 1.00 0.00 C ATOM 1622 CG2 VAL A 107 2.773 -7.588 -1.448 1.00 0.00 C ATOM 0 H VAL A 107 4.522 -7.061 2.379 1.00 0.00 H new ATOM 0 HA VAL A 107 2.780 -5.687 0.390 1.00 0.00 H new ATOM 0 HB VAL A 107 4.638 -6.865 -0.704 1.00 0.00 H new ATOM 0 HG11 VAL A 107 4.706 -9.333 -0.649 1.00 0.00 H new ATOM 0 HG12 VAL A 107 5.053 -8.620 0.945 1.00 0.00 H new ATOM 0 HG13 VAL A 107 3.455 -9.331 0.617 1.00 0.00 H new ATOM 0 HG21 VAL A 107 3.224 -8.173 -2.250 1.00 0.00 H new ATOM 0 HG22 VAL A 107 1.890 -8.106 -1.074 1.00 0.00 H new ATOM 0 HG23 VAL A 107 2.485 -6.609 -1.831 1.00 0.00 H new ATOM 1632 N LEU A 108 0.899 -6.626 1.599 1.00 0.00 N ATOM 1633 CA LEU A 108 -0.280 -7.181 2.241 1.00 0.00 C ATOM 1634 C LEU A 108 -1.502 -6.935 1.353 1.00 0.00 C ATOM 1635 O LEU A 108 -1.634 -5.869 0.755 1.00 0.00 O ATOM 1636 CB LEU A 108 -0.430 -6.628 3.659 1.00 0.00 C ATOM 1637 CG LEU A 108 0.873 -6.360 4.416 1.00 0.00 C ATOM 1638 CD1 LEU A 108 0.692 -5.235 5.437 1.00 0.00 C ATOM 1639 CD2 LEU A 108 1.406 -7.640 5.060 1.00 0.00 C ATOM 0 H LEU A 108 0.774 -5.690 1.213 1.00 0.00 H new ATOM 0 HA LEU A 108 -0.179 -8.260 2.354 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -0.995 -5.697 3.607 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -1.027 -7.331 4.240 1.00 0.00 H new ATOM 0 HG LEU A 108 1.623 -6.026 3.699 1.00 0.00 H new ATOM 0 HD11 LEU A 108 1.632 -5.065 5.961 1.00 0.00 H new ATOM 0 HD12 LEU A 108 0.392 -4.322 4.923 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -0.078 -5.516 6.155 1.00 0.00 H new ATOM 0 HD21 LEU A 108 2.332 -7.422 5.591 1.00 0.00 H new ATOM 0 HD22 LEU A 108 0.668 -8.029 5.762 1.00 0.00 H new ATOM 0 HD23 LEU A 108 1.598 -8.384 4.287 1.00 0.00 H new ATOM 1651 N ALA A 109 -2.364 -7.940 1.295 1.00 0.00 N ATOM 1652 CA ALA A 109 -3.570 -7.846 0.491 1.00 0.00 C ATOM 1653 C ALA A 109 -4.678 -7.185 1.314 1.00 0.00 C ATOM 1654 O ALA A 109 -4.712 -7.321 2.535 1.00 0.00 O ATOM 1655 CB ALA A 109 -3.964 -9.239 -0.004 1.00 0.00 C ATOM 0 H ALA A 109 -2.251 -8.823 1.792 1.00 0.00 H new ATOM 0 HA ALA A 109 -3.397 -7.224 -0.387 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -4.869 -9.168 -0.607 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -3.156 -9.652 -0.608 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -4.148 -9.890 0.850 1.00 0.00 H new ATOM 1661 N LYS A 110 -5.554 -6.482 0.611 1.00 0.00 N ATOM 1662 CA LYS A 110 -6.659 -5.799 1.262 1.00 0.00 C ATOM 1663 C LYS A 110 -7.713 -6.827 1.679 1.00 0.00 C ATOM 1664 O LYS A 110 -8.413 -7.382 0.834 1.00 0.00 O ATOM 1665 CB LYS A 110 -7.205 -4.688 0.363 1.00 0.00 C ATOM 1666 CG LYS A 110 -8.476 -5.141 -0.359 1.00 0.00 C ATOM 1667 CD LYS A 110 -8.993 -4.049 -1.296 1.00 0.00 C ATOM 1668 CE LYS A 110 -10.099 -4.587 -2.208 1.00 0.00 C ATOM 1669 NZ LYS A 110 -9.888 -4.135 -3.601 1.00 0.00 N ATOM 0 H LYS A 110 -5.521 -6.371 -0.402 1.00 0.00 H new ATOM 0 HA LYS A 110 -6.319 -5.304 2.171 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -7.419 -3.803 0.962 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -6.449 -4.403 -0.369 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -8.271 -6.047 -0.929 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -9.244 -5.391 0.372 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -9.375 -3.213 -0.710 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -8.172 -3.666 -1.902 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -10.111 -5.676 -2.171 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -11.071 -4.245 -1.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -10.161 -4.894 -4.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -10.470 -3.293 -3.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -8.885 -3.900 -3.742 1.00 0.00 H new ATOM 1683 N PRO A 111 -7.794 -7.055 3.017 1.00 0.00 N ATOM 1684 CA PRO A 111 -8.751 -8.006 3.557 1.00 0.00 C ATOM 1685 C PRO A 111 -10.169 -7.431 3.533 1.00 0.00 C ATOM 1686 O PRO A 111 -10.349 -6.216 3.485 1.00 0.00 O ATOM 1687 CB PRO A 111 -8.257 -8.308 4.962 1.00 0.00 C ATOM 1688 CG PRO A 111 -7.313 -7.172 5.325 1.00 0.00 C ATOM 1689 CD PRO A 111 -6.982 -6.416 4.048 1.00 0.00 C ATOM 0 HA PRO A 111 -8.814 -8.920 2.966 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -9.088 -8.365 5.665 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -7.744 -9.269 4.997 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -7.778 -6.507 6.053 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -6.405 -7.562 5.784 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -7.222 -5.357 4.141 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -5.920 -6.482 3.813 1.00 0.00 H new ATOM 1697 N PHE A 112 -11.139 -8.333 3.568 1.00 0.00 N ATOM 1698 CA PHE A 112 -12.536 -7.931 3.551 1.00 0.00 C ATOM 1699 C PHE A 112 -13.080 -7.780 4.973 1.00 0.00 C ATOM 1700 O PHE A 112 -14.224 -7.371 5.163 1.00 0.00 O ATOM 1701 CB PHE A 112 -13.312 -9.038 2.836 1.00 0.00 C ATOM 1702 CG PHE A 112 -14.313 -8.526 1.798 1.00 0.00 C ATOM 1703 CD1 PHE A 112 -13.879 -8.142 0.568 1.00 0.00 C ATOM 1704 CD2 PHE A 112 -15.636 -8.456 2.105 1.00 0.00 C ATOM 1705 CE1 PHE A 112 -14.807 -7.667 -0.396 1.00 0.00 C ATOM 1706 CE2 PHE A 112 -16.564 -7.981 1.141 1.00 0.00 C ATOM 1707 CZ PHE A 112 -16.130 -7.596 -0.089 1.00 0.00 C ATOM 0 H PHE A 112 -10.986 -9.341 3.608 1.00 0.00 H new ATOM 0 HA PHE A 112 -12.640 -6.970 3.046 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -12.604 -9.705 2.344 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -13.846 -9.631 3.579 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -12.828 -8.198 0.324 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -15.981 -8.762 3.082 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -14.462 -7.362 -1.373 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -17.615 -7.925 1.385 1.00 0.00 H new ATOM 0 HZ PHE A 112 -16.836 -7.234 -0.822 1.00 0.00 H new ATOM 1717 N THR A 113 -12.234 -8.115 5.935 1.00 0.00 N ATOM 1718 CA THR A 113 -12.615 -8.021 7.333 1.00 0.00 C ATOM 1719 C THR A 113 -11.768 -6.966 8.048 1.00 0.00 C ATOM 1720 O THR A 113 -10.599 -6.776 7.718 1.00 0.00 O ATOM 1721 CB THR A 113 -12.495 -9.417 7.951 1.00 0.00 C ATOM 1722 OG1 THR A 113 -13.194 -10.261 7.041 1.00 0.00 O ATOM 1723 CG2 THR A 113 -13.280 -9.549 9.258 1.00 0.00 C ATOM 0 H THR A 113 -11.285 -8.452 5.774 1.00 0.00 H new ATOM 0 HA THR A 113 -13.648 -7.690 7.439 1.00 0.00 H new ATOM 0 HB THR A 113 -11.444 -9.643 8.134 1.00 0.00 H new ATOM 0 HG1 THR A 113 -13.164 -11.186 7.364 1.00 0.00 H new ATOM 0 HG21 THR A 113 -13.161 -10.558 9.654 1.00 0.00 H new ATOM 0 HG22 THR A 113 -12.903 -8.828 9.983 1.00 0.00 H new ATOM 0 HG23 THR A 113 -14.336 -9.356 9.069 1.00 0.00 H new ATOM 1731 N ILE A 114 -12.393 -6.309 9.015 1.00 0.00 N ATOM 1732 CA ILE A 114 -11.711 -5.277 9.779 1.00 0.00 C ATOM 1733 C ILE A 114 -10.631 -5.924 10.650 1.00 0.00 C ATOM 1734 O ILE A 114 -9.659 -5.270 11.025 1.00 0.00 O ATOM 1735 CB ILE A 114 -12.719 -4.441 10.569 1.00 0.00 C ATOM 1736 CG1 ILE A 114 -13.746 -5.336 11.266 1.00 0.00 C ATOM 1737 CG2 ILE A 114 -13.385 -3.395 9.672 1.00 0.00 C ATOM 1738 CD1 ILE A 114 -14.284 -4.668 12.533 1.00 0.00 C ATOM 0 H ILE A 114 -13.363 -6.471 9.287 1.00 0.00 H new ATOM 0 HA ILE A 114 -11.207 -4.578 9.111 1.00 0.00 H new ATOM 0 HB ILE A 114 -12.181 -3.902 11.348 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -14.570 -5.549 10.585 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -13.288 -6.292 11.521 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -14.097 -2.814 10.258 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -12.625 -2.730 9.262 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -13.908 -3.895 8.857 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -15.012 -5.325 13.009 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -13.461 -4.478 13.222 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -14.763 -3.724 12.272 1.00 0.00 H new ATOM 1750 N GLU A 115 -10.839 -7.198 10.946 1.00 0.00 N ATOM 1751 CA GLU A 115 -9.896 -7.939 11.765 1.00 0.00 C ATOM 1752 C GLU A 115 -8.570 -8.115 11.022 1.00 0.00 C ATOM 1753 O GLU A 115 -7.500 -7.932 11.601 1.00 0.00 O ATOM 1754 CB GLU A 115 -10.475 -9.293 12.180 1.00 0.00 C ATOM 1755 CG GLU A 115 -10.280 -9.538 13.676 1.00 0.00 C ATOM 1756 CD GLU A 115 -10.348 -11.032 14.001 1.00 0.00 C ATOM 1757 OE1 GLU A 115 -11.434 -11.611 13.780 1.00 0.00 O ATOM 1758 OE2 GLU A 115 -9.315 -11.560 14.463 1.00 0.00 O ATOM 0 H GLU A 115 -11.647 -7.736 10.633 1.00 0.00 H new ATOM 0 HA GLU A 115 -9.708 -7.367 12.674 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -11.537 -9.328 11.938 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -9.992 -10.088 11.612 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -9.317 -9.137 13.991 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -11.046 -9.005 14.238 1.00 0.00 H new ATOM 1765 N LYS A 116 -8.684 -8.467 9.749 1.00 0.00 N ATOM 1766 CA LYS A 116 -7.508 -8.668 8.921 1.00 0.00 C ATOM 1767 C LYS A 116 -6.921 -7.309 8.536 1.00 0.00 C ATOM 1768 O LYS A 116 -5.702 -7.140 8.508 1.00 0.00 O ATOM 1769 CB LYS A 116 -7.844 -9.555 7.720 1.00 0.00 C ATOM 1770 CG LYS A 116 -7.709 -11.037 8.078 1.00 0.00 C ATOM 1771 CD LYS A 116 -8.111 -11.924 6.899 1.00 0.00 C ATOM 1772 CE LYS A 116 -7.641 -13.364 7.110 1.00 0.00 C ATOM 1773 NZ LYS A 116 -6.174 -13.463 6.933 1.00 0.00 N ATOM 0 H LYS A 116 -9.573 -8.618 9.272 1.00 0.00 H new ATOM 0 HA LYS A 116 -6.738 -9.202 9.477 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -8.861 -9.349 7.385 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -7.180 -9.316 6.890 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -6.680 -11.253 8.366 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -8.336 -11.265 8.940 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -9.194 -11.905 6.778 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -7.681 -11.529 5.979 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -7.916 -13.699 8.110 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -8.144 -14.024 6.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -5.910 -14.456 6.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -5.884 -12.893 6.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -5.697 -13.109 7.786 1.00 0.00 H new ATOM 1787 N MET A 117 -7.814 -6.375 8.249 1.00 0.00 N ATOM 1788 CA MET A 117 -7.400 -5.035 7.867 1.00 0.00 C ATOM 1789 C MET A 117 -6.820 -4.278 9.064 1.00 0.00 C ATOM 1790 O MET A 117 -5.842 -3.546 8.925 1.00 0.00 O ATOM 1791 CB MET A 117 -8.602 -4.267 7.312 1.00 0.00 C ATOM 1792 CG MET A 117 -8.162 -2.949 6.672 1.00 0.00 C ATOM 1793 SD MET A 117 -8.028 -1.681 7.921 1.00 0.00 S ATOM 1794 CE MET A 117 -9.686 -1.719 8.582 1.00 0.00 C ATOM 0 H MET A 117 -8.824 -6.519 8.273 1.00 0.00 H new ATOM 0 HA MET A 117 -6.627 -5.118 7.103 1.00 0.00 H new ATOM 0 HB2 MET A 117 -9.120 -4.879 6.573 1.00 0.00 H new ATOM 0 HB3 MET A 117 -9.312 -4.067 8.114 1.00 0.00 H new ATOM 0 HG2 MET A 117 -7.203 -3.081 6.171 1.00 0.00 H new ATOM 0 HG3 MET A 117 -8.881 -2.647 5.910 1.00 0.00 H new ATOM 0 HE1 MET A 117 -9.975 -0.717 8.899 1.00 0.00 H new ATOM 0 HE2 MET A 117 -10.376 -2.070 7.814 1.00 0.00 H new ATOM 0 HE3 MET A 117 -9.721 -2.394 9.437 1.00 0.00 H new ATOM 1804 N LYS A 118 -7.448 -4.481 10.213 1.00 0.00 N ATOM 1805 CA LYS A 118 -7.007 -3.828 11.433 1.00 0.00 C ATOM 1806 C LYS A 118 -5.687 -4.450 11.891 1.00 0.00 C ATOM 1807 O LYS A 118 -4.844 -3.769 12.474 1.00 0.00 O ATOM 1808 CB LYS A 118 -8.109 -3.873 12.494 1.00 0.00 C ATOM 1809 CG LYS A 118 -7.709 -3.072 13.734 1.00 0.00 C ATOM 1810 CD LYS A 118 -8.404 -3.613 14.985 1.00 0.00 C ATOM 1811 CE LYS A 118 -9.156 -2.502 15.719 1.00 0.00 C ATOM 1812 NZ LYS A 118 -10.586 -2.856 15.873 1.00 0.00 N ATOM 0 H LYS A 118 -8.259 -5.089 10.324 1.00 0.00 H new ATOM 0 HA LYS A 118 -6.815 -2.771 11.251 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -9.034 -3.471 12.080 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -8.308 -4.908 12.773 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -6.628 -3.116 13.867 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -7.970 -2.023 13.594 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -9.100 -4.404 14.705 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -7.666 -4.059 15.651 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -8.708 -2.338 16.699 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -9.064 -1.567 15.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -11.081 -2.091 16.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -11.014 -2.989 14.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -10.669 -3.737 16.419 1.00 0.00 H new ATOM 1826 N ALA A 119 -5.547 -5.737 11.610 1.00 0.00 N ATOM 1827 CA ALA A 119 -4.344 -6.460 11.986 1.00 0.00 C ATOM 1828 C ALA A 119 -3.218 -6.107 11.011 1.00 0.00 C ATOM 1829 O ALA A 119 -2.098 -5.814 11.431 1.00 0.00 O ATOM 1830 CB ALA A 119 -4.637 -7.961 12.020 1.00 0.00 C ATOM 0 H ALA A 119 -6.248 -6.298 11.126 1.00 0.00 H new ATOM 0 HA ALA A 119 -4.019 -6.170 12.985 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -3.734 -8.502 12.302 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -5.423 -8.162 12.748 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -4.964 -8.290 11.034 1.00 0.00 H new ATOM 1836 N ALA A 120 -3.553 -6.148 9.730 1.00 0.00 N ATOM 1837 CA ALA A 120 -2.583 -5.836 8.694 1.00 0.00 C ATOM 1838 C ALA A 120 -2.034 -4.427 8.921 1.00 0.00 C ATOM 1839 O ALA A 120 -0.822 -4.220 8.908 1.00 0.00 O ATOM 1840 CB ALA A 120 -3.239 -5.992 7.320 1.00 0.00 C ATOM 0 H ALA A 120 -4.482 -6.392 9.386 1.00 0.00 H new ATOM 0 HA ALA A 120 -1.741 -6.527 8.735 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -2.513 -5.758 6.541 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -3.586 -7.018 7.197 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -4.086 -5.311 7.242 1.00 0.00 H new ATOM 1846 N ILE A 121 -2.953 -3.494 9.125 1.00 0.00 N ATOM 1847 CA ILE A 121 -2.575 -2.109 9.356 1.00 0.00 C ATOM 1848 C ILE A 121 -1.754 -2.017 10.644 1.00 0.00 C ATOM 1849 O ILE A 121 -0.717 -1.356 10.676 1.00 0.00 O ATOM 1850 CB ILE A 121 -3.812 -1.208 9.350 1.00 0.00 C ATOM 1851 CG1 ILE A 121 -4.841 -1.684 10.377 1.00 0.00 C ATOM 1852 CG2 ILE A 121 -4.409 -1.107 7.945 1.00 0.00 C ATOM 1853 CD1 ILE A 121 -4.754 -0.859 11.662 1.00 0.00 C ATOM 0 H ILE A 121 -3.958 -3.669 9.135 1.00 0.00 H new ATOM 0 HA ILE A 121 -1.941 -1.747 8.547 1.00 0.00 H new ATOM 0 HB ILE A 121 -3.505 -0.204 9.643 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -5.844 -1.604 9.957 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -4.673 -2.737 10.604 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -5.287 -0.461 7.968 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -3.668 -0.688 7.264 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -4.698 -2.100 7.600 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -5.496 -1.218 12.376 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -3.758 -0.960 12.093 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -4.946 0.190 11.435 1.00 0.00 H new ATOM 1865 N GLU A 122 -2.249 -2.689 11.673 1.00 0.00 N ATOM 1866 CA GLU A 122 -1.573 -2.692 12.959 1.00 0.00 C ATOM 1867 C GLU A 122 -0.137 -3.196 12.804 1.00 0.00 C ATOM 1868 O GLU A 122 0.735 -2.852 13.601 1.00 0.00 O ATOM 1869 CB GLU A 122 -2.342 -3.532 13.981 1.00 0.00 C ATOM 1870 CG GLU A 122 -3.260 -2.653 14.834 1.00 0.00 C ATOM 1871 CD GLU A 122 -3.640 -3.361 16.137 1.00 0.00 C ATOM 1872 OE1 GLU A 122 -4.248 -4.447 16.036 1.00 0.00 O ATOM 1873 OE2 GLU A 122 -3.313 -2.797 17.203 1.00 0.00 O ATOM 0 H GLU A 122 -3.110 -3.235 11.642 1.00 0.00 H new ATOM 0 HA GLU A 122 -1.539 -1.668 13.331 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -2.933 -4.288 13.464 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -1.639 -4.062 14.624 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -2.761 -1.711 15.060 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -4.161 -2.409 14.272 1.00 0.00 H new ATOM 1880 N ALA A 123 0.064 -4.003 11.774 1.00 0.00 N ATOM 1881 CA ALA A 123 1.380 -4.558 11.504 1.00 0.00 C ATOM 1882 C ALA A 123 2.165 -3.591 10.616 1.00 0.00 C ATOM 1883 O ALA A 123 3.350 -3.352 10.848 1.00 0.00 O ATOM 1884 CB ALA A 123 1.230 -5.942 10.868 1.00 0.00 C ATOM 0 H ALA A 123 -0.662 -4.286 11.116 1.00 0.00 H new ATOM 0 HA ALA A 123 1.940 -4.683 12.430 1.00 0.00 H new ATOM 0 HB1 ALA A 123 2.217 -6.358 10.665 1.00 0.00 H new ATOM 0 HB2 ALA A 123 0.692 -6.600 11.551 1.00 0.00 H new ATOM 0 HB3 ALA A 123 0.674 -5.855 9.934 1.00 0.00 H new ATOM 1890 N VAL A 124 1.474 -3.059 9.618 1.00 0.00 N ATOM 1891 CA VAL A 124 2.091 -2.123 8.696 1.00 0.00 C ATOM 1892 C VAL A 124 2.558 -0.887 9.467 1.00 0.00 C ATOM 1893 O VAL A 124 3.576 -0.285 9.124 1.00 0.00 O ATOM 1894 CB VAL A 124 1.120 -1.789 7.561 1.00 0.00 C ATOM 1895 CG1 VAL A 124 0.329 -0.517 7.873 1.00 0.00 C ATOM 1896 CG2 VAL A 124 1.859 -1.662 6.227 1.00 0.00 C ATOM 0 H VAL A 124 0.492 -3.259 9.429 1.00 0.00 H new ATOM 0 HA VAL A 124 2.971 -2.568 8.232 1.00 0.00 H new ATOM 0 HB VAL A 124 0.410 -2.612 7.474 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -0.353 -0.302 7.051 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -0.242 -0.659 8.791 1.00 0.00 H new ATOM 0 HG13 VAL A 124 1.018 0.318 8.000 1.00 0.00 H new ATOM 0 HG21 VAL A 124 1.146 -1.424 5.437 1.00 0.00 H new ATOM 0 HG22 VAL A 124 2.602 -0.867 6.297 1.00 0.00 H new ATOM 0 HG23 VAL A 124 2.356 -2.604 5.995 1.00 0.00 H new ATOM 1906 N PHE A 125 1.793 -0.544 10.493 1.00 0.00 N ATOM 1907 CA PHE A 125 2.117 0.609 11.315 1.00 0.00 C ATOM 1908 C PHE A 125 3.123 0.240 12.406 1.00 0.00 C ATOM 1909 O PHE A 125 4.171 0.873 12.530 1.00 0.00 O ATOM 1910 CB PHE A 125 0.813 1.069 11.972 1.00 0.00 C ATOM 1911 CG PHE A 125 0.073 2.156 11.193 1.00 0.00 C ATOM 1912 CD1 PHE A 125 -0.831 1.811 10.236 1.00 0.00 C ATOM 1913 CD2 PHE A 125 0.317 3.468 11.455 1.00 0.00 C ATOM 1914 CE1 PHE A 125 -1.520 2.820 9.513 1.00 0.00 C ATOM 1915 CE2 PHE A 125 -0.371 4.477 10.731 1.00 0.00 C ATOM 1916 CZ PHE A 125 -1.275 4.132 9.775 1.00 0.00 C ATOM 0 H PHE A 125 0.950 -1.045 10.774 1.00 0.00 H new ATOM 0 HA PHE A 125 2.561 1.392 10.700 1.00 0.00 H new ATOM 0 HB2 PHE A 125 0.154 0.209 12.089 1.00 0.00 H new ATOM 0 HB3 PHE A 125 1.034 1.440 12.973 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -1.024 0.769 10.026 1.00 0.00 H new ATOM 0 HD2 PHE A 125 1.034 3.742 12.214 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -2.239 2.546 8.755 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -0.177 5.519 10.939 1.00 0.00 H new ATOM 0 HZ PHE A 125 -1.798 4.900 9.224 1.00 0.00 H new ATOM 1926 N GLY A 126 2.769 -0.781 13.172 1.00 0.00 N ATOM 1927 CA GLY A 126 3.628 -1.242 14.250 1.00 0.00 C ATOM 1928 C GLY A 126 4.973 -1.730 13.708 1.00 0.00 C ATOM 1929 O GLY A 126 6.013 -1.136 13.991 1.00 0.00 O ATOM 0 H GLY A 126 1.899 -1.303 13.068 1.00 0.00 H new ATOM 0 HA2 GLY A 126 3.791 -0.433 14.962 1.00 0.00 H new ATOM 0 HA3 GLY A 126 3.136 -2.049 14.792 1.00 0.00 H new ATOM 1933 N ALA A 127 4.911 -2.807 12.938 1.00 0.00 N ATOM 1934 CA ALA A 127 6.111 -3.381 12.355 1.00 0.00 C ATOM 1935 C ALA A 127 7.288 -3.170 13.309 1.00 0.00 C ATOM 1936 O ALA A 127 8.213 -2.420 13.003 1.00 0.00 O ATOM 1937 CB ALA A 127 6.356 -2.759 10.979 1.00 0.00 C ATOM 0 H ALA A 127 4.047 -3.297 12.705 1.00 0.00 H new ATOM 0 HA ALA A 127 5.993 -4.455 12.211 1.00 0.00 H new ATOM 0 HB1 ALA A 127 7.256 -3.189 10.540 1.00 0.00 H new ATOM 0 HB2 ALA A 127 5.504 -2.963 10.331 1.00 0.00 H new ATOM 0 HB3 ALA A 127 6.483 -1.681 11.084 1.00 0.00 H new ATOM 1943 N LEU A 128 7.214 -3.846 14.446 1.00 0.00 N ATOM 1944 CA LEU A 128 8.262 -3.742 15.447 1.00 0.00 C ATOM 1945 C LEU A 128 9.272 -4.871 15.241 1.00 0.00 C ATOM 1946 O LEU A 128 8.897 -6.041 15.180 1.00 0.00 O ATOM 1947 CB LEU A 128 7.658 -3.706 16.853 1.00 0.00 C ATOM 1948 CG LEU A 128 8.389 -2.833 17.875 1.00 0.00 C ATOM 1949 CD1 LEU A 128 9.756 -3.427 18.225 1.00 0.00 C ATOM 1950 CD2 LEU A 128 8.502 -1.390 17.382 1.00 0.00 C ATOM 0 H LEU A 128 6.445 -4.468 14.696 1.00 0.00 H new ATOM 0 HA LEU A 128 8.805 -2.804 15.334 1.00 0.00 H new ATOM 0 HB2 LEU A 128 6.629 -3.356 16.776 1.00 0.00 H new ATOM 0 HB3 LEU A 128 7.620 -4.725 17.237 1.00 0.00 H new ATOM 0 HG LEU A 128 7.800 -2.815 18.792 1.00 0.00 H new ATOM 0 HD11 LEU A 128 10.255 -2.787 18.953 1.00 0.00 H new ATOM 0 HD12 LEU A 128 9.623 -4.423 18.648 1.00 0.00 H new ATOM 0 HD13 LEU A 128 10.365 -3.494 17.324 1.00 0.00 H new ATOM 0 HD21 LEU A 128 9.026 -0.791 18.127 1.00 0.00 H new ATOM 0 HD22 LEU A 128 9.057 -1.368 16.444 1.00 0.00 H new ATOM 0 HD23 LEU A 128 7.504 -0.981 17.223 1.00 0.00 H new ATOM 1962 N LYS A 129 10.535 -4.482 15.139 1.00 0.00 N ATOM 1963 CA LYS A 129 11.603 -5.447 14.941 1.00 0.00 C ATOM 1964 C LYS A 129 11.116 -6.553 14.001 1.00 0.00 C ATOM 1965 O LYS A 129 11.896 -7.100 13.223 1.00 0.00 O ATOM 1966 CB LYS A 129 12.115 -5.964 16.286 1.00 0.00 C ATOM 1967 CG LYS A 129 13.593 -5.624 16.478 1.00 0.00 C ATOM 1968 CD LYS A 129 14.317 -6.730 17.248 1.00 0.00 C ATOM 1969 CE LYS A 129 14.430 -6.381 18.734 1.00 0.00 C ATOM 1970 NZ LYS A 129 14.160 -7.574 19.568 1.00 0.00 N ATOM 0 H LYS A 129 10.842 -3.511 15.190 1.00 0.00 H new ATOM 0 HA LYS A 129 12.460 -4.974 14.462 1.00 0.00 H new ATOM 0 HB2 LYS A 129 11.530 -5.526 17.094 1.00 0.00 H new ATOM 0 HB3 LYS A 129 11.977 -7.044 16.341 1.00 0.00 H new ATOM 0 HG2 LYS A 129 14.066 -5.484 15.506 1.00 0.00 H new ATOM 0 HG3 LYS A 129 13.685 -4.681 17.017 1.00 0.00 H new ATOM 0 HD2 LYS A 129 13.779 -7.671 17.132 1.00 0.00 H new ATOM 0 HD3 LYS A 129 15.312 -6.878 16.829 1.00 0.00 H new ATOM 0 HE2 LYS A 129 15.428 -5.998 18.949 1.00 0.00 H new ATOM 0 HE3 LYS A 129 13.724 -5.589 18.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 14.241 -7.320 20.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 13.199 -7.922 19.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 14.850 -8.319 19.342 1.00 0.00 H new TER 1984 LYS A 129