USER MOD reduce.3.24.130724 H: found=0, std=0, add=962, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 960 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 98 SER OG : rot 128:sc= 0.138 USER MOD Set 1.2: A 118 GLN : amide:sc= -5.03 K(o=-4.9,f=-3.8!) USER MOD Set 2.1: A 62 ASN : amide:sc= -9.43! C(o=-12!,f=-20!) USER MOD Set 2.2: A 86 THR OG1 : rot -175:sc= -2.95! USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 104:sc= 0.137 USER MOD Single : A 3 HIS : no HD1:sc= -1.76! C(o=-1.8!,f=-3.3!) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl 166:sc= 0 (180deg=-0.29) USER MOD Single : A 27 THR OG1 : rot 98:sc= -0.389 USER MOD Single : A 29 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HE2:sc= -19.5! C(o=-19!,f=-16!) USER MOD Single : A 38 THR OG1 : rot -81:sc= -4.01! USER MOD Single : A 40 SER OG : rot 6:sc= 0.646! USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.05) USER MOD Single : A 68 SER OG : rot 180:sc= -0.259 USER MOD Single : A 69 TYR OH : rot -70:sc= -6.04! USER MOD Single : A 79 ASN : amide:sc= -22.1! C(o=-22!,f=-29!) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot -110:sc= -0.667 USER MOD Single : A 91 LYS NZ :NH3+ -164:sc= 0.415 (180deg=0.268) USER MOD Single : A 95 THR OG1 : rot 162:sc= -2.16! USER MOD Single : A 97 TYR OH : rot 40:sc= -1.51! USER MOD Single : A 99 ASN : amide:sc= -6.55! C(o=-6.6!,f=-7.7!) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0.155! USER MOD Single : A 105 LYS NZ :NH3+ 143:sc= 0.44 (180deg=-1.8!) USER MOD Single : A 110 SER OG : rot -139:sc= 0.138 USER MOD Single : A 120 SER OG : rot 180:sc= -0.0395 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.306 26.701 2.973 1.00 0.00 N ATOM 2 CA GLY A 1 4.989 28.007 2.325 1.00 0.00 C ATOM 3 C GLY A 1 6.111 28.385 1.354 1.00 0.00 C ATOM 4 O GLY A 1 6.257 27.798 0.300 1.00 0.00 O ATOM 0 H1 GLY A 1 4.543 26.446 3.632 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.395 25.964 2.244 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.202 26.781 3.495 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.041 27.939 1.792 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.874 28.782 3.083 1.00 0.00 H new ATOM 10 N SER A 2 6.903 29.363 1.700 1.00 0.00 N ATOM 11 CA SER A 2 8.012 29.780 0.796 1.00 0.00 C ATOM 12 C SER A 2 9.055 28.665 0.686 1.00 0.00 C ATOM 13 O SER A 2 9.822 28.614 -0.253 1.00 0.00 O ATOM 14 CB SER A 2 8.614 31.018 1.459 1.00 0.00 C ATOM 15 OG SER A 2 7.590 31.726 2.146 1.00 0.00 O ATOM 0 H SER A 2 6.830 29.891 2.570 1.00 0.00 H new ATOM 0 HA SER A 2 7.666 29.987 -0.217 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.400 30.726 2.155 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.075 31.659 0.708 1.00 0.00 H new ATOM 0 HG SER A 2 7.669 31.563 3.109 1.00 0.00 H new ATOM 21 N HIS A 3 9.089 27.772 1.638 1.00 0.00 N ATOM 22 CA HIS A 3 10.083 26.660 1.586 1.00 0.00 C ATOM 23 C HIS A 3 9.896 25.729 2.795 1.00 0.00 C ATOM 24 O HIS A 3 9.898 26.164 3.929 1.00 0.00 O ATOM 25 CB HIS A 3 11.456 27.363 1.592 1.00 0.00 C ATOM 26 CG HIS A 3 12.143 27.212 2.927 1.00 0.00 C ATOM 27 ND1 HIS A 3 11.710 27.878 4.061 1.00 0.00 N ATOM 28 CD2 HIS A 3 13.233 26.476 3.317 1.00 0.00 C ATOM 29 CE1 HIS A 3 12.529 27.533 5.071 1.00 0.00 C ATOM 30 NE2 HIS A 3 13.476 26.680 4.671 1.00 0.00 N ATOM 0 H HIS A 3 8.472 27.764 2.450 1.00 0.00 H new ATOM 0 HA HIS A 3 9.974 26.026 0.706 1.00 0.00 H new ATOM 0 HB2 HIS A 3 12.085 26.943 0.807 1.00 0.00 H new ATOM 0 HB3 HIS A 3 11.326 28.421 1.365 1.00 0.00 H new ATOM 0 HD2 HIS A 3 13.814 25.835 2.671 1.00 0.00 H new ATOM 0 HE1 HIS A 3 12.433 27.901 6.082 1.00 0.00 H new ATOM 0 HE2 HIS A 3 14.218 26.267 5.237 1.00 0.00 H new ATOM 38 N MET A 4 9.732 24.457 2.556 1.00 0.00 N ATOM 39 CA MET A 4 9.541 23.500 3.685 1.00 0.00 C ATOM 40 C MET A 4 9.631 22.059 3.171 1.00 0.00 C ATOM 41 O MET A 4 9.919 21.822 2.014 1.00 0.00 O ATOM 42 CB MET A 4 8.139 23.800 4.220 1.00 0.00 C ATOM 43 CG MET A 4 8.211 24.066 5.724 1.00 0.00 C ATOM 44 SD MET A 4 6.879 23.169 6.560 1.00 0.00 S ATOM 45 CE MET A 4 6.219 24.570 7.494 1.00 0.00 C ATOM 0 H MET A 4 9.722 24.037 1.626 1.00 0.00 H new ATOM 0 HA MET A 4 10.301 23.607 4.459 1.00 0.00 H new ATOM 0 HB2 MET A 4 7.720 24.666 3.707 1.00 0.00 H new ATOM 0 HB3 MET A 4 7.475 22.959 4.020 1.00 0.00 H new ATOM 0 HG2 MET A 4 9.178 23.749 6.114 1.00 0.00 H new ATOM 0 HG3 MET A 4 8.123 25.135 5.920 1.00 0.00 H new ATOM 0 HE1 MET A 4 5.371 24.240 8.094 1.00 0.00 H new ATOM 0 HE2 MET A 4 6.994 24.968 8.149 1.00 0.00 H new ATOM 0 HE3 MET A 4 5.894 25.347 6.803 1.00 0.00 H new ATOM 55 N THR A 5 9.390 21.094 4.018 1.00 0.00 N ATOM 56 CA THR A 5 9.467 19.673 3.565 1.00 0.00 C ATOM 57 C THR A 5 8.189 18.916 3.938 1.00 0.00 C ATOM 58 O THR A 5 7.422 19.341 4.779 1.00 0.00 O ATOM 59 CB THR A 5 10.671 19.081 4.303 1.00 0.00 C ATOM 60 OG1 THR A 5 10.945 19.859 5.459 1.00 0.00 O ATOM 61 CG2 THR A 5 11.890 19.090 3.381 1.00 0.00 C ATOM 0 H THR A 5 9.144 21.226 4.999 1.00 0.00 H new ATOM 0 HA THR A 5 9.572 19.599 2.483 1.00 0.00 H new ATOM 0 HB THR A 5 10.448 18.056 4.599 1.00 0.00 H new ATOM 0 HG1 THR A 5 11.714 19.480 5.933 1.00 0.00 H new ATOM 0 HG21 THR A 5 12.747 18.669 3.907 1.00 0.00 H new ATOM 0 HG22 THR A 5 11.679 18.493 2.493 1.00 0.00 H new ATOM 0 HG23 THR A 5 12.114 20.115 3.084 1.00 0.00 H new ATOM 69 N GLU A 6 7.960 17.790 3.318 1.00 0.00 N ATOM 70 CA GLU A 6 6.738 16.995 3.631 1.00 0.00 C ATOM 71 C GLU A 6 6.955 15.535 3.226 1.00 0.00 C ATOM 72 O GLU A 6 6.028 14.833 2.873 1.00 0.00 O ATOM 73 CB GLU A 6 5.629 17.628 2.789 1.00 0.00 C ATOM 74 CG GLU A 6 5.922 17.387 1.307 1.00 0.00 C ATOM 75 CD GLU A 6 5.262 18.484 0.471 1.00 0.00 C ATOM 76 OE1 GLU A 6 5.723 19.612 0.540 1.00 0.00 O ATOM 77 OE2 GLU A 6 4.307 18.179 -0.223 1.00 0.00 O ATOM 0 H GLU A 6 8.568 17.385 2.606 1.00 0.00 H new ATOM 0 HA GLU A 6 6.493 17.002 4.693 1.00 0.00 H new ATOM 0 HB2 GLU A 6 4.663 17.198 3.056 1.00 0.00 H new ATOM 0 HB3 GLU A 6 5.568 18.697 2.991 1.00 0.00 H new ATOM 0 HG2 GLU A 6 6.998 17.382 1.134 1.00 0.00 H new ATOM 0 HG3 GLU A 6 5.546 16.409 1.005 1.00 0.00 H new ATOM 84 N ARG A 7 8.180 15.081 3.269 1.00 0.00 N ATOM 85 CA ARG A 7 8.478 13.672 2.881 1.00 0.00 C ATOM 86 C ARG A 7 8.148 12.716 4.030 1.00 0.00 C ATOM 87 O ARG A 7 8.453 11.541 3.979 1.00 0.00 O ATOM 88 CB ARG A 7 9.981 13.656 2.598 1.00 0.00 C ATOM 89 CG ARG A 7 10.227 13.806 1.096 1.00 0.00 C ATOM 90 CD ARG A 7 11.734 13.869 0.833 1.00 0.00 C ATOM 91 NE ARG A 7 11.884 14.761 -0.348 1.00 0.00 N ATOM 92 CZ ARG A 7 13.053 15.248 -0.656 1.00 0.00 C ATOM 93 NH1 ARG A 7 13.940 14.494 -1.244 1.00 0.00 N ATOM 94 NH2 ARG A 7 13.336 16.489 -0.374 1.00 0.00 N ATOM 0 H ARG A 7 8.990 15.629 3.558 1.00 0.00 H new ATOM 0 HA ARG A 7 7.888 13.350 2.023 1.00 0.00 H new ATOM 0 HB2 ARG A 7 10.471 14.466 3.139 1.00 0.00 H new ATOM 0 HB3 ARG A 7 10.418 12.724 2.956 1.00 0.00 H new ATOM 0 HG2 ARG A 7 9.787 12.966 0.558 1.00 0.00 H new ATOM 0 HG3 ARG A 7 9.744 14.710 0.725 1.00 0.00 H new ATOM 0 HD2 ARG A 7 12.269 14.265 1.696 1.00 0.00 H new ATOM 0 HD3 ARG A 7 12.141 12.878 0.633 1.00 0.00 H new ATOM 0 HE ARG A 7 11.070 14.992 -0.918 1.00 0.00 H new ATOM 0 HH11 ARG A 7 13.719 13.523 -1.463 1.00 0.00 H new ATOM 0 HH12 ARG A 7 14.855 14.876 -1.485 1.00 0.00 H new ATOM 0 HH21 ARG A 7 12.643 17.078 0.087 1.00 0.00 H new ATOM 0 HH22 ARG A 7 14.251 16.871 -0.615 1.00 0.00 H new ATOM 108 N ARG A 8 7.540 13.209 5.072 1.00 0.00 N ATOM 109 CA ARG A 8 7.208 12.324 6.225 1.00 0.00 C ATOM 110 C ARG A 8 6.281 11.177 5.792 1.00 0.00 C ATOM 111 O ARG A 8 6.069 10.235 6.527 1.00 0.00 O ATOM 112 CB ARG A 8 6.504 13.239 7.230 1.00 0.00 C ATOM 113 CG ARG A 8 7.393 13.423 8.463 1.00 0.00 C ATOM 114 CD ARG A 8 7.046 14.748 9.149 1.00 0.00 C ATOM 115 NE ARG A 8 8.242 15.611 8.943 1.00 0.00 N ATOM 116 CZ ARG A 8 8.275 16.448 7.942 1.00 0.00 C ATOM 117 NH1 ARG A 8 7.484 17.484 7.935 1.00 0.00 N ATOM 118 NH2 ARG A 8 9.096 16.245 6.949 1.00 0.00 N ATOM 0 H ARG A 8 7.259 14.184 5.176 1.00 0.00 H new ATOM 0 HA ARG A 8 8.096 11.853 6.646 1.00 0.00 H new ATOM 0 HB2 ARG A 8 6.294 14.206 6.773 1.00 0.00 H new ATOM 0 HB3 ARG A 8 5.546 12.809 7.520 1.00 0.00 H new ATOM 0 HG2 ARG A 8 7.249 12.594 9.156 1.00 0.00 H new ATOM 0 HG3 ARG A 8 8.443 13.416 8.172 1.00 0.00 H new ATOM 0 HD2 ARG A 8 6.154 15.198 8.712 1.00 0.00 H new ATOM 0 HD3 ARG A 8 6.842 14.602 10.210 1.00 0.00 H new ATOM 0 HE ARG A 8 9.034 15.548 9.583 1.00 0.00 H new ATOM 0 HH11 ARG A 8 6.841 17.640 8.711 1.00 0.00 H new ATOM 0 HH12 ARG A 8 7.509 18.139 7.154 1.00 0.00 H new ATOM 0 HH21 ARG A 8 9.712 15.432 6.955 1.00 0.00 H new ATOM 0 HH22 ARG A 8 9.122 16.899 6.167 1.00 0.00 H new ATOM 132 N LEU A 9 5.723 11.247 4.612 1.00 0.00 N ATOM 133 CA LEU A 9 4.809 10.158 4.154 1.00 0.00 C ATOM 134 C LEU A 9 5.604 8.893 3.783 1.00 0.00 C ATOM 135 O LEU A 9 6.796 8.942 3.554 1.00 0.00 O ATOM 136 CB LEU A 9 4.089 10.736 2.935 1.00 0.00 C ATOM 137 CG LEU A 9 2.703 11.243 3.350 1.00 0.00 C ATOM 138 CD1 LEU A 9 1.861 10.077 3.876 1.00 0.00 C ATOM 139 CD2 LEU A 9 2.856 12.296 4.453 1.00 0.00 C ATOM 0 H LEU A 9 5.860 12.008 3.947 1.00 0.00 H new ATOM 0 HA LEU A 9 4.109 9.854 4.933 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.673 11.551 2.508 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.992 9.974 2.162 1.00 0.00 H new ATOM 0 HG LEU A 9 2.208 11.685 2.485 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.877 10.442 4.170 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.751 9.326 3.094 1.00 0.00 H new ATOM 0 HD13 LEU A 9 2.355 9.632 4.739 1.00 0.00 H new ATOM 0 HD21 LEU A 9 1.872 12.658 4.750 1.00 0.00 H new ATOM 0 HD22 LEU A 9 3.354 11.851 5.315 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.452 13.129 4.080 1.00 0.00 H new ATOM 151 N ARG A 10 4.950 7.754 3.750 1.00 0.00 N ATOM 152 CA ARG A 10 5.661 6.474 3.428 1.00 0.00 C ATOM 153 C ARG A 10 4.695 5.460 2.789 1.00 0.00 C ATOM 154 O ARG A 10 3.538 5.378 3.150 1.00 0.00 O ATOM 155 CB ARG A 10 6.171 5.908 4.771 1.00 0.00 C ATOM 156 CG ARG A 10 5.962 6.898 5.931 1.00 0.00 C ATOM 157 CD ARG A 10 4.461 7.089 6.191 1.00 0.00 C ATOM 158 NE ARG A 10 4.252 6.632 7.594 1.00 0.00 N ATOM 159 CZ ARG A 10 3.591 7.380 8.437 1.00 0.00 C ATOM 160 NH1 ARG A 10 3.821 8.664 8.497 1.00 0.00 N ATOM 161 NH2 ARG A 10 2.697 6.842 9.220 1.00 0.00 N ATOM 0 H ARG A 10 3.951 7.656 3.933 1.00 0.00 H new ATOM 0 HA ARG A 10 6.473 6.654 2.723 1.00 0.00 H new ATOM 0 HB2 ARG A 10 5.651 4.976 4.992 1.00 0.00 H new ATOM 0 HB3 ARG A 10 7.231 5.669 4.685 1.00 0.00 H new ATOM 0 HG2 ARG A 10 6.451 6.526 6.831 1.00 0.00 H new ATOM 0 HG3 ARG A 10 6.423 7.856 5.691 1.00 0.00 H new ATOM 0 HD2 ARG A 10 4.169 8.132 6.068 1.00 0.00 H new ATOM 0 HD3 ARG A 10 3.862 6.505 5.492 1.00 0.00 H new ATOM 0 HE ARG A 10 4.626 5.733 7.897 1.00 0.00 H new ATOM 0 HH11 ARG A 10 4.519 9.086 7.884 1.00 0.00 H new ATOM 0 HH12 ARG A 10 3.303 9.245 9.156 1.00 0.00 H new ATOM 0 HH21 ARG A 10 2.515 5.839 9.173 1.00 0.00 H new ATOM 0 HH22 ARG A 10 2.180 7.424 9.879 1.00 0.00 H new ATOM 175 N VAL A 11 5.161 4.675 1.851 1.00 0.00 N ATOM 176 CA VAL A 11 4.260 3.666 1.207 1.00 0.00 C ATOM 177 C VAL A 11 5.033 2.392 0.864 1.00 0.00 C ATOM 178 O VAL A 11 5.761 2.343 -0.106 1.00 0.00 O ATOM 179 CB VAL A 11 3.768 4.334 -0.072 1.00 0.00 C ATOM 180 CG1 VAL A 11 2.686 5.347 0.281 1.00 0.00 C ATOM 181 CG2 VAL A 11 4.940 5.044 -0.759 1.00 0.00 C ATOM 0 H VAL A 11 6.120 4.687 1.504 1.00 0.00 H new ATOM 0 HA VAL A 11 3.443 3.376 1.867 1.00 0.00 H new ATOM 0 HB VAL A 11 3.358 3.584 -0.749 1.00 0.00 H new ATOM 0 HG11 VAL A 11 2.329 5.830 -0.629 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.857 4.837 0.771 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.098 6.100 0.953 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.590 5.522 -1.674 1.00 0.00 H new ATOM 0 HG22 VAL A 11 5.351 5.799 -0.089 1.00 0.00 H new ATOM 0 HG23 VAL A 11 5.714 4.316 -1.003 1.00 0.00 H new ATOM 191 N LEU A 12 4.886 1.358 1.644 1.00 0.00 N ATOM 192 CA LEU A 12 5.634 0.105 1.345 1.00 0.00 C ATOM 193 C LEU A 12 4.771 -0.866 0.532 1.00 0.00 C ATOM 194 O LEU A 12 4.150 -1.765 1.061 1.00 0.00 O ATOM 195 CB LEU A 12 5.998 -0.493 2.704 1.00 0.00 C ATOM 196 CG LEU A 12 6.399 0.613 3.689 1.00 0.00 C ATOM 197 CD1 LEU A 12 5.589 0.467 4.961 1.00 0.00 C ATOM 198 CD2 LEU A 12 7.888 0.502 4.024 1.00 0.00 C ATOM 0 H LEU A 12 4.286 1.325 2.468 1.00 0.00 H new ATOM 0 HA LEU A 12 6.522 0.302 0.745 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.150 -1.051 3.101 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.819 -1.200 2.588 1.00 0.00 H new ATOM 0 HG LEU A 12 6.206 1.585 3.234 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.871 1.251 5.664 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.528 0.553 4.728 1.00 0.00 H new ATOM 0 HD13 LEU A 12 5.785 -0.508 5.407 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.163 1.291 4.724 1.00 0.00 H new ATOM 0 HD22 LEU A 12 8.088 -0.470 4.476 1.00 0.00 H new ATOM 0 HD23 LEU A 12 8.475 0.605 3.111 1.00 0.00 H new ATOM 210 N VAL A 13 4.761 -0.700 -0.760 1.00 0.00 N ATOM 211 CA VAL A 13 3.971 -1.607 -1.641 1.00 0.00 C ATOM 212 C VAL A 13 4.866 -2.754 -2.082 1.00 0.00 C ATOM 213 O VAL A 13 6.073 -2.629 -2.120 1.00 0.00 O ATOM 214 CB VAL A 13 3.549 -0.748 -2.835 1.00 0.00 C ATOM 215 CG1 VAL A 13 2.628 -1.555 -3.746 1.00 0.00 C ATOM 216 CG2 VAL A 13 2.796 0.490 -2.345 1.00 0.00 C ATOM 0 H VAL A 13 5.272 0.034 -1.250 1.00 0.00 H new ATOM 0 HA VAL A 13 3.100 -2.036 -1.146 1.00 0.00 H new ATOM 0 HB VAL A 13 4.441 -0.443 -3.383 1.00 0.00 H new ATOM 0 HG11 VAL A 13 2.328 -0.942 -4.596 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.155 -2.439 -4.104 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.742 -1.861 -3.189 1.00 0.00 H new ATOM 0 HG21 VAL A 13 2.499 1.097 -3.200 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.908 0.181 -1.793 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.444 1.075 -1.692 1.00 0.00 H new ATOM 226 N VAL A 14 4.303 -3.887 -2.367 1.00 0.00 N ATOM 227 CA VAL A 14 5.162 -5.030 -2.745 1.00 0.00 C ATOM 228 C VAL A 14 4.415 -6.059 -3.608 1.00 0.00 C ATOM 229 O VAL A 14 3.232 -6.295 -3.461 1.00 0.00 O ATOM 230 CB VAL A 14 5.564 -5.590 -1.380 1.00 0.00 C ATOM 231 CG1 VAL A 14 5.595 -7.120 -1.385 1.00 0.00 C ATOM 232 CG2 VAL A 14 6.940 -5.046 -0.994 1.00 0.00 C ATOM 0 H VAL A 14 3.300 -4.070 -2.355 1.00 0.00 H new ATOM 0 HA VAL A 14 6.013 -4.752 -3.366 1.00 0.00 H new ATOM 0 HB VAL A 14 4.818 -5.275 -0.650 1.00 0.00 H new ATOM 0 HG11 VAL A 14 5.885 -7.481 -0.398 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.606 -7.503 -1.636 1.00 0.00 H new ATOM 0 HG13 VAL A 14 6.317 -7.467 -2.125 1.00 0.00 H new ATOM 0 HG21 VAL A 14 7.229 -5.444 -0.021 1.00 0.00 H new ATOM 0 HG22 VAL A 14 7.673 -5.348 -1.742 1.00 0.00 H new ATOM 0 HG23 VAL A 14 6.900 -3.958 -0.944 1.00 0.00 H new ATOM 242 N GLU A 15 5.145 -6.669 -4.497 1.00 0.00 N ATOM 243 CA GLU A 15 4.593 -7.706 -5.409 1.00 0.00 C ATOM 244 C GLU A 15 5.752 -8.247 -6.258 1.00 0.00 C ATOM 245 O GLU A 15 6.828 -7.700 -6.253 1.00 0.00 O ATOM 246 CB GLU A 15 3.569 -6.982 -6.272 1.00 0.00 C ATOM 247 CG GLU A 15 4.286 -6.000 -7.191 1.00 0.00 C ATOM 248 CD GLU A 15 4.440 -6.632 -8.571 1.00 0.00 C ATOM 249 OE1 GLU A 15 4.395 -7.848 -8.648 1.00 0.00 O ATOM 250 OE2 GLU A 15 4.594 -5.891 -9.529 1.00 0.00 O ATOM 0 H GLU A 15 6.139 -6.483 -4.633 1.00 0.00 H new ATOM 0 HA GLU A 15 4.129 -8.545 -4.891 1.00 0.00 H new ATOM 0 HB2 GLU A 15 3.001 -7.701 -6.862 1.00 0.00 H new ATOM 0 HB3 GLU A 15 2.855 -6.452 -5.641 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.721 -5.071 -7.264 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.264 -5.747 -6.782 1.00 0.00 H new ATOM 257 N ASP A 16 5.572 -9.318 -6.964 1.00 0.00 N ATOM 258 CA ASP A 16 6.710 -9.859 -7.758 1.00 0.00 C ATOM 259 C ASP A 16 6.878 -9.143 -9.100 1.00 0.00 C ATOM 260 O ASP A 16 6.645 -9.718 -10.142 1.00 0.00 O ATOM 261 CB ASP A 16 6.365 -11.317 -7.999 1.00 0.00 C ATOM 262 CG ASP A 16 5.087 -11.399 -8.839 1.00 0.00 C ATOM 263 OD1 ASP A 16 4.287 -10.481 -8.756 1.00 0.00 O ATOM 264 OD2 ASP A 16 4.932 -12.372 -9.557 1.00 0.00 O ATOM 0 H ASP A 16 4.699 -9.841 -7.030 1.00 0.00 H new ATOM 0 HA ASP A 16 7.649 -9.721 -7.223 1.00 0.00 H new ATOM 0 HB2 ASP A 16 7.186 -11.817 -8.513 1.00 0.00 H new ATOM 0 HB3 ASP A 16 6.224 -11.832 -7.049 1.00 0.00 H new ATOM 269 N GLU A 17 7.305 -7.910 -9.095 1.00 0.00 N ATOM 270 CA GLU A 17 7.508 -7.200 -10.394 1.00 0.00 C ATOM 271 C GLU A 17 7.891 -5.737 -10.166 1.00 0.00 C ATOM 272 O GLU A 17 7.185 -4.995 -9.518 1.00 0.00 O ATOM 273 CB GLU A 17 6.171 -7.303 -11.133 1.00 0.00 C ATOM 274 CG GLU A 17 6.275 -8.338 -12.256 1.00 0.00 C ATOM 275 CD GLU A 17 5.099 -9.313 -12.157 1.00 0.00 C ATOM 276 OE1 GLU A 17 3.978 -8.848 -12.029 1.00 0.00 O ATOM 277 OE2 GLU A 17 5.339 -10.508 -12.209 1.00 0.00 O ATOM 0 H GLU A 17 7.521 -7.367 -8.259 1.00 0.00 H new ATOM 0 HA GLU A 17 8.321 -7.644 -10.968 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.382 -7.587 -10.437 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.898 -6.332 -11.546 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.269 -7.841 -13.226 1.00 0.00 H new ATOM 0 HG3 GLU A 17 7.218 -8.879 -12.181 1.00 0.00 H new ATOM 284 N SER A 18 9.010 -5.322 -10.703 1.00 0.00 N ATOM 285 CA SER A 18 9.452 -3.908 -10.527 1.00 0.00 C ATOM 286 C SER A 18 8.346 -2.942 -10.954 1.00 0.00 C ATOM 287 O SER A 18 8.270 -1.829 -10.475 1.00 0.00 O ATOM 288 CB SER A 18 10.671 -3.759 -11.436 1.00 0.00 C ATOM 289 OG SER A 18 11.136 -2.416 -11.378 1.00 0.00 O ATOM 0 H SER A 18 9.638 -5.904 -11.257 1.00 0.00 H new ATOM 0 HA SER A 18 9.684 -3.679 -9.487 1.00 0.00 H new ATOM 0 HB2 SER A 18 11.459 -4.443 -11.122 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.410 -4.022 -12.461 1.00 0.00 H new ATOM 0 HG SER A 18 11.919 -2.316 -11.958 1.00 0.00 H new ATOM 295 N MET A 19 7.487 -3.352 -11.847 1.00 0.00 N ATOM 296 CA MET A 19 6.393 -2.442 -12.286 1.00 0.00 C ATOM 297 C MET A 19 5.774 -1.768 -11.062 1.00 0.00 C ATOM 298 O MET A 19 5.238 -0.680 -11.138 1.00 0.00 O ATOM 299 CB MET A 19 5.375 -3.345 -12.980 1.00 0.00 C ATOM 300 CG MET A 19 4.680 -2.556 -14.092 1.00 0.00 C ATOM 301 SD MET A 19 4.222 -3.676 -15.438 1.00 0.00 S ATOM 302 CE MET A 19 4.234 -2.446 -16.765 1.00 0.00 C ATOM 0 H MET A 19 7.495 -4.271 -12.289 1.00 0.00 H new ATOM 0 HA MET A 19 6.742 -1.652 -12.951 1.00 0.00 H new ATOM 0 HB2 MET A 19 5.872 -4.222 -13.395 1.00 0.00 H new ATOM 0 HB3 MET A 19 4.641 -3.706 -12.260 1.00 0.00 H new ATOM 0 HG2 MET A 19 3.792 -2.061 -13.700 1.00 0.00 H new ATOM 0 HG3 MET A 19 5.342 -1.775 -14.465 1.00 0.00 H new ATOM 0 HE1 MET A 19 3.974 -2.926 -17.708 1.00 0.00 H new ATOM 0 HE2 MET A 19 3.508 -1.664 -16.543 1.00 0.00 H new ATOM 0 HE3 MET A 19 5.228 -2.006 -16.844 1.00 0.00 H new ATOM 312 N ILE A 20 5.857 -2.408 -9.929 1.00 0.00 N ATOM 313 CA ILE A 20 5.290 -1.813 -8.689 1.00 0.00 C ATOM 314 C ILE A 20 6.198 -0.683 -8.193 1.00 0.00 C ATOM 315 O ILE A 20 5.747 0.274 -7.598 1.00 0.00 O ATOM 316 CB ILE A 20 5.250 -2.966 -7.687 1.00 0.00 C ATOM 317 CG1 ILE A 20 4.550 -2.506 -6.405 1.00 0.00 C ATOM 318 CG2 ILE A 20 6.677 -3.421 -7.360 1.00 0.00 C ATOM 319 CD1 ILE A 20 3.086 -2.956 -6.427 1.00 0.00 C ATOM 0 H ILE A 20 6.295 -3.321 -9.809 1.00 0.00 H new ATOM 0 HA ILE A 20 4.302 -1.378 -8.841 1.00 0.00 H new ATOM 0 HB ILE A 20 4.700 -3.801 -8.122 1.00 0.00 H new ATOM 0 HG12 ILE A 20 5.056 -2.922 -5.534 1.00 0.00 H new ATOM 0 HG13 ILE A 20 4.606 -1.421 -6.318 1.00 0.00 H new ATOM 0 HG21 ILE A 20 6.642 -4.243 -6.645 1.00 0.00 H new ATOM 0 HG22 ILE A 20 7.171 -3.755 -8.273 1.00 0.00 H new ATOM 0 HG23 ILE A 20 7.234 -2.589 -6.929 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.591 -2.627 -5.513 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.584 -2.518 -7.290 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.040 -4.043 -6.493 1.00 0.00 H new ATOM 331 N ALA A 21 7.476 -0.783 -8.448 1.00 0.00 N ATOM 332 CA ALA A 21 8.411 0.291 -8.007 1.00 0.00 C ATOM 333 C ALA A 21 7.981 1.632 -8.606 1.00 0.00 C ATOM 334 O ALA A 21 7.672 2.569 -7.898 1.00 0.00 O ATOM 335 CB ALA A 21 9.780 -0.124 -8.546 1.00 0.00 C ATOM 0 H ALA A 21 7.912 -1.562 -8.942 1.00 0.00 H new ATOM 0 HA ALA A 21 8.424 0.412 -6.924 1.00 0.00 H new ATOM 0 HB1 ALA A 21 10.524 0.620 -8.261 1.00 0.00 H new ATOM 0 HB2 ALA A 21 10.057 -1.092 -8.129 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.737 -0.196 -9.633 1.00 0.00 H new ATOM 341 N MET A 22 7.951 1.736 -9.906 1.00 0.00 N ATOM 342 CA MET A 22 7.533 3.025 -10.526 1.00 0.00 C ATOM 343 C MET A 22 6.082 3.318 -10.166 1.00 0.00 C ATOM 344 O MET A 22 5.665 4.456 -10.078 1.00 0.00 O ATOM 345 CB MET A 22 7.691 2.826 -12.033 1.00 0.00 C ATOM 346 CG MET A 22 6.930 3.926 -12.775 1.00 0.00 C ATOM 347 SD MET A 22 7.977 4.607 -14.082 1.00 0.00 S ATOM 348 CE MET A 22 8.054 3.117 -15.104 1.00 0.00 C ATOM 0 H MET A 22 8.195 0.993 -10.560 1.00 0.00 H new ATOM 0 HA MET A 22 8.130 3.867 -10.176 1.00 0.00 H new ATOM 0 HB2 MET A 22 8.746 2.852 -12.305 1.00 0.00 H new ATOM 0 HB3 MET A 22 7.311 1.847 -12.323 1.00 0.00 H new ATOM 0 HG2 MET A 22 6.012 3.523 -13.203 1.00 0.00 H new ATOM 0 HG3 MET A 22 6.639 4.714 -12.080 1.00 0.00 H new ATOM 0 HE1 MET A 22 8.444 3.372 -16.090 1.00 0.00 H new ATOM 0 HE2 MET A 22 8.710 2.386 -14.632 1.00 0.00 H new ATOM 0 HE3 MET A 22 7.055 2.694 -15.207 1.00 0.00 H new ATOM 358 N LEU A 23 5.318 2.296 -9.926 1.00 0.00 N ATOM 359 CA LEU A 23 3.900 2.502 -9.536 1.00 0.00 C ATOM 360 C LEU A 23 3.859 3.113 -8.126 1.00 0.00 C ATOM 361 O LEU A 23 2.812 3.448 -7.611 1.00 0.00 O ATOM 362 CB LEU A 23 3.298 1.089 -9.573 1.00 0.00 C ATOM 363 CG LEU A 23 1.985 1.016 -8.782 1.00 0.00 C ATOM 364 CD1 LEU A 23 2.288 0.974 -7.283 1.00 0.00 C ATOM 365 CD2 LEU A 23 1.108 2.232 -9.099 1.00 0.00 C ATOM 0 H LEU A 23 5.615 1.322 -9.983 1.00 0.00 H new ATOM 0 HA LEU A 23 3.348 3.182 -10.185 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.118 0.796 -10.607 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.013 0.377 -9.160 1.00 0.00 H new ATOM 0 HG LEU A 23 1.450 0.111 -9.068 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.354 0.922 -6.724 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.894 0.096 -7.059 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.833 1.874 -6.997 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.179 2.169 -8.532 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.638 3.144 -8.826 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.881 2.249 -10.165 1.00 0.00 H new ATOM 377 N ILE A 24 5.002 3.262 -7.502 1.00 0.00 N ATOM 378 CA ILE A 24 5.041 3.844 -6.132 1.00 0.00 C ATOM 379 C ILE A 24 5.504 5.301 -6.174 1.00 0.00 C ATOM 380 O ILE A 24 5.061 6.126 -5.400 1.00 0.00 O ATOM 381 CB ILE A 24 6.038 2.958 -5.368 1.00 0.00 C ATOM 382 CG1 ILE A 24 5.605 2.867 -3.904 1.00 0.00 C ATOM 383 CG2 ILE A 24 7.458 3.533 -5.427 1.00 0.00 C ATOM 384 CD1 ILE A 24 6.220 1.619 -3.263 1.00 0.00 C ATOM 0 H ILE A 24 5.910 3.004 -7.887 1.00 0.00 H new ATOM 0 HA ILE A 24 4.061 3.859 -5.655 1.00 0.00 H new ATOM 0 HB ILE A 24 6.044 1.973 -5.834 1.00 0.00 H new ATOM 0 HG12 ILE A 24 5.922 3.759 -3.364 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.518 2.824 -3.838 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.137 2.882 -4.877 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.781 3.599 -6.466 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.467 4.527 -4.980 1.00 0.00 H new ATOM 0 HD11 ILE A 24 5.910 1.556 -2.220 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.881 0.731 -3.797 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.307 1.681 -3.316 1.00 0.00 H new ATOM 396 N GLU A 25 6.400 5.623 -7.063 1.00 0.00 N ATOM 397 CA GLU A 25 6.891 7.024 -7.135 1.00 0.00 C ATOM 398 C GLU A 25 5.850 7.911 -7.813 1.00 0.00 C ATOM 399 O GLU A 25 5.748 9.086 -7.535 1.00 0.00 O ATOM 400 CB GLU A 25 8.181 6.954 -7.945 1.00 0.00 C ATOM 401 CG GLU A 25 9.157 6.006 -7.244 1.00 0.00 C ATOM 402 CD GLU A 25 10.587 6.524 -7.410 1.00 0.00 C ATOM 403 OE1 GLU A 25 10.758 7.731 -7.453 1.00 0.00 O ATOM 404 OE2 GLU A 25 11.486 5.704 -7.489 1.00 0.00 O ATOM 0 H GLU A 25 6.811 4.980 -7.739 1.00 0.00 H new ATOM 0 HA GLU A 25 7.068 7.457 -6.150 1.00 0.00 H new ATOM 0 HB2 GLU A 25 7.973 6.601 -8.955 1.00 0.00 H new ATOM 0 HB3 GLU A 25 8.621 7.947 -8.039 1.00 0.00 H new ATOM 0 HG2 GLU A 25 8.908 5.930 -6.186 1.00 0.00 H new ATOM 0 HG3 GLU A 25 9.072 5.004 -7.665 1.00 0.00 H new ATOM 411 N ASP A 26 5.054 7.358 -8.682 1.00 0.00 N ATOM 412 CA ASP A 26 4.008 8.187 -9.334 1.00 0.00 C ATOM 413 C ASP A 26 2.981 8.576 -8.274 1.00 0.00 C ATOM 414 O ASP A 26 2.467 9.677 -8.258 1.00 0.00 O ATOM 415 CB ASP A 26 3.393 7.285 -10.406 1.00 0.00 C ATOM 416 CG ASP A 26 2.424 6.293 -9.758 1.00 0.00 C ATOM 417 OD1 ASP A 26 2.824 5.639 -8.808 1.00 0.00 O ATOM 418 OD2 ASP A 26 1.300 6.203 -10.222 1.00 0.00 O ATOM 0 H ASP A 26 5.082 6.379 -8.966 1.00 0.00 H new ATOM 0 HA ASP A 26 4.389 9.106 -9.779 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.868 7.890 -11.145 1.00 0.00 H new ATOM 0 HB3 ASP A 26 4.179 6.746 -10.935 1.00 0.00 H new ATOM 423 N THR A 27 2.703 7.676 -7.369 1.00 0.00 N ATOM 424 CA THR A 27 1.738 7.983 -6.286 1.00 0.00 C ATOM 425 C THR A 27 2.350 9.025 -5.355 1.00 0.00 C ATOM 426 O THR A 27 1.730 10.015 -5.018 1.00 0.00 O ATOM 427 CB THR A 27 1.531 6.669 -5.545 1.00 0.00 C ATOM 428 OG1 THR A 27 1.757 5.580 -6.429 1.00 0.00 O ATOM 429 CG2 THR A 27 0.103 6.610 -5.003 1.00 0.00 C ATOM 0 H THR A 27 3.107 6.740 -7.337 1.00 0.00 H new ATOM 0 HA THR A 27 0.796 8.381 -6.663 1.00 0.00 H new ATOM 0 HB THR A 27 2.234 6.605 -4.715 1.00 0.00 H new ATOM 0 HG1 THR A 27 2.667 5.240 -6.303 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.046 5.670 -4.472 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.061 7.443 -4.319 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.603 6.676 -5.831 1.00 0.00 H new ATOM 437 N LEU A 28 3.573 8.811 -4.948 1.00 0.00 N ATOM 438 CA LEU A 28 4.237 9.792 -4.050 1.00 0.00 C ATOM 439 C LEU A 28 4.249 11.161 -4.731 1.00 0.00 C ATOM 440 O LEU A 28 4.416 12.183 -4.098 1.00 0.00 O ATOM 441 CB LEU A 28 5.657 9.236 -3.823 1.00 0.00 C ATOM 442 CG LEU A 28 6.677 9.909 -4.754 1.00 0.00 C ATOM 443 CD1 LEU A 28 7.007 11.309 -4.231 1.00 0.00 C ATOM 444 CD2 LEU A 28 7.961 9.075 -4.799 1.00 0.00 C ATOM 0 H LEU A 28 4.138 8.000 -5.200 1.00 0.00 H new ATOM 0 HA LEU A 28 3.727 9.924 -3.096 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.950 9.394 -2.785 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.660 8.160 -3.995 1.00 0.00 H new ATOM 0 HG LEU A 28 6.252 9.983 -5.755 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.731 11.784 -4.894 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.097 11.909 -4.198 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.428 11.233 -3.229 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.683 9.554 -5.460 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.381 9.000 -3.796 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.734 8.077 -5.173 1.00 0.00 H new ATOM 456 N CYS A 29 4.053 11.183 -6.022 1.00 0.00 N ATOM 457 CA CYS A 29 4.029 12.481 -6.743 1.00 0.00 C ATOM 458 C CYS A 29 2.842 13.306 -6.238 1.00 0.00 C ATOM 459 O CYS A 29 2.823 14.517 -6.331 1.00 0.00 O ATOM 460 CB CYS A 29 3.851 12.118 -8.219 1.00 0.00 C ATOM 461 SG CYS A 29 4.805 13.269 -9.241 1.00 0.00 S ATOM 0 H CYS A 29 3.909 10.358 -6.605 1.00 0.00 H new ATOM 0 HA CYS A 29 4.932 13.072 -6.589 1.00 0.00 H new ATOM 0 HB2 CYS A 29 4.184 11.095 -8.396 1.00 0.00 H new ATOM 0 HB3 CYS A 29 2.796 12.161 -8.491 1.00 0.00 H new ATOM 0 HG CYS A 29 4.657 12.961 -10.495 1.00 0.00 H new ATOM 467 N GLU A 30 1.850 12.645 -5.699 1.00 0.00 N ATOM 468 CA GLU A 30 0.658 13.360 -5.177 1.00 0.00 C ATOM 469 C GLU A 30 0.819 13.642 -3.679 1.00 0.00 C ATOM 470 O GLU A 30 0.691 14.763 -3.229 1.00 0.00 O ATOM 471 CB GLU A 30 -0.511 12.403 -5.416 1.00 0.00 C ATOM 472 CG GLU A 30 -1.783 12.992 -4.807 1.00 0.00 C ATOM 473 CD GLU A 30 -1.949 14.436 -5.281 1.00 0.00 C ATOM 474 OE1 GLU A 30 -2.416 14.624 -6.393 1.00 0.00 O ATOM 475 OE2 GLU A 30 -1.605 15.329 -4.525 1.00 0.00 O ATOM 0 H GLU A 30 1.819 11.630 -5.600 1.00 0.00 H new ATOM 0 HA GLU A 30 0.508 14.322 -5.666 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.649 12.239 -6.485 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.297 11.432 -4.970 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.649 12.399 -5.101 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.728 12.958 -3.719 1.00 0.00 H new ATOM 482 N LEU A 31 1.097 12.626 -2.907 1.00 0.00 N ATOM 483 CA LEU A 31 1.264 12.822 -1.436 1.00 0.00 C ATOM 484 C LEU A 31 2.693 13.243 -1.109 1.00 0.00 C ATOM 485 O LEU A 31 2.948 13.909 -0.125 1.00 0.00 O ATOM 486 CB LEU A 31 1.007 11.447 -0.816 1.00 0.00 C ATOM 487 CG LEU A 31 -0.476 11.105 -0.871 1.00 0.00 C ATOM 488 CD1 LEU A 31 -0.709 10.065 -1.968 1.00 0.00 C ATOM 489 CD2 LEU A 31 -0.900 10.524 0.480 1.00 0.00 C ATOM 0 H LEU A 31 1.216 11.666 -3.231 1.00 0.00 H new ATOM 0 HA LEU A 31 0.591 13.594 -1.062 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.581 10.689 -1.348 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.350 11.438 0.219 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.060 12.000 -1.087 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.769 9.815 -2.013 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.391 10.471 -2.928 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.134 9.166 -1.746 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.961 10.275 0.452 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.321 9.624 0.687 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.720 11.259 1.265 1.00 0.00 H new ATOM 501 N GLY A 32 3.632 12.817 -1.902 1.00 0.00 N ATOM 502 CA GLY A 32 5.052 13.141 -1.613 1.00 0.00 C ATOM 503 C GLY A 32 5.646 11.955 -0.853 1.00 0.00 C ATOM 504 O GLY A 32 6.667 12.060 -0.201 1.00 0.00 O ATOM 0 H GLY A 32 3.476 12.257 -2.740 1.00 0.00 H new ATOM 0 HA2 GLY A 32 5.601 13.318 -2.538 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.125 14.052 -1.020 1.00 0.00 H new ATOM 508 N HIS A 33 4.988 10.827 -0.927 1.00 0.00 N ATOM 509 CA HIS A 33 5.466 9.615 -0.207 1.00 0.00 C ATOM 510 C HIS A 33 6.973 9.426 -0.377 1.00 0.00 C ATOM 511 O HIS A 33 7.495 9.403 -1.473 1.00 0.00 O ATOM 512 CB HIS A 33 4.707 8.450 -0.849 1.00 0.00 C ATOM 513 CG HIS A 33 3.377 8.272 -0.171 1.00 0.00 C ATOM 514 ND1 HIS A 33 2.190 8.212 -0.884 1.00 0.00 N ATOM 515 CD2 HIS A 33 3.029 8.134 1.149 1.00 0.00 C ATOM 516 CE1 HIS A 33 1.192 8.043 0.004 1.00 0.00 C ATOM 517 NE2 HIS A 33 1.650 7.991 1.257 1.00 0.00 N ATOM 0 H HIS A 33 4.130 10.695 -1.463 1.00 0.00 H new ATOM 0 HA HIS A 33 5.287 9.689 0.866 1.00 0.00 H new ATOM 0 HB2 HIS A 33 4.561 8.641 -1.912 1.00 0.00 H new ATOM 0 HB3 HIS A 33 5.292 7.534 -0.768 1.00 0.00 H new ATOM 0 HD1 HIS A 33 2.091 8.283 -1.897 1.00 0.00 H new ATOM 0 HD2 HIS A 33 3.721 8.136 1.978 1.00 0.00 H new ATOM 0 HE1 HIS A 33 0.149 7.960 -0.264 1.00 0.00 H new ATOM 525 N GLU A 34 7.673 9.265 0.705 1.00 0.00 N ATOM 526 CA GLU A 34 9.139 9.049 0.611 1.00 0.00 C ATOM 527 C GLU A 34 9.403 7.760 -0.171 1.00 0.00 C ATOM 528 O GLU A 34 8.645 7.389 -1.045 1.00 0.00 O ATOM 529 CB GLU A 34 9.598 8.906 2.063 1.00 0.00 C ATOM 530 CG GLU A 34 10.776 9.845 2.330 1.00 0.00 C ATOM 531 CD GLU A 34 11.150 9.785 3.813 1.00 0.00 C ATOM 532 OE1 GLU A 34 11.513 8.713 4.270 1.00 0.00 O ATOM 533 OE2 GLU A 34 11.061 10.811 4.469 1.00 0.00 O ATOM 0 H GLU A 34 7.294 9.273 1.652 1.00 0.00 H new ATOM 0 HA GLU A 34 9.664 9.855 0.099 1.00 0.00 H new ATOM 0 HB2 GLU A 34 8.775 9.139 2.739 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.891 7.875 2.261 1.00 0.00 H new ATOM 0 HG2 GLU A 34 11.630 9.558 1.717 1.00 0.00 H new ATOM 0 HG3 GLU A 34 10.512 10.865 2.051 1.00 0.00 H new ATOM 540 N VAL A 35 10.456 7.066 0.146 1.00 0.00 N ATOM 541 CA VAL A 35 10.754 5.790 -0.564 1.00 0.00 C ATOM 542 C VAL A 35 10.591 4.632 0.420 1.00 0.00 C ATOM 543 O VAL A 35 11.405 4.436 1.300 1.00 0.00 O ATOM 544 CB VAL A 35 12.205 5.913 -1.023 1.00 0.00 C ATOM 545 CG1 VAL A 35 12.646 4.603 -1.675 1.00 0.00 C ATOM 546 CG2 VAL A 35 12.323 7.050 -2.041 1.00 0.00 C ATOM 0 H VAL A 35 11.127 7.326 0.869 1.00 0.00 H new ATOM 0 HA VAL A 35 10.090 5.605 -1.409 1.00 0.00 H new ATOM 0 HB VAL A 35 12.841 6.125 -0.163 1.00 0.00 H new ATOM 0 HG11 VAL A 35 13.682 4.690 -2.003 1.00 0.00 H new ATOM 0 HG12 VAL A 35 12.561 3.791 -0.953 1.00 0.00 H new ATOM 0 HG13 VAL A 35 12.010 4.392 -2.535 1.00 0.00 H new ATOM 0 HG21 VAL A 35 13.359 7.139 -2.369 1.00 0.00 H new ATOM 0 HG22 VAL A 35 11.687 6.837 -2.900 1.00 0.00 H new ATOM 0 HG23 VAL A 35 12.007 7.986 -1.580 1.00 0.00 H new ATOM 556 N ALA A 36 9.529 3.888 0.306 1.00 0.00 N ATOM 557 CA ALA A 36 9.304 2.779 1.268 1.00 0.00 C ATOM 558 C ALA A 36 9.715 1.421 0.689 1.00 0.00 C ATOM 559 O ALA A 36 10.842 0.990 0.836 1.00 0.00 O ATOM 560 CB ALA A 36 7.804 2.815 1.548 1.00 0.00 C ATOM 0 H ALA A 36 8.810 4.000 -0.409 1.00 0.00 H new ATOM 0 HA ALA A 36 9.906 2.903 2.168 1.00 0.00 H new ATOM 0 HB1 ALA A 36 7.546 2.025 2.253 1.00 0.00 H new ATOM 0 HB2 ALA A 36 7.536 3.782 1.973 1.00 0.00 H new ATOM 0 HB3 ALA A 36 7.256 2.663 0.618 1.00 0.00 H new ATOM 566 N ALA A 37 8.806 0.733 0.052 1.00 0.00 N ATOM 567 CA ALA A 37 9.152 -0.605 -0.507 1.00 0.00 C ATOM 568 C ALA A 37 8.329 -0.920 -1.755 1.00 0.00 C ATOM 569 O ALA A 37 7.161 -0.600 -1.851 1.00 0.00 O ATOM 570 CB ALA A 37 8.809 -1.607 0.596 1.00 0.00 C ATOM 0 H ALA A 37 7.845 1.037 -0.105 1.00 0.00 H new ATOM 0 HA ALA A 37 10.201 -0.643 -0.801 1.00 0.00 H new ATOM 0 HB1 ALA A 37 9.038 -2.616 0.255 1.00 0.00 H new ATOM 0 HB2 ALA A 37 9.396 -1.383 1.487 1.00 0.00 H new ATOM 0 HB3 ALA A 37 7.748 -1.537 0.834 1.00 0.00 H new ATOM 576 N THR A 38 8.944 -1.567 -2.698 1.00 0.00 N ATOM 577 CA THR A 38 8.245 -1.956 -3.953 1.00 0.00 C ATOM 578 C THR A 38 8.767 -3.325 -4.393 1.00 0.00 C ATOM 579 O THR A 38 9.908 -3.665 -4.149 1.00 0.00 O ATOM 580 CB THR A 38 8.580 -0.879 -5.002 1.00 0.00 C ATOM 581 OG1 THR A 38 9.104 -1.506 -6.164 1.00 0.00 O ATOM 582 CG2 THR A 38 9.612 0.124 -4.463 1.00 0.00 C ATOM 0 H THR A 38 9.923 -1.850 -2.653 1.00 0.00 H new ATOM 0 HA THR A 38 7.165 -2.025 -3.821 1.00 0.00 H new ATOM 0 HB THR A 38 7.665 -0.336 -5.240 1.00 0.00 H new ATOM 0 HG1 THR A 38 10.053 -1.707 -6.027 1.00 0.00 H new ATOM 0 HG21 THR A 38 9.827 0.871 -5.227 1.00 0.00 H new ATOM 0 HG22 THR A 38 9.212 0.616 -3.577 1.00 0.00 H new ATOM 0 HG23 THR A 38 10.530 -0.403 -4.202 1.00 0.00 H new ATOM 590 N ALA A 39 7.923 -4.126 -4.985 1.00 0.00 N ATOM 591 CA ALA A 39 8.326 -5.505 -5.399 1.00 0.00 C ATOM 592 C ALA A 39 8.217 -6.380 -4.165 1.00 0.00 C ATOM 593 O ALA A 39 8.107 -5.882 -3.070 1.00 0.00 O ATOM 594 CB ALA A 39 9.768 -5.454 -5.890 1.00 0.00 C ATOM 0 H ALA A 39 6.957 -3.882 -5.203 1.00 0.00 H new ATOM 0 HA ALA A 39 7.697 -5.899 -6.198 1.00 0.00 H new ATOM 0 HB1 ALA A 39 10.083 -6.451 -6.198 1.00 0.00 H new ATOM 0 HB2 ALA A 39 9.840 -4.773 -6.738 1.00 0.00 H new ATOM 0 HB3 ALA A 39 10.414 -5.101 -5.086 1.00 0.00 H new ATOM 600 N SER A 40 8.191 -7.659 -4.308 1.00 0.00 N ATOM 601 CA SER A 40 8.026 -8.494 -3.093 1.00 0.00 C ATOM 602 C SER A 40 9.358 -8.965 -2.527 1.00 0.00 C ATOM 603 O SER A 40 10.153 -9.608 -3.184 1.00 0.00 O ATOM 604 CB SER A 40 7.146 -9.666 -3.512 1.00 0.00 C ATOM 605 OG SER A 40 7.940 -10.655 -4.154 1.00 0.00 O ATOM 0 H SER A 40 8.274 -8.163 -5.191 1.00 0.00 H new ATOM 0 HA SER A 40 7.570 -7.919 -2.287 1.00 0.00 H new ATOM 0 HB2 SER A 40 6.652 -10.093 -2.639 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.361 -9.322 -4.186 1.00 0.00 H new ATOM 0 HG SER A 40 8.885 -10.401 -4.100 1.00 0.00 H new ATOM 611 N ARG A 41 9.578 -8.650 -1.282 1.00 0.00 N ATOM 612 CA ARG A 41 10.816 -9.063 -0.592 1.00 0.00 C ATOM 613 C ARG A 41 10.466 -9.422 0.853 1.00 0.00 C ATOM 614 O ARG A 41 10.064 -8.579 1.630 1.00 0.00 O ATOM 615 CB ARG A 41 11.729 -7.837 -0.641 1.00 0.00 C ATOM 616 CG ARG A 41 13.189 -8.289 -0.671 1.00 0.00 C ATOM 617 CD ARG A 41 13.597 -8.607 -2.111 1.00 0.00 C ATOM 618 NE ARG A 41 14.246 -9.945 -2.038 1.00 0.00 N ATOM 619 CZ ARG A 41 15.404 -10.140 -2.606 1.00 0.00 C ATOM 620 NH1 ARG A 41 16.496 -9.732 -2.020 1.00 0.00 N ATOM 621 NH2 ARG A 41 15.472 -10.750 -3.758 1.00 0.00 N ATOM 0 H ARG A 41 8.932 -8.110 -0.706 1.00 0.00 H new ATOM 0 HA ARG A 41 11.297 -9.929 -1.047 1.00 0.00 H new ATOM 0 HB2 ARG A 41 11.504 -7.238 -1.524 1.00 0.00 H new ATOM 0 HB3 ARG A 41 11.551 -7.203 0.228 1.00 0.00 H new ATOM 0 HG2 ARG A 41 13.831 -7.507 -0.264 1.00 0.00 H new ATOM 0 HG3 ARG A 41 13.321 -9.169 -0.042 1.00 0.00 H new ATOM 0 HD2 ARG A 41 12.731 -8.623 -2.773 1.00 0.00 H new ATOM 0 HD3 ARG A 41 14.283 -7.856 -2.502 1.00 0.00 H new ATOM 0 HE ARG A 41 13.785 -10.709 -1.544 1.00 0.00 H new ATOM 0 HH11 ARG A 41 16.445 -9.260 -1.117 1.00 0.00 H new ATOM 0 HH12 ARG A 41 17.401 -9.885 -2.465 1.00 0.00 H new ATOM 0 HH21 ARG A 41 14.619 -11.074 -4.214 1.00 0.00 H new ATOM 0 HH22 ARG A 41 16.378 -10.902 -4.202 1.00 0.00 H new ATOM 635 N MET A 42 10.597 -10.666 1.215 1.00 0.00 N ATOM 636 CA MET A 42 10.252 -11.075 2.605 1.00 0.00 C ATOM 637 C MET A 42 10.884 -10.115 3.619 1.00 0.00 C ATOM 638 O MET A 42 10.360 -9.903 4.696 1.00 0.00 O ATOM 639 CB MET A 42 10.818 -12.487 2.743 1.00 0.00 C ATOM 640 CG MET A 42 9.856 -13.477 2.078 1.00 0.00 C ATOM 641 SD MET A 42 10.413 -15.172 2.389 1.00 0.00 S ATOM 642 CE MET A 42 11.175 -15.458 0.772 1.00 0.00 C ATOM 0 H MET A 42 10.928 -11.417 0.610 1.00 0.00 H new ATOM 0 HA MET A 42 9.179 -11.050 2.797 1.00 0.00 H new ATOM 0 HB2 MET A 42 11.801 -12.546 2.276 1.00 0.00 H new ATOM 0 HB3 MET A 42 10.949 -12.739 3.795 1.00 0.00 H new ATOM 0 HG2 MET A 42 8.848 -13.338 2.469 1.00 0.00 H new ATOM 0 HG3 MET A 42 9.811 -13.290 1.005 1.00 0.00 H new ATOM 0 HE1 MET A 42 11.593 -16.464 0.739 1.00 0.00 H new ATOM 0 HE2 MET A 42 10.422 -15.352 -0.009 1.00 0.00 H new ATOM 0 HE3 MET A 42 11.970 -14.730 0.610 1.00 0.00 H new ATOM 652 N GLN A 43 11.996 -9.521 3.281 1.00 0.00 N ATOM 653 CA GLN A 43 12.645 -8.567 4.225 1.00 0.00 C ATOM 654 C GLN A 43 11.946 -7.205 4.154 1.00 0.00 C ATOM 655 O GLN A 43 11.627 -6.606 5.161 1.00 0.00 O ATOM 656 CB GLN A 43 14.094 -8.453 3.747 1.00 0.00 C ATOM 657 CG GLN A 43 14.898 -7.631 4.758 1.00 0.00 C ATOM 658 CD GLN A 43 15.716 -6.566 4.025 1.00 0.00 C ATOM 659 OE1 GLN A 43 16.611 -6.884 3.266 1.00 0.00 O ATOM 660 NE2 GLN A 43 15.444 -5.305 4.224 1.00 0.00 N ATOM 0 H GLN A 43 12.482 -9.654 2.394 1.00 0.00 H new ATOM 0 HA GLN A 43 12.587 -8.904 5.260 1.00 0.00 H new ATOM 0 HB2 GLN A 43 14.532 -9.445 3.638 1.00 0.00 H new ATOM 0 HB3 GLN A 43 14.129 -7.979 2.766 1.00 0.00 H new ATOM 0 HG2 GLN A 43 14.225 -7.158 5.473 1.00 0.00 H new ATOM 0 HG3 GLN A 43 15.560 -8.284 5.327 1.00 0.00 H new ATOM 0 HE21 GLN A 43 14.693 -5.040 4.861 1.00 0.00 H new ATOM 0 HE22 GLN A 43 15.983 -4.585 3.742 1.00 0.00 H new ATOM 669 N GLU A 44 11.709 -6.712 2.966 1.00 0.00 N ATOM 670 CA GLU A 44 11.035 -5.390 2.824 1.00 0.00 C ATOM 671 C GLU A 44 9.586 -5.467 3.313 1.00 0.00 C ATOM 672 O GLU A 44 9.128 -4.619 4.051 1.00 0.00 O ATOM 673 CB GLU A 44 11.086 -5.079 1.328 1.00 0.00 C ATOM 674 CG GLU A 44 12.540 -5.126 0.853 1.00 0.00 C ATOM 675 CD GLU A 44 13.084 -3.701 0.729 1.00 0.00 C ATOM 676 OE1 GLU A 44 13.463 -3.144 1.745 1.00 0.00 O ATOM 677 OE2 GLU A 44 13.111 -3.192 -0.379 1.00 0.00 O ATOM 0 H GLU A 44 11.954 -7.170 2.088 1.00 0.00 H new ATOM 0 HA GLU A 44 11.521 -4.616 3.419 1.00 0.00 H new ATOM 0 HB2 GLU A 44 10.486 -5.801 0.774 1.00 0.00 H new ATOM 0 HB3 GLU A 44 10.659 -4.095 1.134 1.00 0.00 H new ATOM 0 HG2 GLU A 44 13.145 -5.697 1.557 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.603 -5.635 -0.109 1.00 0.00 H new ATOM 684 N ALA A 45 8.859 -6.475 2.911 1.00 0.00 N ATOM 685 CA ALA A 45 7.443 -6.593 3.364 1.00 0.00 C ATOM 686 C ALA A 45 7.383 -6.555 4.893 1.00 0.00 C ATOM 687 O ALA A 45 6.720 -5.727 5.481 1.00 0.00 O ATOM 688 CB ALA A 45 6.969 -7.949 2.846 1.00 0.00 C ATOM 0 H ALA A 45 9.182 -7.218 2.292 1.00 0.00 H new ATOM 0 HA ALA A 45 6.820 -5.779 2.994 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.932 -8.109 3.141 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.045 -7.970 1.759 1.00 0.00 H new ATOM 0 HB3 ALA A 45 7.592 -8.738 3.268 1.00 0.00 H new ATOM 694 N LEU A 46 8.080 -7.447 5.536 1.00 0.00 N ATOM 695 CA LEU A 46 8.080 -7.471 7.026 1.00 0.00 C ATOM 696 C LEU A 46 8.186 -6.049 7.564 1.00 0.00 C ATOM 697 O LEU A 46 7.597 -5.701 8.568 1.00 0.00 O ATOM 698 CB LEU A 46 9.325 -8.274 7.395 1.00 0.00 C ATOM 699 CG LEU A 46 9.545 -8.218 8.905 1.00 0.00 C ATOM 700 CD1 LEU A 46 9.644 -9.641 9.459 1.00 0.00 C ATOM 701 CD2 LEU A 46 10.844 -7.464 9.196 1.00 0.00 C ATOM 0 H LEU A 46 8.653 -8.165 5.093 1.00 0.00 H new ATOM 0 HA LEU A 46 7.171 -7.906 7.442 1.00 0.00 H new ATOM 0 HB2 LEU A 46 9.211 -9.309 7.073 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.195 -7.873 6.876 1.00 0.00 H new ATOM 0 HG LEU A 46 8.709 -7.704 9.379 1.00 0.00 H new ATOM 0 HD11 LEU A 46 9.801 -9.602 10.537 1.00 0.00 H new ATOM 0 HD12 LEU A 46 8.720 -10.179 9.246 1.00 0.00 H new ATOM 0 HD13 LEU A 46 10.481 -10.157 8.989 1.00 0.00 H new ATOM 0 HD21 LEU A 46 11.006 -7.421 10.273 1.00 0.00 H new ATOM 0 HD22 LEU A 46 11.679 -7.982 8.724 1.00 0.00 H new ATOM 0 HD23 LEU A 46 10.774 -6.451 8.799 1.00 0.00 H new ATOM 713 N ASP A 47 8.944 -5.231 6.898 1.00 0.00 N ATOM 714 CA ASP A 47 9.109 -3.823 7.355 1.00 0.00 C ATOM 715 C ASP A 47 7.761 -3.091 7.336 1.00 0.00 C ATOM 716 O ASP A 47 7.392 -2.435 8.288 1.00 0.00 O ATOM 717 CB ASP A 47 10.083 -3.192 6.360 1.00 0.00 C ATOM 718 CG ASP A 47 11.346 -2.742 7.099 1.00 0.00 C ATOM 719 OD1 ASP A 47 11.602 -3.270 8.168 1.00 0.00 O ATOM 720 OD2 ASP A 47 12.035 -1.878 6.582 1.00 0.00 O ATOM 0 H ASP A 47 9.460 -5.475 6.053 1.00 0.00 H new ATOM 0 HA ASP A 47 9.481 -3.765 8.378 1.00 0.00 H new ATOM 0 HB2 ASP A 47 10.341 -3.910 5.581 1.00 0.00 H new ATOM 0 HB3 ASP A 47 9.615 -2.341 5.866 1.00 0.00 H new ATOM 725 N ILE A 48 7.020 -3.201 6.265 1.00 0.00 N ATOM 726 CA ILE A 48 5.699 -2.510 6.206 1.00 0.00 C ATOM 727 C ILE A 48 4.846 -2.983 7.382 1.00 0.00 C ATOM 728 O ILE A 48 3.943 -2.306 7.825 1.00 0.00 O ATOM 729 CB ILE A 48 5.061 -2.874 4.841 1.00 0.00 C ATOM 730 CG1 ILE A 48 4.248 -4.171 4.941 1.00 0.00 C ATOM 731 CG2 ILE A 48 6.152 -3.047 3.780 1.00 0.00 C ATOM 732 CD1 ILE A 48 3.924 -4.677 3.529 1.00 0.00 C ATOM 0 H ILE A 48 7.270 -3.736 5.433 1.00 0.00 H new ATOM 0 HA ILE A 48 5.790 -1.427 6.283 1.00 0.00 H new ATOM 0 HB ILE A 48 4.393 -2.061 4.557 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.812 -4.926 5.490 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.327 -3.994 5.497 1.00 0.00 H new ATOM 0 HG21 ILE A 48 5.693 -3.303 2.825 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.710 -2.116 3.677 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.830 -3.845 4.082 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.346 -5.599 3.596 1.00 0.00 H new ATOM 0 HD12 ILE A 48 3.344 -3.923 2.997 1.00 0.00 H new ATOM 0 HD13 ILE A 48 4.851 -4.869 2.990 1.00 0.00 H new ATOM 744 N ALA A 49 5.145 -4.141 7.904 1.00 0.00 N ATOM 745 CA ALA A 49 4.379 -4.658 9.064 1.00 0.00 C ATOM 746 C ALA A 49 5.073 -4.252 10.368 1.00 0.00 C ATOM 747 O ALA A 49 4.525 -3.538 11.183 1.00 0.00 O ATOM 748 CB ALA A 49 4.401 -6.179 8.909 1.00 0.00 C ATOM 0 H ALA A 49 5.892 -4.752 7.572 1.00 0.00 H new ATOM 0 HA ALA A 49 3.363 -4.264 9.097 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.853 -6.637 9.732 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.934 -6.455 7.964 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.433 -6.531 8.920 1.00 0.00 H new ATOM 754 N ARG A 50 6.282 -4.710 10.564 1.00 0.00 N ATOM 755 CA ARG A 50 7.032 -4.368 11.808 1.00 0.00 C ATOM 756 C ARG A 50 7.152 -2.851 11.960 1.00 0.00 C ATOM 757 O ARG A 50 7.251 -2.332 13.054 1.00 0.00 O ATOM 758 CB ARG A 50 8.412 -4.996 11.612 1.00 0.00 C ATOM 759 CG ARG A 50 8.476 -6.336 12.349 1.00 0.00 C ATOM 760 CD ARG A 50 7.574 -7.352 11.644 1.00 0.00 C ATOM 761 NE ARG A 50 6.261 -7.239 12.338 1.00 0.00 N ATOM 762 CZ ARG A 50 5.893 -8.151 13.198 1.00 0.00 C ATOM 763 NH1 ARG A 50 6.791 -8.827 13.860 1.00 0.00 N ATOM 764 NH2 ARG A 50 4.624 -8.385 13.397 1.00 0.00 N ATOM 0 H ARG A 50 6.785 -5.310 9.911 1.00 0.00 H new ATOM 0 HA ARG A 50 6.534 -4.734 12.706 1.00 0.00 H new ATOM 0 HB2 ARG A 50 8.608 -5.144 10.550 1.00 0.00 H new ATOM 0 HB3 ARG A 50 9.185 -4.325 11.988 1.00 0.00 H new ATOM 0 HG2 ARG A 50 9.503 -6.701 12.373 1.00 0.00 H new ATOM 0 HG3 ARG A 50 8.159 -6.209 13.384 1.00 0.00 H new ATOM 0 HD2 ARG A 50 7.481 -7.128 10.581 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.978 -8.361 11.723 1.00 0.00 H new ATOM 0 HE ARG A 50 5.648 -6.448 12.141 1.00 0.00 H new ATOM 0 HH11 ARG A 50 7.783 -8.644 13.707 1.00 0.00 H new ATOM 0 HH12 ARG A 50 6.502 -9.539 14.531 1.00 0.00 H new ATOM 0 HH21 ARG A 50 3.921 -7.856 12.881 1.00 0.00 H new ATOM 0 HH22 ARG A 50 4.336 -9.097 14.068 1.00 0.00 H new ATOM 778 N LYS A 51 7.141 -2.136 10.870 1.00 0.00 N ATOM 779 CA LYS A 51 7.252 -0.654 10.957 1.00 0.00 C ATOM 780 C LYS A 51 6.166 -0.109 11.882 1.00 0.00 C ATOM 781 O LYS A 51 6.378 0.834 12.619 1.00 0.00 O ATOM 782 CB LYS A 51 7.031 -0.160 9.532 1.00 0.00 C ATOM 783 CG LYS A 51 6.975 1.364 9.528 1.00 0.00 C ATOM 784 CD LYS A 51 8.219 1.931 10.218 1.00 0.00 C ATOM 785 CE LYS A 51 9.478 1.310 9.602 1.00 0.00 C ATOM 786 NZ LYS A 51 10.360 2.466 9.274 1.00 0.00 N ATOM 0 H LYS A 51 7.060 -2.513 9.925 1.00 0.00 H new ATOM 0 HA LYS A 51 8.213 -0.329 11.357 1.00 0.00 H new ATOM 0 HB2 LYS A 51 7.837 -0.507 8.886 1.00 0.00 H new ATOM 0 HB3 LYS A 51 6.103 -0.570 9.133 1.00 0.00 H new ATOM 0 HG2 LYS A 51 6.917 1.732 8.504 1.00 0.00 H new ATOM 0 HG3 LYS A 51 6.076 1.705 10.041 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.245 3.015 10.109 1.00 0.00 H new ATOM 0 HD3 LYS A 51 8.183 1.719 11.287 1.00 0.00 H new ATOM 0 HE2 LYS A 51 9.964 0.629 10.301 1.00 0.00 H new ATOM 0 HE3 LYS A 51 9.237 0.732 8.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 11.243 2.119 8.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 9.874 3.094 8.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 10.579 2.993 10.143 1.00 0.00 H new ATOM 800 N GLY A 52 5.005 -0.704 11.854 1.00 0.00 N ATOM 801 CA GLY A 52 3.903 -0.232 12.735 1.00 0.00 C ATOM 802 C GLY A 52 3.470 1.172 12.317 1.00 0.00 C ATOM 803 O GLY A 52 2.350 1.389 11.896 1.00 0.00 O ATOM 0 H GLY A 52 4.773 -1.498 11.257 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.057 -0.917 12.673 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.233 -0.226 13.774 1.00 0.00 H new ATOM 807 N GLN A 53 4.342 2.132 12.441 1.00 0.00 N ATOM 808 CA GLN A 53 3.973 3.525 12.068 1.00 0.00 C ATOM 809 C GLN A 53 3.970 3.717 10.545 1.00 0.00 C ATOM 810 O GLN A 53 3.834 4.823 10.062 1.00 0.00 O ATOM 811 CB GLN A 53 5.046 4.401 12.716 1.00 0.00 C ATOM 812 CG GLN A 53 6.344 4.308 11.910 1.00 0.00 C ATOM 813 CD GLN A 53 7.468 5.011 12.672 1.00 0.00 C ATOM 814 OE1 GLN A 53 7.762 4.665 13.798 1.00 0.00 O ATOM 815 NE2 GLN A 53 8.114 5.993 12.101 1.00 0.00 N ATOM 0 H GLN A 53 5.295 2.012 12.785 1.00 0.00 H new ATOM 0 HA GLN A 53 2.968 3.777 12.405 1.00 0.00 H new ATOM 0 HB2 GLN A 53 4.707 5.436 12.759 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.220 4.080 13.743 1.00 0.00 H new ATOM 0 HG2 GLN A 53 6.604 3.263 11.739 1.00 0.00 H new ATOM 0 HG3 GLN A 53 6.211 4.768 10.931 1.00 0.00 H new ATOM 0 HE21 GLN A 53 7.867 6.284 11.155 1.00 0.00 H new ATOM 0 HE22 GLN A 53 8.865 6.469 12.601 1.00 0.00 H new ATOM 824 N PHE A 54 4.113 2.668 9.774 1.00 0.00 N ATOM 825 CA PHE A 54 4.107 2.860 8.294 1.00 0.00 C ATOM 826 C PHE A 54 2.714 3.278 7.834 1.00 0.00 C ATOM 827 O PHE A 54 1.725 2.988 8.477 1.00 0.00 O ATOM 828 CB PHE A 54 4.529 1.520 7.675 1.00 0.00 C ATOM 829 CG PHE A 54 3.341 0.623 7.430 1.00 0.00 C ATOM 830 CD1 PHE A 54 2.831 -0.122 8.488 1.00 0.00 C ATOM 831 CD2 PHE A 54 2.759 0.522 6.157 1.00 0.00 C ATOM 832 CE1 PHE A 54 1.742 -0.964 8.295 1.00 0.00 C ATOM 833 CE2 PHE A 54 1.665 -0.322 5.964 1.00 0.00 C ATOM 834 CZ PHE A 54 1.154 -1.067 7.033 1.00 0.00 C ATOM 0 H PHE A 54 4.231 1.708 10.097 1.00 0.00 H new ATOM 0 HA PHE A 54 4.794 3.647 7.983 1.00 0.00 H new ATOM 0 HB2 PHE A 54 5.049 1.701 6.734 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.234 1.018 8.338 1.00 0.00 H new ATOM 0 HD1 PHE A 54 3.284 -0.046 9.465 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.156 1.094 5.331 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.351 -1.539 9.121 1.00 0.00 H new ATOM 0 HE2 PHE A 54 1.211 -0.401 4.987 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.307 -1.720 6.882 1.00 0.00 H new ATOM 844 N ASP A 55 2.628 3.971 6.737 1.00 0.00 N ATOM 845 CA ASP A 55 1.296 4.416 6.262 1.00 0.00 C ATOM 846 C ASP A 55 0.629 3.350 5.390 1.00 0.00 C ATOM 847 O ASP A 55 -0.393 2.831 5.754 1.00 0.00 O ATOM 848 CB ASP A 55 1.547 5.691 5.463 1.00 0.00 C ATOM 849 CG ASP A 55 0.204 6.329 5.105 1.00 0.00 C ATOM 850 OD1 ASP A 55 -0.813 5.735 5.425 1.00 0.00 O ATOM 851 OD2 ASP A 55 0.215 7.397 4.518 1.00 0.00 O ATOM 0 H ASP A 55 3.418 4.246 6.153 1.00 0.00 H new ATOM 0 HA ASP A 55 0.618 4.590 7.098 1.00 0.00 H new ATOM 0 HB2 ASP A 55 2.151 6.387 6.045 1.00 0.00 H new ATOM 0 HB3 ASP A 55 2.108 5.463 4.557 1.00 0.00 H new ATOM 856 N ILE A 56 1.162 3.028 4.235 1.00 0.00 N ATOM 857 CA ILE A 56 0.460 2.010 3.384 1.00 0.00 C ATOM 858 C ILE A 56 1.331 0.782 3.068 1.00 0.00 C ATOM 859 O ILE A 56 2.542 0.862 3.013 1.00 0.00 O ATOM 860 CB ILE A 56 0.112 2.770 2.104 1.00 0.00 C ATOM 861 CG1 ILE A 56 -0.799 3.968 2.451 1.00 0.00 C ATOM 862 CG2 ILE A 56 -0.571 1.823 1.112 1.00 0.00 C ATOM 863 CD1 ILE A 56 -2.277 3.579 2.364 1.00 0.00 C ATOM 0 H ILE A 56 2.026 3.411 3.852 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.411 1.603 3.898 1.00 0.00 H new ATOM 0 HB ILE A 56 1.020 3.152 1.638 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.572 4.323 3.456 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.596 4.793 1.768 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.818 2.367 0.201 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.102 1.000 0.872 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.484 1.427 1.557 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.895 4.441 2.613 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.507 3.248 1.351 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.482 2.770 3.065 1.00 0.00 H new ATOM 875 N ALA A 57 0.704 -0.364 2.853 1.00 0.00 N ATOM 876 CA ALA A 57 1.481 -1.611 2.535 1.00 0.00 C ATOM 877 C ALA A 57 0.700 -2.463 1.533 1.00 0.00 C ATOM 878 O ALA A 57 -0.480 -2.677 1.691 1.00 0.00 O ATOM 879 CB ALA A 57 1.621 -2.357 3.863 1.00 0.00 C ATOM 0 H ALA A 57 -0.308 -0.484 2.885 1.00 0.00 H new ATOM 0 HA ALA A 57 2.453 -1.388 2.094 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.179 -3.280 3.705 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.152 -1.729 4.579 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.631 -2.594 4.253 1.00 0.00 H new ATOM 885 N ILE A 58 1.328 -2.945 0.494 1.00 0.00 N ATOM 886 CA ILE A 58 0.555 -3.752 -0.495 1.00 0.00 C ATOM 887 C ILE A 58 1.323 -4.975 -1.001 1.00 0.00 C ATOM 888 O ILE A 58 2.071 -4.901 -1.955 1.00 0.00 O ATOM 889 CB ILE A 58 0.295 -2.791 -1.653 1.00 0.00 C ATOM 890 CG1 ILE A 58 -0.741 -1.752 -1.230 1.00 0.00 C ATOM 891 CG2 ILE A 58 -0.228 -3.567 -2.861 1.00 0.00 C ATOM 892 CD1 ILE A 58 -0.027 -0.563 -0.592 1.00 0.00 C ATOM 0 H ILE A 58 2.319 -2.820 0.289 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.353 -4.148 -0.040 1.00 0.00 H new ATOM 0 HB ILE A 58 1.226 -2.291 -1.921 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.318 -1.424 -2.094 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.446 -2.190 -0.523 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.412 -2.877 -3.685 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.512 -4.307 -3.166 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.157 -4.071 -2.595 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.762 0.182 -0.288 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.531 -0.900 0.282 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.660 -0.121 -1.314 1.00 0.00 H new ATOM 904 N ILE A 59 1.086 -6.114 -0.413 1.00 0.00 N ATOM 905 CA ILE A 59 1.738 -7.359 -0.908 1.00 0.00 C ATOM 906 C ILE A 59 0.772 -7.989 -1.912 1.00 0.00 C ATOM 907 O ILE A 59 0.308 -9.098 -1.738 1.00 0.00 O ATOM 908 CB ILE A 59 1.868 -8.275 0.307 1.00 0.00 C ATOM 909 CG1 ILE A 59 2.202 -7.468 1.569 1.00 0.00 C ATOM 910 CG2 ILE A 59 2.962 -9.300 0.042 1.00 0.00 C ATOM 911 CD1 ILE A 59 3.335 -6.488 1.277 1.00 0.00 C ATOM 0 H ILE A 59 0.469 -6.237 0.390 1.00 0.00 H new ATOM 0 HA ILE A 59 2.709 -7.185 -1.373 1.00 0.00 H new ATOM 0 HB ILE A 59 0.917 -8.781 0.472 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.319 -6.926 1.908 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.492 -8.142 2.375 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.061 -9.958 0.905 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.702 -9.891 -0.837 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.907 -8.786 -0.133 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.566 -5.919 2.178 1.00 0.00 H new ATOM 0 HD12 ILE A 59 4.220 -7.039 0.959 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.030 -5.804 0.485 1.00 0.00 H new ATOM 923 N ASP A 60 0.413 -7.252 -2.921 1.00 0.00 N ATOM 924 CA ASP A 60 -0.588 -7.749 -3.906 1.00 0.00 C ATOM 925 C ASP A 60 -0.163 -9.033 -4.610 1.00 0.00 C ATOM 926 O ASP A 60 0.865 -9.615 -4.332 1.00 0.00 O ATOM 927 CB ASP A 60 -0.717 -6.612 -4.926 1.00 0.00 C ATOM 928 CG ASP A 60 0.551 -6.534 -5.797 1.00 0.00 C ATOM 929 OD1 ASP A 60 1.076 -7.576 -6.154 1.00 0.00 O ATOM 930 OD2 ASP A 60 0.972 -5.430 -6.102 1.00 0.00 O ATOM 0 H ASP A 60 0.773 -6.316 -3.109 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.522 -8.000 -3.404 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.591 -6.776 -5.556 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.871 -5.665 -4.409 1.00 0.00 H new ATOM 935 N VAL A 61 -0.979 -9.448 -5.544 1.00 0.00 N ATOM 936 CA VAL A 61 -0.703 -10.671 -6.332 1.00 0.00 C ATOM 937 C VAL A 61 -0.261 -11.807 -5.415 1.00 0.00 C ATOM 938 O VAL A 61 0.842 -11.848 -4.909 1.00 0.00 O ATOM 939 CB VAL A 61 0.363 -10.249 -7.352 1.00 0.00 C ATOM 940 CG1 VAL A 61 1.732 -10.863 -7.035 1.00 0.00 C ATOM 941 CG2 VAL A 61 -0.082 -10.693 -8.748 1.00 0.00 C ATOM 0 H VAL A 61 -1.846 -8.973 -5.794 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.580 -11.062 -6.847 1.00 0.00 H new ATOM 0 HB VAL A 61 0.467 -9.165 -7.307 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.458 -10.539 -7.781 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.057 -10.537 -6.047 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.656 -11.950 -7.051 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.669 -10.398 -9.480 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.199 -11.777 -8.765 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.033 -10.221 -8.994 1.00 0.00 H new ATOM 951 N ASN A 62 -1.134 -12.738 -5.211 1.00 0.00 N ATOM 952 CA ASN A 62 -0.799 -13.892 -4.348 1.00 0.00 C ATOM 953 C ASN A 62 -1.241 -15.164 -5.060 1.00 0.00 C ATOM 954 O ASN A 62 -1.893 -16.024 -4.502 1.00 0.00 O ATOM 955 CB ASN A 62 -1.532 -13.698 -3.007 1.00 0.00 C ATOM 956 CG ASN A 62 -2.539 -12.557 -3.076 1.00 0.00 C ATOM 957 OD1 ASN A 62 -2.505 -11.662 -2.257 1.00 0.00 O ATOM 958 ND2 ASN A 62 -3.436 -12.551 -4.017 1.00 0.00 N ATOM 0 H ASN A 62 -2.074 -12.751 -5.607 1.00 0.00 H new ATOM 0 HA ASN A 62 0.271 -13.968 -4.154 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.045 -14.621 -2.736 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -0.805 -13.495 -2.221 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -4.115 -11.792 -4.069 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -3.461 -13.305 -4.703 1.00 0.00 H new ATOM 965 N LEU A 63 -0.867 -15.275 -6.302 1.00 0.00 N ATOM 966 CA LEU A 63 -1.224 -16.469 -7.106 1.00 0.00 C ATOM 967 C LEU A 63 -0.016 -16.860 -7.959 1.00 0.00 C ATOM 968 O LEU A 63 0.991 -16.178 -7.962 1.00 0.00 O ATOM 969 CB LEU A 63 -2.393 -16.017 -7.984 1.00 0.00 C ATOM 970 CG LEU A 63 -1.952 -14.839 -8.852 1.00 0.00 C ATOM 971 CD1 LEU A 63 -2.433 -15.055 -10.286 1.00 0.00 C ATOM 972 CD2 LEU A 63 -2.560 -13.546 -8.305 1.00 0.00 C ATOM 0 H LEU A 63 -0.319 -14.574 -6.801 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.497 -17.334 -6.502 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.729 -16.841 -8.614 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.239 -15.727 -7.361 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.865 -14.766 -8.838 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.119 -14.215 -10.906 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.003 -15.976 -10.679 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.521 -15.128 -10.298 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.246 -12.706 -8.924 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.647 -13.621 -8.320 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.221 -13.389 -7.281 1.00 0.00 H new ATOM 984 N ASP A 64 -0.088 -17.943 -8.675 1.00 0.00 N ATOM 985 CA ASP A 64 1.085 -18.340 -9.500 1.00 0.00 C ATOM 986 C ASP A 64 2.344 -18.317 -8.627 1.00 0.00 C ATOM 987 O ASP A 64 3.434 -18.060 -9.096 1.00 0.00 O ATOM 988 CB ASP A 64 1.176 -17.277 -10.597 1.00 0.00 C ATOM 989 CG ASP A 64 0.819 -17.904 -11.946 1.00 0.00 C ATOM 990 OD1 ASP A 64 0.016 -18.822 -11.956 1.00 0.00 O ATOM 991 OD2 ASP A 64 1.352 -17.454 -12.946 1.00 0.00 O ATOM 0 H ASP A 64 -0.896 -18.564 -8.726 1.00 0.00 H new ATOM 0 HA ASP A 64 0.990 -19.342 -9.918 1.00 0.00 H new ATOM 0 HB2 ASP A 64 0.498 -16.453 -10.376 1.00 0.00 H new ATOM 0 HB3 ASP A 64 2.183 -16.861 -10.632 1.00 0.00 H new ATOM 996 N GLY A 65 2.192 -18.581 -7.356 1.00 0.00 N ATOM 997 CA GLY A 65 3.370 -18.572 -6.439 1.00 0.00 C ATOM 998 C GLY A 65 2.994 -17.898 -5.116 1.00 0.00 C ATOM 999 O GLY A 65 3.771 -17.868 -4.183 1.00 0.00 O ATOM 0 H GLY A 65 1.301 -18.803 -6.912 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.707 -19.592 -6.255 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.201 -18.041 -6.905 1.00 0.00 H new ATOM 1003 N GLU A 66 1.808 -17.357 -5.035 1.00 0.00 N ATOM 1004 CA GLU A 66 1.357 -16.676 -3.784 1.00 0.00 C ATOM 1005 C GLU A 66 2.510 -15.949 -3.088 1.00 0.00 C ATOM 1006 O GLU A 66 2.837 -16.242 -1.956 1.00 0.00 O ATOM 1007 CB GLU A 66 0.789 -17.782 -2.894 1.00 0.00 C ATOM 1008 CG GLU A 66 1.878 -18.806 -2.573 1.00 0.00 C ATOM 1009 CD GLU A 66 1.431 -19.668 -1.391 1.00 0.00 C ATOM 1010 OE1 GLU A 66 1.593 -19.226 -0.264 1.00 0.00 O ATOM 1011 OE2 GLU A 66 0.934 -20.755 -1.632 1.00 0.00 O ATOM 0 H GLU A 66 1.123 -17.357 -5.791 1.00 0.00 H new ATOM 0 HA GLU A 66 0.613 -15.910 -4.001 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.398 -17.353 -1.971 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -0.045 -18.272 -3.396 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.070 -19.434 -3.443 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.812 -18.297 -2.334 1.00 0.00 H new ATOM 1018 N PRO A 67 3.075 -15.008 -3.792 1.00 0.00 N ATOM 1019 CA PRO A 67 4.193 -14.206 -3.238 1.00 0.00 C ATOM 1020 C PRO A 67 3.666 -13.139 -2.266 1.00 0.00 C ATOM 1021 O PRO A 67 4.023 -11.981 -2.351 1.00 0.00 O ATOM 1022 CB PRO A 67 4.802 -13.550 -4.474 1.00 0.00 C ATOM 1023 CG PRO A 67 3.693 -13.495 -5.480 1.00 0.00 C ATOM 1024 CD PRO A 67 2.736 -14.616 -5.164 1.00 0.00 C ATOM 0 HA PRO A 67 4.908 -14.804 -2.673 1.00 0.00 H new ATOM 0 HB2 PRO A 67 5.176 -12.552 -4.246 1.00 0.00 H new ATOM 0 HB3 PRO A 67 5.646 -14.128 -4.850 1.00 0.00 H new ATOM 0 HG2 PRO A 67 3.183 -12.532 -5.436 1.00 0.00 H new ATOM 0 HG3 PRO A 67 4.087 -13.601 -6.491 1.00 0.00 H new ATOM 0 HD2 PRO A 67 1.700 -14.287 -5.239 1.00 0.00 H new ATOM 0 HD3 PRO A 67 2.857 -15.449 -5.857 1.00 0.00 H new ATOM 1032 N SER A 68 2.818 -13.517 -1.345 1.00 0.00 N ATOM 1033 CA SER A 68 2.271 -12.517 -0.376 1.00 0.00 C ATOM 1034 C SER A 68 2.582 -12.938 1.066 1.00 0.00 C ATOM 1035 O SER A 68 2.398 -12.179 1.998 1.00 0.00 O ATOM 1036 CB SER A 68 0.763 -12.525 -0.617 1.00 0.00 C ATOM 1037 OG SER A 68 0.107 -11.946 0.502 1.00 0.00 O ATOM 0 H SER A 68 2.481 -14.472 -1.221 1.00 0.00 H new ATOM 0 HA SER A 68 2.708 -11.528 -0.516 1.00 0.00 H new ATOM 0 HB2 SER A 68 0.525 -11.967 -1.522 1.00 0.00 H new ATOM 0 HB3 SER A 68 0.413 -13.546 -0.771 1.00 0.00 H new ATOM 0 HG SER A 68 -0.861 -11.948 0.351 1.00 0.00 H new ATOM 1043 N TYR A 69 3.059 -14.144 1.245 1.00 0.00 N ATOM 1044 CA TYR A 69 3.392 -14.666 2.605 1.00 0.00 C ATOM 1045 C TYR A 69 2.214 -14.477 3.566 1.00 0.00 C ATOM 1046 O TYR A 69 1.407 -13.567 3.436 1.00 0.00 O ATOM 1047 CB TYR A 69 4.650 -13.923 3.119 1.00 0.00 C ATOM 1048 CG TYR A 69 4.986 -12.714 2.273 1.00 0.00 C ATOM 1049 CD1 TYR A 69 5.560 -12.874 1.006 1.00 0.00 C ATOM 1050 CD2 TYR A 69 4.720 -11.433 2.761 1.00 0.00 C ATOM 1051 CE1 TYR A 69 5.870 -11.750 0.233 1.00 0.00 C ATOM 1052 CE2 TYR A 69 5.026 -10.310 1.989 1.00 0.00 C ATOM 1053 CZ TYR A 69 5.602 -10.467 0.723 1.00 0.00 C ATOM 1054 OH TYR A 69 5.913 -9.358 -0.035 1.00 0.00 O ATOM 0 H TYR A 69 3.235 -14.803 0.487 1.00 0.00 H new ATOM 0 HA TYR A 69 3.594 -15.736 2.550 1.00 0.00 H new ATOM 0 HB2 TYR A 69 4.488 -13.609 4.150 1.00 0.00 H new ATOM 0 HB3 TYR A 69 5.498 -14.608 3.124 1.00 0.00 H new ATOM 0 HD1 TYR A 69 5.763 -13.864 0.626 1.00 0.00 H new ATOM 0 HD2 TYR A 69 4.276 -11.310 3.738 1.00 0.00 H new ATOM 0 HE1 TYR A 69 6.317 -11.873 -0.743 1.00 0.00 H new ATOM 0 HE2 TYR A 69 4.818 -9.321 2.369 1.00 0.00 H new ATOM 0 HH TYR A 69 6.887 -9.255 -0.081 1.00 0.00 H new ATOM 1064 N PRO A 70 2.157 -15.357 4.517 1.00 0.00 N ATOM 1065 CA PRO A 70 1.079 -15.303 5.520 1.00 0.00 C ATOM 1066 C PRO A 70 1.213 -14.030 6.347 1.00 0.00 C ATOM 1067 O PRO A 70 0.328 -13.684 7.101 1.00 0.00 O ATOM 1068 CB PRO A 70 1.312 -16.556 6.368 1.00 0.00 C ATOM 1069 CG PRO A 70 2.757 -16.876 6.170 1.00 0.00 C ATOM 1070 CD PRO A 70 3.079 -16.470 4.758 1.00 0.00 C ATOM 0 HA PRO A 70 0.077 -15.283 5.091 1.00 0.00 H new ATOM 0 HB2 PRO A 70 1.086 -16.372 7.418 1.00 0.00 H new ATOM 0 HB3 PRO A 70 0.675 -17.379 6.044 1.00 0.00 H new ATOM 0 HG2 PRO A 70 3.378 -16.335 6.883 1.00 0.00 H new ATOM 0 HG3 PRO A 70 2.947 -17.938 6.324 1.00 0.00 H new ATOM 0 HD2 PRO A 70 4.119 -16.162 4.654 1.00 0.00 H new ATOM 0 HD3 PRO A 70 2.917 -17.288 4.056 1.00 0.00 H new ATOM 1078 N VAL A 71 2.298 -13.308 6.199 1.00 0.00 N ATOM 1079 CA VAL A 71 2.429 -12.054 6.991 1.00 0.00 C ATOM 1080 C VAL A 71 1.543 -10.979 6.360 1.00 0.00 C ATOM 1081 O VAL A 71 0.812 -10.298 7.051 1.00 0.00 O ATOM 1082 CB VAL A 71 3.926 -11.673 7.052 1.00 0.00 C ATOM 1083 CG1 VAL A 71 4.796 -12.916 6.856 1.00 0.00 C ATOM 1084 CG2 VAL A 71 4.293 -10.620 5.997 1.00 0.00 C ATOM 0 H VAL A 71 3.078 -13.528 5.580 1.00 0.00 H new ATOM 0 HA VAL A 71 2.087 -12.176 8.019 1.00 0.00 H new ATOM 0 HB VAL A 71 4.111 -11.243 8.037 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.848 -12.635 6.901 1.00 0.00 H new ATOM 0 HG12 VAL A 71 4.580 -13.639 7.642 1.00 0.00 H new ATOM 0 HG13 VAL A 71 4.581 -13.361 5.885 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.354 -10.381 6.075 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.082 -11.012 5.002 1.00 0.00 H new ATOM 0 HG23 VAL A 71 3.705 -9.718 6.164 1.00 0.00 H new ATOM 1094 N ALA A 72 1.528 -10.858 5.053 1.00 0.00 N ATOM 1095 CA ALA A 72 0.606 -9.877 4.443 1.00 0.00 C ATOM 1096 C ALA A 72 -0.761 -10.200 4.995 1.00 0.00 C ATOM 1097 O ALA A 72 -1.484 -9.354 5.482 1.00 0.00 O ATOM 1098 CB ALA A 72 0.634 -10.169 2.953 1.00 0.00 C ATOM 0 H ALA A 72 2.106 -11.389 4.402 1.00 0.00 H new ATOM 0 HA ALA A 72 0.862 -8.836 4.640 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.029 -9.477 2.434 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.650 -10.048 2.578 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.301 -11.192 2.776 1.00 0.00 H new ATOM 1104 N ASP A 73 -1.087 -11.461 4.954 1.00 0.00 N ATOM 1105 CA ASP A 73 -2.381 -11.905 5.513 1.00 0.00 C ATOM 1106 C ASP A 73 -2.434 -11.513 6.986 1.00 0.00 C ATOM 1107 O ASP A 73 -3.331 -10.824 7.429 1.00 0.00 O ATOM 1108 CB ASP A 73 -2.369 -13.417 5.370 1.00 0.00 C ATOM 1109 CG ASP A 73 -3.019 -13.824 4.047 1.00 0.00 C ATOM 1110 OD1 ASP A 73 -2.850 -13.101 3.079 1.00 0.00 O ATOM 1111 OD2 ASP A 73 -3.675 -14.852 4.024 1.00 0.00 O ATOM 0 H ASP A 73 -0.508 -12.200 4.556 1.00 0.00 H new ATOM 0 HA ASP A 73 -3.242 -11.461 5.013 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -1.344 -13.786 5.409 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -2.904 -13.873 6.203 1.00 0.00 H new ATOM 1116 N ILE A 74 -1.451 -11.925 7.744 1.00 0.00 N ATOM 1117 CA ILE A 74 -1.422 -11.544 9.183 1.00 0.00 C ATOM 1118 C ILE A 74 -1.699 -10.053 9.267 1.00 0.00 C ATOM 1119 O ILE A 74 -2.531 -9.590 10.020 1.00 0.00 O ATOM 1120 CB ILE A 74 0.013 -11.822 9.657 1.00 0.00 C ATOM 1121 CG1 ILE A 74 0.268 -13.323 9.913 1.00 0.00 C ATOM 1122 CG2 ILE A 74 0.273 -11.054 10.955 1.00 0.00 C ATOM 1123 CD1 ILE A 74 -1.040 -14.079 10.152 1.00 0.00 C ATOM 0 H ILE A 74 -0.673 -12.505 7.429 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.152 -12.087 9.784 1.00 0.00 H new ATOM 0 HB ILE A 74 0.686 -11.497 8.864 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.789 -13.756 9.059 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.921 -13.440 10.778 1.00 0.00 H new ATOM 0 HG21 ILE A 74 1.290 -11.248 11.295 1.00 0.00 H new ATOM 0 HG22 ILE A 74 0.148 -9.986 10.777 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.433 -11.380 11.718 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -0.824 -15.133 10.329 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -1.548 -13.662 11.022 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -1.682 -13.982 9.276 1.00 0.00 H new ATOM 1135 N LEU A 75 -1.002 -9.302 8.469 1.00 0.00 N ATOM 1136 CA LEU A 75 -1.202 -7.838 8.453 1.00 0.00 C ATOM 1137 C LEU A 75 -2.689 -7.542 8.239 1.00 0.00 C ATOM 1138 O LEU A 75 -3.207 -6.559 8.712 1.00 0.00 O ATOM 1139 CB LEU A 75 -0.335 -7.363 7.280 1.00 0.00 C ATOM 1140 CG LEU A 75 0.012 -5.884 7.465 1.00 0.00 C ATOM 1141 CD1 LEU A 75 1.397 -5.770 8.097 1.00 0.00 C ATOM 1142 CD2 LEU A 75 0.021 -5.174 6.110 1.00 0.00 C ATOM 0 H LEU A 75 -0.294 -9.647 7.820 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.922 -7.333 9.378 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.577 -7.957 7.225 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.867 -7.507 6.340 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.734 -5.419 8.109 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.650 -4.718 8.231 1.00 0.00 H new ATOM 0 HD12 LEU A 75 1.397 -6.270 9.066 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.134 -6.240 7.446 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.269 -4.122 6.252 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.764 -5.638 5.461 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.964 -5.256 5.650 1.00 0.00 H new ATOM 1154 N ALA A 76 -3.383 -8.403 7.542 1.00 0.00 N ATOM 1155 CA ALA A 76 -4.839 -8.182 7.308 1.00 0.00 C ATOM 1156 C ALA A 76 -5.642 -8.385 8.600 1.00 0.00 C ATOM 1157 O ALA A 76 -6.640 -7.728 8.825 1.00 0.00 O ATOM 1158 CB ALA A 76 -5.233 -9.225 6.262 1.00 0.00 C ATOM 0 H ALA A 76 -3.002 -9.252 7.124 1.00 0.00 H new ATOM 0 HA ALA A 76 -5.046 -7.165 6.976 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -6.294 -9.129 6.034 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -4.651 -9.068 5.354 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -5.035 -10.224 6.651 1.00 0.00 H new ATOM 1164 N GLU A 77 -5.226 -9.286 9.452 1.00 0.00 N ATOM 1165 CA GLU A 77 -5.985 -9.512 10.714 1.00 0.00 C ATOM 1166 C GLU A 77 -5.674 -8.403 11.721 1.00 0.00 C ATOM 1167 O GLU A 77 -6.401 -8.183 12.669 1.00 0.00 O ATOM 1168 CB GLU A 77 -5.532 -10.886 11.229 1.00 0.00 C ATOM 1169 CG GLU A 77 -4.163 -10.793 11.919 1.00 0.00 C ATOM 1170 CD GLU A 77 -4.129 -11.763 13.101 1.00 0.00 C ATOM 1171 OE1 GLU A 77 -4.881 -12.724 13.076 1.00 0.00 O ATOM 1172 OE2 GLU A 77 -3.348 -11.532 14.009 1.00 0.00 O ATOM 0 H GLU A 77 -4.399 -9.870 9.328 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.063 -9.493 10.557 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.270 -11.277 11.929 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -5.477 -11.589 10.398 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.369 -11.034 11.212 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -3.984 -9.774 12.264 1.00 0.00 H new ATOM 1179 N ARG A 78 -4.598 -7.701 11.508 1.00 0.00 N ATOM 1180 CA ARG A 78 -4.219 -6.598 12.422 1.00 0.00 C ATOM 1181 C ARG A 78 -3.546 -5.491 11.615 1.00 0.00 C ATOM 1182 O ARG A 78 -2.546 -4.929 12.017 1.00 0.00 O ATOM 1183 CB ARG A 78 -3.235 -7.220 13.412 1.00 0.00 C ATOM 1184 CG ARG A 78 -2.031 -7.775 12.649 1.00 0.00 C ATOM 1185 CD ARG A 78 -0.761 -7.568 13.477 1.00 0.00 C ATOM 1186 NE ARG A 78 0.269 -7.128 12.494 1.00 0.00 N ATOM 1187 CZ ARG A 78 1.182 -7.966 12.083 1.00 0.00 C ATOM 1188 NH1 ARG A 78 1.879 -8.650 12.949 1.00 0.00 N ATOM 1189 NH2 ARG A 78 1.398 -8.121 10.805 1.00 0.00 N ATOM 0 H ARG A 78 -3.958 -7.849 10.728 1.00 0.00 H new ATOM 0 HA ARG A 78 -5.074 -6.158 12.935 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -2.908 -6.473 14.135 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -3.722 -8.017 13.974 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.175 -8.836 12.444 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -1.935 -7.274 11.686 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -0.913 -6.818 14.253 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -0.461 -8.488 13.978 1.00 0.00 H new ATOM 0 HE ARG A 78 0.261 -6.171 12.142 1.00 0.00 H new ATOM 0 HH11 ARG A 78 1.711 -8.530 13.948 1.00 0.00 H new ATOM 0 HH12 ARG A 78 2.592 -9.304 12.627 1.00 0.00 H new ATOM 0 HH21 ARG A 78 0.854 -7.587 10.127 1.00 0.00 H new ATOM 0 HH22 ARG A 78 2.111 -8.776 10.484 1.00 0.00 H new ATOM 1203 N ASN A 79 -4.079 -5.193 10.463 1.00 0.00 N ATOM 1204 CA ASN A 79 -3.468 -4.148 9.609 1.00 0.00 C ATOM 1205 C ASN A 79 -3.615 -2.770 10.235 1.00 0.00 C ATOM 1206 O ASN A 79 -4.664 -2.376 10.706 1.00 0.00 O ATOM 1207 CB ASN A 79 -4.189 -4.227 8.269 1.00 0.00 C ATOM 1208 CG ASN A 79 -3.151 -4.556 7.193 1.00 0.00 C ATOM 1209 OD1 ASN A 79 -2.033 -4.082 7.249 1.00 0.00 O ATOM 1210 ND2 ASN A 79 -3.475 -5.340 6.202 1.00 0.00 N ATOM 0 H ASN A 79 -4.915 -5.633 10.078 1.00 0.00 H new ATOM 0 HA ASN A 79 -2.397 -4.310 9.490 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -4.964 -4.993 8.298 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -4.683 -3.281 8.046 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -2.791 -5.554 5.476 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -4.412 -5.739 6.153 1.00 0.00 H new ATOM 1217 N VAL A 80 -2.546 -2.047 10.224 1.00 0.00 N ATOM 1218 CA VAL A 80 -2.528 -0.671 10.790 1.00 0.00 C ATOM 1219 C VAL A 80 -3.100 0.287 9.728 1.00 0.00 C ATOM 1220 O VAL A 80 -3.596 -0.189 8.734 1.00 0.00 O ATOM 1221 CB VAL A 80 -1.034 -0.477 11.068 1.00 0.00 C ATOM 1222 CG1 VAL A 80 -0.363 0.323 9.946 1.00 0.00 C ATOM 1223 CG2 VAL A 80 -0.856 0.209 12.420 1.00 0.00 C ATOM 0 H VAL A 80 -1.654 -2.355 9.837 1.00 0.00 H new ATOM 0 HA VAL A 80 -3.124 -0.493 11.685 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.548 -1.452 11.100 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.697 0.445 10.170 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.475 -0.210 9.002 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.833 1.303 9.867 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.206 0.348 12.620 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.352 1.179 12.404 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.295 -0.410 13.203 1.00 0.00 H new ATOM 1233 N PRO A 81 -3.024 1.592 9.917 1.00 0.00 N ATOM 1234 CA PRO A 81 -3.570 2.493 8.874 1.00 0.00 C ATOM 1235 C PRO A 81 -2.787 2.233 7.592 1.00 0.00 C ATOM 1236 O PRO A 81 -1.576 2.205 7.600 1.00 0.00 O ATOM 1237 CB PRO A 81 -3.368 3.895 9.450 1.00 0.00 C ATOM 1238 CG PRO A 81 -2.275 3.735 10.452 1.00 0.00 C ATOM 1239 CD PRO A 81 -2.435 2.349 11.030 1.00 0.00 C ATOM 0 HA PRO A 81 -4.622 2.349 8.626 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -3.092 4.607 8.672 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -4.281 4.268 9.915 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -1.297 3.851 9.984 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -2.347 4.493 11.232 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -1.479 1.929 11.342 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -3.084 2.349 11.906 1.00 0.00 H new ATOM 1247 N PHE A 82 -3.472 1.966 6.511 1.00 0.00 N ATOM 1248 CA PHE A 82 -2.767 1.611 5.248 1.00 0.00 C ATOM 1249 C PHE A 82 -3.772 1.275 4.142 1.00 0.00 C ATOM 1250 O PHE A 82 -4.884 1.760 4.108 1.00 0.00 O ATOM 1251 CB PHE A 82 -1.982 0.341 5.605 1.00 0.00 C ATOM 1252 CG PHE A 82 -2.936 -0.833 5.609 1.00 0.00 C ATOM 1253 CD1 PHE A 82 -4.140 -0.751 6.318 1.00 0.00 C ATOM 1254 CD2 PHE A 82 -2.628 -1.990 4.894 1.00 0.00 C ATOM 1255 CE1 PHE A 82 -5.036 -1.814 6.311 1.00 0.00 C ATOM 1256 CE2 PHE A 82 -3.526 -3.058 4.890 1.00 0.00 C ATOM 1257 CZ PHE A 82 -4.728 -2.971 5.598 1.00 0.00 C ATOM 0 H PHE A 82 -4.490 1.979 6.450 1.00 0.00 H new ATOM 0 HA PHE A 82 -2.143 2.428 4.886 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.182 0.176 4.883 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -1.512 0.449 6.582 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -4.375 0.144 6.874 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -1.700 -2.059 4.346 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -5.966 -1.743 6.855 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -3.291 -3.956 4.337 1.00 0.00 H new ATOM 0 HZ PHE A 82 -5.419 -3.801 5.592 1.00 0.00 H new ATOM 1267 N ILE A 83 -3.360 0.409 3.259 1.00 0.00 N ATOM 1268 CA ILE A 83 -4.221 -0.041 2.136 1.00 0.00 C ATOM 1269 C ILE A 83 -3.648 -1.359 1.617 1.00 0.00 C ATOM 1270 O ILE A 83 -2.482 -1.645 1.831 1.00 0.00 O ATOM 1271 CB ILE A 83 -4.100 1.053 1.086 1.00 0.00 C ATOM 1272 CG1 ILE A 83 -5.134 2.150 1.346 1.00 0.00 C ATOM 1273 CG2 ILE A 83 -4.327 0.476 -0.314 1.00 0.00 C ATOM 1274 CD1 ILE A 83 -6.527 1.528 1.454 1.00 0.00 C ATOM 0 H ILE A 83 -2.433 -0.017 3.272 1.00 0.00 H new ATOM 0 HA ILE A 83 -5.263 -0.202 2.412 1.00 0.00 H new ATOM 0 HB ILE A 83 -3.096 1.474 1.146 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -4.890 2.683 2.265 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -5.113 2.882 0.539 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -4.237 1.271 -1.054 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -3.582 -0.293 -0.516 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -5.324 0.039 -0.370 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -7.262 2.311 1.639 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -6.770 1.015 0.523 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -6.544 0.813 2.277 1.00 0.00 H new ATOM 1286 N PHE A 84 -4.444 -2.156 0.949 1.00 0.00 N ATOM 1287 CA PHE A 84 -3.929 -3.457 0.430 1.00 0.00 C ATOM 1288 C PHE A 84 -4.755 -3.933 -0.775 1.00 0.00 C ATOM 1289 O PHE A 84 -5.925 -3.606 -0.942 1.00 0.00 O ATOM 1290 CB PHE A 84 -4.095 -4.424 1.603 1.00 0.00 C ATOM 1291 CG PHE A 84 -3.029 -5.504 1.573 1.00 0.00 C ATOM 1292 CD1 PHE A 84 -3.038 -6.480 0.564 1.00 0.00 C ATOM 1293 CD2 PHE A 84 -2.048 -5.552 2.578 1.00 0.00 C ATOM 1294 CE1 PHE A 84 -2.070 -7.489 0.562 1.00 0.00 C ATOM 1295 CE2 PHE A 84 -1.088 -6.568 2.571 1.00 0.00 C ATOM 1296 CZ PHE A 84 -1.101 -7.533 1.562 1.00 0.00 C ATOM 0 H PHE A 84 -5.424 -1.962 0.742 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.897 -3.384 0.086 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -4.035 -3.875 2.543 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -5.083 -4.882 1.564 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -3.791 -6.452 -0.209 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -2.036 -4.803 3.356 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -2.074 -8.237 -0.217 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -0.337 -6.607 3.346 1.00 0.00 H new ATOM 0 HZ PHE A 84 -0.357 -8.316 1.557 1.00 0.00 H new ATOM 1306 N ALA A 85 -4.160 -4.724 -1.611 1.00 0.00 N ATOM 1307 CA ALA A 85 -4.903 -5.241 -2.784 1.00 0.00 C ATOM 1308 C ALA A 85 -4.122 -6.392 -3.412 1.00 0.00 C ATOM 1309 O ALA A 85 -2.932 -6.297 -3.639 1.00 0.00 O ATOM 1310 CB ALA A 85 -5.027 -4.061 -3.750 1.00 0.00 C ATOM 0 H ALA A 85 -3.192 -5.036 -1.534 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.887 -5.627 -2.519 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -5.568 -4.376 -4.642 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.569 -3.249 -3.265 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.032 -3.716 -4.032 1.00 0.00 H new ATOM 1316 N THR A 86 -4.773 -7.488 -3.677 1.00 0.00 N ATOM 1317 CA THR A 86 -4.050 -8.645 -4.267 1.00 0.00 C ATOM 1318 C THR A 86 -4.986 -9.445 -5.174 1.00 0.00 C ATOM 1319 O THR A 86 -6.121 -9.074 -5.384 1.00 0.00 O ATOM 1320 CB THR A 86 -3.597 -9.503 -3.075 1.00 0.00 C ATOM 1321 OG1 THR A 86 -4.432 -10.647 -2.987 1.00 0.00 O ATOM 1322 CG2 THR A 86 -3.699 -8.715 -1.766 1.00 0.00 C ATOM 0 H THR A 86 -5.769 -7.632 -3.512 1.00 0.00 H new ATOM 0 HA THR A 86 -3.204 -8.326 -4.877 1.00 0.00 H new ATOM 0 HB THR A 86 -2.558 -9.795 -3.230 1.00 0.00 H new ATOM 0 HG1 THR A 86 -4.206 -11.156 -2.180 1.00 0.00 H new ATOM 0 HG21 THR A 86 -3.373 -9.343 -0.937 1.00 0.00 H new ATOM 0 HG22 THR A 86 -3.064 -7.831 -1.823 1.00 0.00 H new ATOM 0 HG23 THR A 86 -4.733 -8.409 -1.605 1.00 0.00 H new ATOM 1330 N GLY A 87 -4.513 -10.537 -5.712 1.00 0.00 N ATOM 1331 CA GLY A 87 -5.364 -11.364 -6.612 1.00 0.00 C ATOM 1332 C GLY A 87 -6.810 -11.422 -6.101 1.00 0.00 C ATOM 1333 O GLY A 87 -7.744 -11.322 -6.872 1.00 0.00 O ATOM 0 H GLY A 87 -3.568 -10.893 -5.565 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -5.347 -10.947 -7.619 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -4.957 -12.373 -6.678 1.00 0.00 H new ATOM 1337 N TYR A 88 -7.018 -11.605 -4.822 1.00 0.00 N ATOM 1338 CA TYR A 88 -8.425 -11.691 -4.322 1.00 0.00 C ATOM 1339 C TYR A 88 -8.988 -10.318 -3.927 1.00 0.00 C ATOM 1340 O TYR A 88 -10.091 -9.974 -4.300 1.00 0.00 O ATOM 1341 CB TYR A 88 -8.396 -12.641 -3.116 1.00 0.00 C ATOM 1342 CG TYR A 88 -7.379 -12.189 -2.093 1.00 0.00 C ATOM 1343 CD1 TYR A 88 -7.736 -11.263 -1.103 1.00 0.00 C ATOM 1344 CD2 TYR A 88 -6.082 -12.714 -2.122 1.00 0.00 C ATOM 1345 CE1 TYR A 88 -6.792 -10.864 -0.149 1.00 0.00 C ATOM 1346 CE2 TYR A 88 -5.143 -12.314 -1.166 1.00 0.00 C ATOM 1347 CZ TYR A 88 -5.498 -11.390 -0.181 1.00 0.00 C ATOM 1348 OH TYR A 88 -4.573 -10.992 0.760 1.00 0.00 O ATOM 0 H TYR A 88 -6.290 -11.697 -4.113 1.00 0.00 H new ATOM 0 HA TYR A 88 -9.083 -12.061 -5.108 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -9.384 -12.682 -2.658 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -8.157 -13.651 -3.450 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -8.737 -10.858 -1.076 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -5.806 -13.429 -2.883 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -7.065 -10.149 0.613 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -4.143 -12.720 -1.190 1.00 0.00 H new ATOM 0 HH TYR A 88 -3.723 -11.452 0.598 1.00 0.00 H new ATOM 1358 N GLY A 89 -8.265 -9.530 -3.181 1.00 0.00 N ATOM 1359 CA GLY A 89 -8.809 -8.198 -2.785 1.00 0.00 C ATOM 1360 C GLY A 89 -8.970 -8.139 -1.266 1.00 0.00 C ATOM 1361 O GLY A 89 -10.068 -8.096 -0.748 1.00 0.00 O ATOM 0 H GLY A 89 -7.331 -9.746 -2.831 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -8.139 -7.406 -3.121 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -9.771 -8.028 -3.269 1.00 0.00 H new ATOM 1365 N SER A 90 -7.882 -8.135 -0.549 1.00 0.00 N ATOM 1366 CA SER A 90 -7.965 -8.077 0.937 1.00 0.00 C ATOM 1367 C SER A 90 -9.074 -9.001 1.450 1.00 0.00 C ATOM 1368 O SER A 90 -9.601 -9.822 0.724 1.00 0.00 O ATOM 1369 CB SER A 90 -8.285 -6.620 1.262 1.00 0.00 C ATOM 1370 OG SER A 90 -7.103 -5.968 1.705 1.00 0.00 O ATOM 0 H SER A 90 -6.936 -8.169 -0.929 1.00 0.00 H new ATOM 0 HA SER A 90 -7.040 -8.406 1.411 1.00 0.00 H new ATOM 0 HB2 SER A 90 -8.683 -6.117 0.380 1.00 0.00 H new ATOM 0 HB3 SER A 90 -9.054 -6.568 2.033 1.00 0.00 H new ATOM 0 HG SER A 90 -7.177 -5.771 2.662 1.00 0.00 H new ATOM 1376 N LYS A 91 -9.431 -8.867 2.698 1.00 0.00 N ATOM 1377 CA LYS A 91 -10.502 -9.720 3.274 1.00 0.00 C ATOM 1378 C LYS A 91 -11.331 -8.902 4.264 1.00 0.00 C ATOM 1379 O LYS A 91 -11.996 -9.439 5.127 1.00 0.00 O ATOM 1380 CB LYS A 91 -9.773 -10.854 3.996 1.00 0.00 C ATOM 1381 CG LYS A 91 -9.002 -10.283 5.189 1.00 0.00 C ATOM 1382 CD LYS A 91 -9.651 -10.753 6.492 1.00 0.00 C ATOM 1383 CE LYS A 91 -9.518 -9.657 7.551 1.00 0.00 C ATOM 1384 NZ LYS A 91 -10.916 -9.348 7.959 1.00 0.00 N ATOM 0 H LYS A 91 -9.021 -8.196 3.347 1.00 0.00 H new ATOM 0 HA LYS A 91 -11.183 -10.102 2.513 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -10.488 -11.603 4.336 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.088 -11.355 3.312 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -7.962 -10.607 5.151 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -8.998 -9.194 5.145 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -10.703 -10.986 6.324 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -9.173 -11.669 6.839 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -8.925 -9.997 8.400 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -9.020 -8.775 7.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -10.937 -8.441 8.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -11.519 -9.285 7.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -11.271 -10.102 8.582 1.00 0.00 H new ATOM 1398 N GLY A 92 -11.289 -7.603 4.146 1.00 0.00 N ATOM 1399 CA GLY A 92 -12.065 -6.740 5.080 1.00 0.00 C ATOM 1400 C GLY A 92 -11.104 -6.074 6.064 1.00 0.00 C ATOM 1401 O GLY A 92 -11.474 -5.719 7.166 1.00 0.00 O ATOM 0 H GLY A 92 -10.749 -7.101 3.441 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -12.616 -5.983 4.522 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -12.801 -7.337 5.619 1.00 0.00 H new ATOM 1405 N LEU A 93 -9.870 -5.905 5.668 1.00 0.00 N ATOM 1406 CA LEU A 93 -8.867 -5.262 6.567 1.00 0.00 C ATOM 1407 C LEU A 93 -9.505 -4.115 7.356 1.00 0.00 C ATOM 1408 O LEU A 93 -10.417 -3.474 6.896 1.00 0.00 O ATOM 1409 CB LEU A 93 -7.774 -4.738 5.629 1.00 0.00 C ATOM 1410 CG LEU A 93 -8.176 -3.378 5.044 1.00 0.00 C ATOM 1411 CD1 LEU A 93 -7.084 -2.888 4.094 1.00 0.00 C ATOM 1412 CD2 LEU A 93 -9.486 -3.514 4.268 1.00 0.00 C ATOM 0 H LEU A 93 -9.512 -6.186 4.755 1.00 0.00 H new ATOM 0 HA LEU A 93 -8.470 -5.959 7.305 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -6.834 -4.643 6.173 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -7.605 -5.452 4.823 1.00 0.00 H new ATOM 0 HG LEU A 93 -8.306 -2.665 5.858 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -7.370 -1.922 3.678 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -6.146 -2.785 4.640 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -6.956 -3.607 3.285 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -9.766 -2.545 3.855 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -9.356 -4.230 3.457 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -10.271 -3.864 4.938 1.00 0.00 H new ATOM 1424 N ASP A 94 -9.035 -3.853 8.540 1.00 0.00 N ATOM 1425 CA ASP A 94 -9.627 -2.737 9.340 1.00 0.00 C ATOM 1426 C ASP A 94 -8.613 -1.601 9.497 1.00 0.00 C ATOM 1427 O ASP A 94 -7.438 -1.838 9.700 1.00 0.00 O ATOM 1428 CB ASP A 94 -9.975 -3.353 10.695 1.00 0.00 C ATOM 1429 CG ASP A 94 -8.698 -3.561 11.508 1.00 0.00 C ATOM 1430 OD1 ASP A 94 -8.273 -2.619 12.157 1.00 0.00 O ATOM 1431 OD2 ASP A 94 -8.166 -4.658 11.468 1.00 0.00 O ATOM 0 H ASP A 94 -8.271 -4.357 8.991 1.00 0.00 H new ATOM 0 HA ASP A 94 -10.506 -2.306 8.860 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -10.661 -2.701 11.237 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -10.486 -4.305 10.552 1.00 0.00 H new ATOM 1436 N THR A 95 -9.052 -0.371 9.418 1.00 0.00 N ATOM 1437 CA THR A 95 -8.098 0.766 9.576 1.00 0.00 C ATOM 1438 C THR A 95 -8.810 2.112 9.343 1.00 0.00 C ATOM 1439 O THR A 95 -10.008 2.168 9.152 1.00 0.00 O ATOM 1440 CB THR A 95 -6.983 0.489 8.541 1.00 0.00 C ATOM 1441 OG1 THR A 95 -5.726 0.587 9.182 1.00 0.00 O ATOM 1442 CG2 THR A 95 -7.026 1.470 7.371 1.00 0.00 C ATOM 0 H THR A 95 -10.023 -0.106 9.252 1.00 0.00 H new ATOM 0 HA THR A 95 -7.685 0.839 10.582 1.00 0.00 H new ATOM 0 HB THR A 95 -7.140 -0.512 8.140 1.00 0.00 H new ATOM 0 HG1 THR A 95 -5.044 0.146 8.634 1.00 0.00 H new ATOM 0 HG21 THR A 95 -6.224 1.236 6.670 1.00 0.00 H new ATOM 0 HG22 THR A 95 -7.987 1.389 6.863 1.00 0.00 H new ATOM 0 HG23 THR A 95 -6.897 2.486 7.743 1.00 0.00 H new ATOM 1450 N ARG A 96 -8.074 3.193 9.373 1.00 0.00 N ATOM 1451 CA ARG A 96 -8.684 4.545 9.172 1.00 0.00 C ATOM 1452 C ARG A 96 -9.097 4.784 7.711 1.00 0.00 C ATOM 1453 O ARG A 96 -9.414 5.894 7.332 1.00 0.00 O ATOM 1454 CB ARG A 96 -7.577 5.524 9.564 1.00 0.00 C ATOM 1455 CG ARG A 96 -7.265 5.360 11.051 1.00 0.00 C ATOM 1456 CD ARG A 96 -8.111 6.345 11.857 1.00 0.00 C ATOM 1457 NE ARG A 96 -7.410 7.651 11.728 1.00 0.00 N ATOM 1458 CZ ARG A 96 -7.654 8.608 12.580 1.00 0.00 C ATOM 1459 NH1 ARG A 96 -7.278 8.484 13.824 1.00 0.00 N ATOM 1460 NH2 ARG A 96 -8.280 9.685 12.189 1.00 0.00 N ATOM 0 H ARG A 96 -7.066 3.198 9.530 1.00 0.00 H new ATOM 0 HA ARG A 96 -9.593 4.658 9.762 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -6.683 5.337 8.970 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -7.890 6.547 9.356 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -7.475 4.338 11.368 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -6.205 5.539 11.234 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -9.127 6.403 11.468 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -8.186 6.039 12.900 1.00 0.00 H new ATOM 0 HE ARG A 96 -6.739 7.798 10.974 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -6.794 7.639 14.129 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -7.468 9.232 14.491 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -8.578 9.778 11.218 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -8.471 10.434 12.855 1.00 0.00 H new ATOM 1474 N TYR A 97 -9.094 3.774 6.885 1.00 0.00 N ATOM 1475 CA TYR A 97 -9.487 3.990 5.461 1.00 0.00 C ATOM 1476 C TYR A 97 -10.954 3.610 5.251 1.00 0.00 C ATOM 1477 O TYR A 97 -11.444 3.575 4.139 1.00 0.00 O ATOM 1478 CB TYR A 97 -8.555 3.093 4.648 1.00 0.00 C ATOM 1479 CG TYR A 97 -7.221 3.788 4.503 1.00 0.00 C ATOM 1480 CD1 TYR A 97 -6.500 4.146 5.647 1.00 0.00 C ATOM 1481 CD2 TYR A 97 -6.708 4.080 3.233 1.00 0.00 C ATOM 1482 CE1 TYR A 97 -5.266 4.795 5.526 1.00 0.00 C ATOM 1483 CE2 TYR A 97 -5.472 4.731 3.112 1.00 0.00 C ATOM 1484 CZ TYR A 97 -4.751 5.087 4.257 1.00 0.00 C ATOM 1485 OH TYR A 97 -3.533 5.728 4.136 1.00 0.00 O ATOM 0 H TYR A 97 -8.839 2.817 7.130 1.00 0.00 H new ATOM 0 HA TYR A 97 -9.396 5.033 5.158 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -8.428 2.131 5.144 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -8.985 2.891 3.667 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -6.897 3.921 6.626 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -7.263 3.804 2.349 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -4.711 5.070 6.411 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -5.076 4.958 2.133 1.00 0.00 H new ATOM 0 HH TYR A 97 -2.908 5.371 4.801 1.00 0.00 H new ATOM 1495 N SER A 98 -11.659 3.338 6.316 1.00 0.00 N ATOM 1496 CA SER A 98 -13.097 2.975 6.198 1.00 0.00 C ATOM 1497 C SER A 98 -13.269 1.724 5.337 1.00 0.00 C ATOM 1498 O SER A 98 -14.365 1.387 4.940 1.00 0.00 O ATOM 1499 CB SER A 98 -13.765 4.188 5.548 1.00 0.00 C ATOM 1500 OG SER A 98 -13.627 5.312 6.409 1.00 0.00 O ATOM 0 H SER A 98 -11.296 3.352 7.269 1.00 0.00 H new ATOM 0 HA SER A 98 -13.541 2.742 7.166 1.00 0.00 H new ATOM 0 HB2 SER A 98 -13.307 4.396 4.581 1.00 0.00 H new ATOM 0 HB3 SER A 98 -14.819 3.983 5.364 1.00 0.00 H new ATOM 0 HG SER A 98 -13.252 6.065 5.906 1.00 0.00 H new ATOM 1506 N ASN A 99 -12.204 1.016 5.069 1.00 0.00 N ATOM 1507 CA ASN A 99 -12.331 -0.229 4.259 1.00 0.00 C ATOM 1508 C ASN A 99 -13.227 0.004 3.038 1.00 0.00 C ATOM 1509 O ASN A 99 -14.437 -0.031 3.131 1.00 0.00 O ATOM 1510 CB ASN A 99 -12.989 -1.209 5.224 1.00 0.00 C ATOM 1511 CG ASN A 99 -12.006 -1.590 6.334 1.00 0.00 C ATOM 1512 OD1 ASN A 99 -12.374 -2.274 7.268 1.00 0.00 O ATOM 1513 ND2 ASN A 99 -10.762 -1.181 6.280 1.00 0.00 N ATOM 0 H ASN A 99 -11.258 1.244 5.374 1.00 0.00 H new ATOM 0 HA ASN A 99 -11.376 -0.582 3.870 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -13.883 -0.761 5.657 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -13.308 -2.102 4.687 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -10.108 -1.437 7.020 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -10.448 -0.606 5.498 1.00 0.00 H new ATOM 1520 N ILE A 100 -12.649 0.244 1.891 1.00 0.00 N ATOM 1521 CA ILE A 100 -13.500 0.485 0.687 1.00 0.00 C ATOM 1522 C ILE A 100 -12.739 0.289 -0.644 1.00 0.00 C ATOM 1523 O ILE A 100 -13.254 -0.351 -1.540 1.00 0.00 O ATOM 1524 CB ILE A 100 -14.028 1.938 0.779 1.00 0.00 C ATOM 1525 CG1 ILE A 100 -13.389 2.737 1.935 1.00 0.00 C ATOM 1526 CG2 ILE A 100 -15.542 1.909 0.990 1.00 0.00 C ATOM 1527 CD1 ILE A 100 -12.861 4.065 1.394 1.00 0.00 C ATOM 0 H ILE A 100 -11.642 0.284 1.735 1.00 0.00 H new ATOM 0 HA ILE A 100 -14.310 -0.245 0.682 1.00 0.00 H new ATOM 0 HB ILE A 100 -13.762 2.434 -0.155 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -14.124 2.916 2.719 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -12.577 2.165 2.384 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -15.920 2.929 1.056 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -16.017 1.400 0.151 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -15.771 1.377 1.914 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -12.408 4.634 2.206 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -12.113 3.873 0.624 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -13.684 4.636 0.965 1.00 0.00 H new ATOM 1539 N PRO A 101 -11.571 0.876 -0.771 1.00 0.00 N ATOM 1540 CA PRO A 101 -10.814 0.779 -2.038 1.00 0.00 C ATOM 1541 C PRO A 101 -9.849 -0.408 -2.045 1.00 0.00 C ATOM 1542 O PRO A 101 -8.755 -0.316 -2.565 1.00 0.00 O ATOM 1543 CB PRO A 101 -10.029 2.081 -2.056 1.00 0.00 C ATOM 1544 CG PRO A 101 -9.878 2.488 -0.617 1.00 0.00 C ATOM 1545 CD PRO A 101 -10.840 1.670 0.213 1.00 0.00 C ATOM 0 HA PRO A 101 -11.465 0.629 -2.899 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -9.056 1.944 -2.528 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -10.555 2.847 -2.626 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -8.854 2.324 -0.282 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -10.085 3.552 -0.500 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -10.313 1.035 0.925 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -11.511 2.307 0.789 1.00 0.00 H new ATOM 1553 N LEU A 102 -10.222 -1.518 -1.481 1.00 0.00 N ATOM 1554 CA LEU A 102 -9.281 -2.677 -1.486 1.00 0.00 C ATOM 1555 C LEU A 102 -9.643 -3.662 -2.602 1.00 0.00 C ATOM 1556 O LEU A 102 -10.801 -3.855 -2.913 1.00 0.00 O ATOM 1557 CB LEU A 102 -9.438 -3.351 -0.120 1.00 0.00 C ATOM 1558 CG LEU A 102 -9.101 -2.375 1.014 1.00 0.00 C ATOM 1559 CD1 LEU A 102 -7.943 -1.456 0.612 1.00 0.00 C ATOM 1560 CD2 LEU A 102 -10.330 -1.530 1.335 1.00 0.00 C ATOM 0 H LEU A 102 -11.120 -1.677 -1.023 1.00 0.00 H new ATOM 0 HA LEU A 102 -8.256 -2.352 -1.663 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -10.460 -3.711 -0.003 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -8.784 -4.221 -0.062 1.00 0.00 H new ATOM 0 HG LEU A 102 -8.802 -2.949 1.891 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -7.720 -0.772 1.431 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -7.061 -2.057 0.392 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -8.223 -0.884 -0.273 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -10.093 -0.835 2.141 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -10.628 -0.970 0.449 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -11.148 -2.180 1.645 1.00 0.00 H new ATOM 1572 N LEU A 103 -8.659 -4.296 -3.197 1.00 0.00 N ATOM 1573 CA LEU A 103 -8.961 -5.283 -4.296 1.00 0.00 C ATOM 1574 C LEU A 103 -7.663 -5.853 -4.886 1.00 0.00 C ATOM 1575 O LEU A 103 -6.787 -6.260 -4.168 1.00 0.00 O ATOM 1576 CB LEU A 103 -9.717 -4.492 -5.364 1.00 0.00 C ATOM 1577 CG LEU A 103 -8.809 -3.394 -5.910 1.00 0.00 C ATOM 1578 CD1 LEU A 103 -9.079 -3.198 -7.403 1.00 0.00 C ATOM 1579 CD2 LEU A 103 -9.094 -2.095 -5.163 1.00 0.00 C ATOM 0 H LEU A 103 -7.670 -4.178 -2.976 1.00 0.00 H new ATOM 0 HA LEU A 103 -9.542 -6.127 -3.923 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -10.032 -5.155 -6.170 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -10.621 -4.055 -4.939 1.00 0.00 H new ATOM 0 HG LEU A 103 -7.766 -3.677 -5.770 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -8.429 -2.413 -7.790 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -8.880 -4.129 -7.934 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -10.120 -2.912 -7.550 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -8.449 -1.305 -5.548 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -10.137 -1.814 -5.307 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -8.900 -2.237 -4.100 1.00 0.00 H new ATOM 1591 N THR A 104 -7.527 -5.883 -6.190 1.00 0.00 N ATOM 1592 CA THR A 104 -6.274 -6.424 -6.784 1.00 0.00 C ATOM 1593 C THR A 104 -5.530 -5.311 -7.537 1.00 0.00 C ATOM 1594 O THR A 104 -5.183 -4.299 -6.963 1.00 0.00 O ATOM 1595 CB THR A 104 -6.704 -7.559 -7.729 1.00 0.00 C ATOM 1596 OG1 THR A 104 -5.627 -7.876 -8.600 1.00 0.00 O ATOM 1597 CG2 THR A 104 -7.920 -7.133 -8.556 1.00 0.00 C ATOM 0 H THR A 104 -8.225 -5.559 -6.860 1.00 0.00 H new ATOM 0 HA THR A 104 -5.589 -6.801 -6.025 1.00 0.00 H new ATOM 0 HB THR A 104 -6.972 -8.433 -7.135 1.00 0.00 H new ATOM 0 HG1 THR A 104 -5.896 -8.600 -9.203 1.00 0.00 H new ATOM 0 HG21 THR A 104 -8.212 -7.947 -9.220 1.00 0.00 H new ATOM 0 HG22 THR A 104 -8.748 -6.894 -7.889 1.00 0.00 H new ATOM 0 HG23 THR A 104 -7.667 -6.254 -9.149 1.00 0.00 H new ATOM 1605 N LYS A 105 -5.275 -5.478 -8.810 1.00 0.00 N ATOM 1606 CA LYS A 105 -4.549 -4.412 -9.562 1.00 0.00 C ATOM 1607 C LYS A 105 -5.155 -4.206 -10.950 1.00 0.00 C ATOM 1608 O LYS A 105 -4.475 -4.334 -11.948 1.00 0.00 O ATOM 1609 CB LYS A 105 -3.119 -4.923 -9.677 1.00 0.00 C ATOM 1610 CG LYS A 105 -2.332 -4.470 -8.450 1.00 0.00 C ATOM 1611 CD LYS A 105 -1.178 -5.437 -8.201 1.00 0.00 C ATOM 1612 CE LYS A 105 -0.096 -5.223 -9.262 1.00 0.00 C ATOM 1613 NZ LYS A 105 -0.020 -6.516 -9.997 1.00 0.00 N ATOM 0 H LYS A 105 -5.536 -6.299 -9.356 1.00 0.00 H new ATOM 0 HA LYS A 105 -4.608 -3.448 -9.056 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -3.112 -6.011 -9.749 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -2.654 -4.540 -10.586 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -1.949 -3.461 -8.603 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -2.985 -4.434 -7.578 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -0.763 -5.277 -7.206 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -1.537 -6.465 -8.235 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -0.355 -4.403 -9.931 1.00 0.00 H new ATOM 0 HE3 LYS A 105 0.861 -4.971 -8.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 0.150 -6.332 -11.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 0.759 -7.088 -9.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -0.916 -7.032 -9.886 1.00 0.00 H new ATOM 1627 N PRO A 106 -6.414 -3.865 -10.966 1.00 0.00 N ATOM 1628 CA PRO A 106 -7.111 -3.606 -12.234 1.00 0.00 C ATOM 1629 C PRO A 106 -6.897 -2.141 -12.613 1.00 0.00 C ATOM 1630 O PRO A 106 -7.167 -1.723 -13.721 1.00 0.00 O ATOM 1631 CB PRO A 106 -8.573 -3.884 -11.896 1.00 0.00 C ATOM 1632 CG PRO A 106 -8.693 -3.672 -10.414 1.00 0.00 C ATOM 1633 CD PRO A 106 -7.301 -3.684 -9.817 1.00 0.00 C ATOM 0 HA PRO A 106 -6.766 -4.209 -13.074 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -9.236 -3.213 -12.443 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -8.852 -4.901 -12.170 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -9.187 -2.723 -10.205 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -9.305 -4.456 -9.967 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -7.086 -2.753 -9.292 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -7.185 -4.492 -9.095 1.00 0.00 H new ATOM 1641 N PHE A 107 -6.405 -1.361 -11.682 1.00 0.00 N ATOM 1642 CA PHE A 107 -6.157 0.081 -11.948 1.00 0.00 C ATOM 1643 C PHE A 107 -7.457 0.777 -12.350 1.00 0.00 C ATOM 1644 O PHE A 107 -7.542 1.463 -13.349 1.00 0.00 O ATOM 1645 CB PHE A 107 -5.110 0.107 -13.057 1.00 0.00 C ATOM 1646 CG PHE A 107 -3.748 0.016 -12.408 1.00 0.00 C ATOM 1647 CD1 PHE A 107 -3.410 -1.119 -11.659 1.00 0.00 C ATOM 1648 CD2 PHE A 107 -2.837 1.071 -12.528 1.00 0.00 C ATOM 1649 CE1 PHE A 107 -2.160 -1.203 -11.034 1.00 0.00 C ATOM 1650 CE2 PHE A 107 -1.586 0.990 -11.900 1.00 0.00 C ATOM 1651 CZ PHE A 107 -1.246 -0.146 -11.153 1.00 0.00 C ATOM 0 H PHE A 107 -6.164 -1.670 -10.740 1.00 0.00 H new ATOM 0 HA PHE A 107 -5.799 0.619 -11.070 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -5.262 -0.725 -13.745 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -5.195 1.024 -13.641 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -4.116 -1.931 -11.564 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -3.097 1.947 -13.104 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -1.900 -2.081 -10.461 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -0.883 1.805 -11.992 1.00 0.00 H new ATOM 0 HZ PHE A 107 -0.282 -0.207 -10.670 1.00 0.00 H new ATOM 1661 N LEU A 108 -8.459 0.608 -11.538 1.00 0.00 N ATOM 1662 CA LEU A 108 -9.779 1.247 -11.781 1.00 0.00 C ATOM 1663 C LEU A 108 -10.434 1.470 -10.420 1.00 0.00 C ATOM 1664 O LEU A 108 -10.907 2.543 -10.103 1.00 0.00 O ATOM 1665 CB LEU A 108 -10.576 0.243 -12.622 1.00 0.00 C ATOM 1666 CG LEU A 108 -12.069 0.601 -12.607 1.00 0.00 C ATOM 1667 CD1 LEU A 108 -12.714 0.050 -11.335 1.00 0.00 C ATOM 1668 CD2 LEU A 108 -12.242 2.123 -12.653 1.00 0.00 C ATOM 0 H LEU A 108 -8.417 0.038 -10.693 1.00 0.00 H new ATOM 0 HA LEU A 108 -9.717 2.205 -12.298 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -10.206 0.242 -13.647 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -10.433 -0.764 -12.231 1.00 0.00 H new ATOM 0 HG LEU A 108 -12.551 0.161 -13.480 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -13.774 0.304 -11.325 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -12.601 -1.034 -11.310 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -12.228 0.486 -10.462 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -13.304 2.369 -12.642 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -11.757 2.571 -11.786 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -11.789 2.513 -13.564 1.00 0.00 H new ATOM 1680 N ASP A 109 -10.417 0.455 -9.600 1.00 0.00 N ATOM 1681 CA ASP A 109 -10.985 0.574 -8.229 1.00 0.00 C ATOM 1682 C ASP A 109 -9.838 0.526 -7.212 1.00 0.00 C ATOM 1683 O ASP A 109 -10.031 0.712 -6.027 1.00 0.00 O ATOM 1684 CB ASP A 109 -11.898 -0.645 -8.061 1.00 0.00 C ATOM 1685 CG ASP A 109 -13.202 -0.224 -7.376 1.00 0.00 C ATOM 1686 OD1 ASP A 109 -14.082 0.261 -8.068 1.00 0.00 O ATOM 1687 OD2 ASP A 109 -13.299 -0.397 -6.171 1.00 0.00 O ATOM 0 H ASP A 109 -10.029 -0.461 -9.825 1.00 0.00 H new ATOM 0 HA ASP A 109 -11.532 1.504 -8.077 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -12.113 -1.087 -9.034 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -11.395 -1.409 -7.468 1.00 0.00 H new ATOM 1692 N SER A 110 -8.642 0.265 -7.680 1.00 0.00 N ATOM 1693 CA SER A 110 -7.462 0.185 -6.768 1.00 0.00 C ATOM 1694 C SER A 110 -7.042 1.584 -6.297 1.00 0.00 C ATOM 1695 O SER A 110 -7.855 2.348 -5.818 1.00 0.00 O ATOM 1696 CB SER A 110 -6.372 -0.455 -7.626 1.00 0.00 C ATOM 1697 OG SER A 110 -5.199 -0.629 -6.844 1.00 0.00 O ATOM 0 H SER A 110 -8.433 0.103 -8.665 1.00 0.00 H new ATOM 0 HA SER A 110 -7.668 -0.386 -5.863 1.00 0.00 H new ATOM 0 HB2 SER A 110 -6.713 -1.417 -8.009 1.00 0.00 H new ATOM 0 HB3 SER A 110 -6.157 0.174 -8.490 1.00 0.00 H new ATOM 0 HG SER A 110 -4.411 -0.400 -7.380 1.00 0.00 H new ATOM 1703 N GLU A 111 -5.776 1.916 -6.420 1.00 0.00 N ATOM 1704 CA GLU A 111 -5.294 3.261 -5.973 1.00 0.00 C ATOM 1705 C GLU A 111 -6.359 4.329 -6.235 1.00 0.00 C ATOM 1706 O GLU A 111 -6.684 5.119 -5.371 1.00 0.00 O ATOM 1707 CB GLU A 111 -4.049 3.529 -6.818 1.00 0.00 C ATOM 1708 CG GLU A 111 -3.006 4.265 -5.977 1.00 0.00 C ATOM 1709 CD GLU A 111 -2.702 5.621 -6.618 1.00 0.00 C ATOM 1710 OE1 GLU A 111 -3.584 6.463 -6.621 1.00 0.00 O ATOM 1711 OE2 GLU A 111 -1.594 5.792 -7.099 1.00 0.00 O ATOM 0 H GLU A 111 -5.055 1.310 -6.812 1.00 0.00 H new ATOM 0 HA GLU A 111 -5.082 3.288 -4.904 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -3.637 2.589 -7.185 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -4.312 4.125 -7.692 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -3.375 4.405 -4.961 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -2.095 3.671 -5.906 1.00 0.00 H new ATOM 1718 N LEU A 112 -6.911 4.344 -7.418 1.00 0.00 N ATOM 1719 CA LEU A 112 -7.971 5.348 -7.737 1.00 0.00 C ATOM 1720 C LEU A 112 -8.931 5.440 -6.556 1.00 0.00 C ATOM 1721 O LEU A 112 -8.975 6.426 -5.847 1.00 0.00 O ATOM 1722 CB LEU A 112 -8.704 4.805 -8.969 1.00 0.00 C ATOM 1723 CG LEU A 112 -7.695 4.387 -10.037 1.00 0.00 C ATOM 1724 CD1 LEU A 112 -8.432 4.062 -11.340 1.00 0.00 C ATOM 1725 CD2 LEU A 112 -6.706 5.533 -10.274 1.00 0.00 C ATOM 0 H LEU A 112 -6.675 3.706 -8.178 1.00 0.00 H new ATOM 0 HA LEU A 112 -7.562 6.340 -7.926 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -9.322 3.952 -8.688 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -9.374 5.566 -9.368 1.00 0.00 H new ATOM 0 HG LEU A 112 -7.153 3.503 -9.702 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -7.711 3.764 -12.101 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -9.135 3.247 -11.167 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -8.975 4.944 -11.680 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -5.984 5.239 -11.036 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -7.248 6.417 -10.610 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -6.182 5.759 -9.345 1.00 0.00 H new ATOM 1737 N GLU A 113 -9.681 4.401 -6.322 1.00 0.00 N ATOM 1738 CA GLU A 113 -10.613 4.408 -5.170 1.00 0.00 C ATOM 1739 C GLU A 113 -9.810 4.547 -3.885 1.00 0.00 C ATOM 1740 O GLU A 113 -10.257 5.112 -2.908 1.00 0.00 O ATOM 1741 CB GLU A 113 -11.308 3.047 -5.208 1.00 0.00 C ATOM 1742 CG GLU A 113 -12.815 3.261 -5.103 1.00 0.00 C ATOM 1743 CD GLU A 113 -13.529 2.474 -6.203 1.00 0.00 C ATOM 1744 OE1 GLU A 113 -13.206 2.685 -7.360 1.00 0.00 O ATOM 1745 OE2 GLU A 113 -14.389 1.675 -5.868 1.00 0.00 O ATOM 0 H GLU A 113 -9.687 3.548 -6.881 1.00 0.00 H new ATOM 0 HA GLU A 113 -11.330 5.228 -5.213 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -11.065 2.525 -6.133 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -10.958 2.421 -4.387 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -13.170 2.939 -4.124 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -13.048 4.322 -5.193 1.00 0.00 H new ATOM 1752 N ALA A 114 -8.621 4.025 -3.882 1.00 0.00 N ATOM 1753 CA ALA A 114 -7.785 4.115 -2.658 1.00 0.00 C ATOM 1754 C ALA A 114 -7.577 5.578 -2.280 1.00 0.00 C ATOM 1755 O ALA A 114 -7.503 5.930 -1.119 1.00 0.00 O ATOM 1756 CB ALA A 114 -6.454 3.466 -3.039 1.00 0.00 C ATOM 0 H ALA A 114 -8.192 3.541 -4.671 1.00 0.00 H new ATOM 0 HA ALA A 114 -8.246 3.623 -1.801 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -5.778 3.493 -2.184 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -6.625 2.431 -3.334 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -6.008 4.011 -3.871 1.00 0.00 H new ATOM 1762 N VAL A 115 -7.473 6.433 -3.256 1.00 0.00 N ATOM 1763 CA VAL A 115 -7.259 7.877 -2.956 1.00 0.00 C ATOM 1764 C VAL A 115 -8.516 8.702 -3.257 1.00 0.00 C ATOM 1765 O VAL A 115 -8.676 9.798 -2.759 1.00 0.00 O ATOM 1766 CB VAL A 115 -6.102 8.310 -3.862 1.00 0.00 C ATOM 1767 CG1 VAL A 115 -5.480 9.596 -3.311 1.00 0.00 C ATOM 1768 CG2 VAL A 115 -5.035 7.213 -3.901 1.00 0.00 C ATOM 0 H VAL A 115 -7.527 6.197 -4.247 1.00 0.00 H new ATOM 0 HA VAL A 115 -7.037 8.035 -1.901 1.00 0.00 H new ATOM 0 HB VAL A 115 -6.481 8.483 -4.869 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -4.656 9.906 -3.954 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -6.235 10.382 -3.283 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -5.106 9.416 -2.303 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -4.215 7.526 -4.547 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -4.657 7.037 -2.894 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -5.472 6.294 -4.290 1.00 0.00 H new ATOM 1778 N LEU A 116 -9.395 8.207 -4.086 1.00 0.00 N ATOM 1779 CA LEU A 116 -10.614 9.002 -4.425 1.00 0.00 C ATOM 1780 C LEU A 116 -11.786 8.681 -3.480 1.00 0.00 C ATOM 1781 O LEU A 116 -12.794 9.359 -3.491 1.00 0.00 O ATOM 1782 CB LEU A 116 -10.931 8.636 -5.889 1.00 0.00 C ATOM 1783 CG LEU A 116 -12.107 7.655 -5.975 1.00 0.00 C ATOM 1784 CD1 LEU A 116 -13.420 8.440 -5.995 1.00 0.00 C ATOM 1785 CD2 LEU A 116 -11.987 6.832 -7.259 1.00 0.00 C ATOM 0 H LEU A 116 -9.325 7.296 -4.540 1.00 0.00 H new ATOM 0 HA LEU A 116 -10.448 10.073 -4.306 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -11.167 9.541 -6.449 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -10.050 8.193 -6.355 1.00 0.00 H new ATOM 0 HG LEU A 116 -12.093 6.989 -5.112 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -14.258 7.746 -6.056 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -13.504 9.031 -5.083 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -13.434 9.103 -6.860 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -12.822 6.134 -7.323 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -12.005 7.498 -8.121 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -11.049 6.277 -7.249 1.00 0.00 H new ATOM 1797 N VAL A 117 -11.673 7.666 -2.666 1.00 0.00 N ATOM 1798 CA VAL A 117 -12.801 7.343 -1.741 1.00 0.00 C ATOM 1799 C VAL A 117 -12.559 7.952 -0.356 1.00 0.00 C ATOM 1800 O VAL A 117 -13.429 7.947 0.491 1.00 0.00 O ATOM 1801 CB VAL A 117 -12.846 5.824 -1.653 1.00 0.00 C ATOM 1802 CG1 VAL A 117 -14.142 5.399 -0.961 1.00 0.00 C ATOM 1803 CG2 VAL A 117 -12.803 5.221 -3.058 1.00 0.00 C ATOM 0 H VAL A 117 -10.861 7.053 -2.600 1.00 0.00 H new ATOM 0 HA VAL A 117 -13.743 7.753 -2.106 1.00 0.00 H new ATOM 0 HB VAL A 117 -11.987 5.470 -1.083 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -14.180 4.312 -0.895 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -14.175 5.825 0.042 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -14.996 5.757 -1.536 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -12.835 4.134 -2.988 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -13.660 5.574 -3.632 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -11.883 5.525 -3.557 1.00 0.00 H new ATOM 1813 N GLN A 118 -11.389 8.476 -0.114 1.00 0.00 N ATOM 1814 CA GLN A 118 -11.114 9.079 1.224 1.00 0.00 C ATOM 1815 C GLN A 118 -10.463 10.456 1.066 1.00 0.00 C ATOM 1816 O GLN A 118 -9.376 10.700 1.551 1.00 0.00 O ATOM 1817 CB GLN A 118 -10.159 8.106 1.917 1.00 0.00 C ATOM 1818 CG GLN A 118 -10.438 8.099 3.423 1.00 0.00 C ATOM 1819 CD GLN A 118 -11.863 7.602 3.691 1.00 0.00 C ATOM 1820 OE1 GLN A 118 -12.367 7.741 4.788 1.00 0.00 O ATOM 1821 NE2 GLN A 118 -12.538 7.021 2.735 1.00 0.00 N ATOM 0 H GLN A 118 -10.616 8.514 -0.778 1.00 0.00 H new ATOM 0 HA GLN A 118 -12.027 9.228 1.800 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -10.285 7.103 1.509 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -9.126 8.399 1.729 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -9.719 7.457 3.931 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -10.312 9.103 3.829 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -12.118 6.903 1.813 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -13.485 6.686 2.911 1.00 0.00 H new ATOM 1830 N ILE A 119 -11.128 11.361 0.403 1.00 0.00 N ATOM 1831 CA ILE A 119 -10.556 12.733 0.227 1.00 0.00 C ATOM 1832 C ILE A 119 -11.325 13.707 1.127 1.00 0.00 C ATOM 1833 O ILE A 119 -10.827 14.748 1.509 1.00 0.00 O ATOM 1834 CB ILE A 119 -10.693 13.088 -1.283 1.00 0.00 C ATOM 1835 CG1 ILE A 119 -11.334 14.473 -1.464 1.00 0.00 C ATOM 1836 CG2 ILE A 119 -11.544 12.050 -2.025 1.00 0.00 C ATOM 1837 CD1 ILE A 119 -12.828 14.397 -1.142 1.00 0.00 C ATOM 0 H ILE A 119 -12.042 11.214 -0.025 1.00 0.00 H new ATOM 0 HA ILE A 119 -9.506 12.791 0.513 1.00 0.00 H new ATOM 0 HB ILE A 119 -9.687 13.092 -1.702 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -10.848 15.197 -0.810 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -11.190 14.820 -2.487 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -11.620 12.327 -3.077 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -11.076 11.069 -1.941 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -12.541 12.016 -1.586 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -13.279 15.381 -1.272 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -13.309 13.686 -1.814 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -12.962 14.070 -0.111 1.00 0.00 H new ATOM 1849 N SER A 120 -12.533 13.359 1.479 1.00 0.00 N ATOM 1850 CA SER A 120 -13.346 14.238 2.370 1.00 0.00 C ATOM 1851 C SER A 120 -13.532 13.546 3.721 1.00 0.00 C ATOM 1852 O SER A 120 -12.754 13.723 4.636 1.00 0.00 O ATOM 1853 CB SER A 120 -14.692 14.384 1.662 1.00 0.00 C ATOM 1854 OG SER A 120 -15.612 15.030 2.528 1.00 0.00 O ATOM 0 H SER A 120 -12.995 12.498 1.186 1.00 0.00 H new ATOM 0 HA SER A 120 -12.878 15.205 2.551 1.00 0.00 H new ATOM 0 HB2 SER A 120 -14.572 14.961 0.745 1.00 0.00 H new ATOM 0 HB3 SER A 120 -15.073 13.404 1.375 1.00 0.00 H new ATOM 0 HG SER A 120 -16.476 15.126 2.075 1.00 0.00 H new ATOM 1860 N LYS A 121 -14.552 12.741 3.834 1.00 0.00 N ATOM 1861 CA LYS A 121 -14.801 12.004 5.102 1.00 0.00 C ATOM 1862 C LYS A 121 -14.747 12.939 6.312 1.00 0.00 C ATOM 1863 O LYS A 121 -13.688 13.363 6.729 1.00 0.00 O ATOM 1864 CB LYS A 121 -13.680 10.970 5.175 1.00 0.00 C ATOM 1865 CG LYS A 121 -14.050 9.888 6.190 1.00 0.00 C ATOM 1866 CD LYS A 121 -15.253 9.094 5.677 1.00 0.00 C ATOM 1867 CE LYS A 121 -16.427 9.261 6.645 1.00 0.00 C ATOM 1868 NZ LYS A 121 -17.177 7.975 6.571 1.00 0.00 N ATOM 0 H LYS A 121 -15.230 12.561 3.093 1.00 0.00 H new ATOM 0 HA LYS A 121 -15.792 11.550 5.117 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -13.518 10.523 4.194 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -12.746 11.451 5.464 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -13.203 9.221 6.351 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -14.285 10.343 7.152 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -15.535 9.442 4.683 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -14.993 8.040 5.583 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -16.077 9.456 7.659 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -17.058 10.102 6.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -17.997 8.014 7.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -17.504 7.819 5.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -16.554 7.193 6.856 1.00 0.00 H new ATOM 1882 N GLU A 122 -15.885 13.258 6.874 1.00 0.00 N ATOM 1883 CA GLU A 122 -15.924 14.163 8.060 1.00 0.00 C ATOM 1884 C GLU A 122 -14.910 15.279 7.870 1.00 0.00 C ATOM 1885 O GLU A 122 -14.225 15.671 8.792 1.00 0.00 O ATOM 1886 CB GLU A 122 -15.568 13.282 9.264 1.00 0.00 C ATOM 1887 CG GLU A 122 -14.112 12.820 9.167 1.00 0.00 C ATOM 1888 CD GLU A 122 -13.685 12.189 10.496 1.00 0.00 C ATOM 1889 OE1 GLU A 122 -14.444 12.284 11.446 1.00 0.00 O ATOM 1890 OE2 GLU A 122 -12.604 11.624 10.541 1.00 0.00 O ATOM 0 H GLU A 122 -16.796 12.927 6.558 1.00 0.00 H new ATOM 0 HA GLU A 122 -16.897 14.633 8.202 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -15.720 13.838 10.189 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -16.230 12.417 9.300 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -14.002 12.098 8.358 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -13.466 13.666 8.930 1.00 0.00 H new ATOM 1897 N VAL A 123 -14.826 15.765 6.656 1.00 0.00 N ATOM 1898 CA VAL A 123 -13.869 16.857 6.293 1.00 0.00 C ATOM 1899 C VAL A 123 -13.202 17.479 7.526 1.00 0.00 C ATOM 1900 O VAL A 123 -12.095 17.076 7.844 1.00 0.00 O ATOM 1901 CB VAL A 123 -14.725 17.900 5.576 1.00 0.00 C ATOM 1902 CG1 VAL A 123 -15.930 18.256 6.447 1.00 0.00 C ATOM 1903 CG2 VAL A 123 -13.892 19.159 5.324 1.00 0.00 C ATOM 0 H VAL A 123 -15.399 15.439 5.878 1.00 0.00 H new ATOM 0 HA VAL A 123 -13.054 16.475 5.678 1.00 0.00 H new ATOM 0 HB VAL A 123 -15.069 17.494 4.625 1.00 0.00 H new ATOM 0 HG11 VAL A 123 -16.541 19.000 5.936 1.00 0.00 H new ATOM 0 HG12 VAL A 123 -16.525 17.361 6.629 1.00 0.00 H new ATOM 0 HG13 VAL A 123 -15.584 18.661 7.398 1.00 0.00 H new ATOM 0 HG21 VAL A 123 -14.503 19.903 4.812 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -13.548 19.564 6.276 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -13.031 18.908 4.704 1.00 0.00 H new TER 1913 VAL A 123 HETATM 1914 CA CA A 201 3.410 -9.107 -9.895 1.00 0.00 CA HETATM 1915 BE BEF A 202 1.314 -7.090 -7.983 1.00 0.00 BE HETATM 1916 F1 BEF A 202 2.018 -7.451 -9.644 1.00 0.00 F HETATM 1917 F2 BEF A 202 1.990 -8.455 -8.124 1.00 0.00 F HETATM 1918 F3 BEF A 202 2.242 -6.121 -8.264 1.00 0.00 F