USER MOD reduce.3.24.130724 H: found=0, std=0, add=829, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 822 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 35 THR OG1 : rot -56:sc= 1.69 USER MOD Set 1.2: A 37 LYS NZ :NH3+ -150:sc= 0.789 (180deg=-0.236) USER MOD Single : A 1 SER N :NH3+ -150:sc= -4.22 (180deg=-5.33!) USER MOD Single : A 1 SER OG : rot -143:sc= -0.681! USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 66:sc= 0.935 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 102:sc= 1.11 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -165:sc= 0.0437 (180deg=-0.194) USER MOD Single : A 30 TYR OH : rot -94:sc= 0.702 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot -130:sc= -2.24! USER MOD Single : A 54 SER OG : rot 38:sc= 0.555 USER MOD Single : A 55 SER OG : rot 145:sc= 0.0896 USER MOD Single : A 58 LYS NZ :NH3+ -164:sc= -0.0536 (180deg=-0.446) USER MOD Single : A 59 GLN : amide:sc= -0.0383 K(o=-0.038,f=-1.8!) USER MOD Single : A 61 GLN :FLIP amide:sc= 0.129 F(o=-0.74,f=0.13) USER MOD Single : A 63 SER OG : rot 3:sc= 0.602 USER MOD Single : A 70 ASN : amide:sc= -2.45 K(o=-2.5,f=-5.3!) USER MOD Single : A 75 GLN : amide:sc= -1.38! C(o=-1.4!,f=-2.6!) USER MOD Single : A 77 ASN : amide:sc= -0.0613 K(o=-0.061,f=-2.1!) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= -0.0208 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 44:sc= -0.0333 USER MOD Single : A 92 SER OG : rot -130:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -0.151 K(o=-0.15,f=-1.6!) USER MOD Single : A 96 ASN : amide:sc= -0.205 K(o=-0.21,f=-0.72) USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 102 HIS : no HD1:sc=-0.00823 X(o=-0.0082,f=-0.43) USER MOD Single : A 103 HIS :FLIP no HD1:sc= -2.47! C(o=-3.7!,f=-2.5!) USER MOD Single : A 104 HIS : no HD1:sc= 0 X(o=0,f=-0.0018) USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 106 HIS : no HD1:sc= -0.037 X(o=-0.037,f=-0.5) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -8.892 0.829 -2.030 1.00 0.00 N ATOM 2 CA SER A 1 -10.202 0.131 -1.901 1.00 0.00 C ATOM 3 C SER A 1 -9.975 -1.346 -1.553 1.00 0.00 C ATOM 4 O SER A 1 -9.588 -1.685 -0.452 1.00 0.00 O ATOM 5 CB SER A 1 -10.962 0.223 -3.225 1.00 0.00 C ATOM 6 OG SER A 1 -12.004 -0.746 -3.232 1.00 0.00 O ATOM 0 H1 SER A 1 -9.003 1.827 -1.761 1.00 0.00 H new ATOM 0 H2 SER A 1 -8.195 0.377 -1.405 1.00 0.00 H new ATOM 0 H3 SER A 1 -8.563 0.770 -3.015 1.00 0.00 H new ATOM 0 HA SER A 1 -10.781 0.605 -1.109 1.00 0.00 H new ATOM 0 HB2 SER A 1 -11.377 1.223 -3.351 1.00 0.00 H new ATOM 0 HB3 SER A 1 -10.284 0.052 -4.061 1.00 0.00 H new ATOM 0 HG SER A 1 -12.099 -1.118 -4.134 1.00 0.00 H new ATOM 14 N ASP A 2 -10.230 -2.224 -2.486 1.00 0.00 N ATOM 15 CA ASP A 2 -10.053 -3.680 -2.226 1.00 0.00 C ATOM 16 C ASP A 2 -8.571 -4.006 -2.022 1.00 0.00 C ATOM 17 O ASP A 2 -7.698 -3.372 -2.583 1.00 0.00 O ATOM 18 CB ASP A 2 -10.587 -4.465 -3.426 1.00 0.00 C ATOM 19 CG ASP A 2 -10.579 -5.962 -3.112 1.00 0.00 C ATOM 20 OD1 ASP A 2 -10.089 -6.327 -2.057 1.00 0.00 O ATOM 21 OD2 ASP A 2 -11.074 -6.719 -3.930 1.00 0.00 O ATOM 0 H ASP A 2 -10.556 -1.992 -3.424 1.00 0.00 H new ATOM 0 HA ASP A 2 -10.600 -3.955 -1.324 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -11.600 -4.139 -3.663 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -9.974 -4.265 -4.305 1.00 0.00 H new ATOM 26 N LEU A 3 -8.283 -4.996 -1.221 1.00 0.00 N ATOM 27 CA LEU A 3 -6.865 -5.374 -0.973 1.00 0.00 C ATOM 28 C LEU A 3 -6.286 -6.042 -2.221 1.00 0.00 C ATOM 29 O LEU A 3 -6.847 -6.983 -2.746 1.00 0.00 O ATOM 30 CB LEU A 3 -6.820 -6.350 0.207 1.00 0.00 C ATOM 31 CG LEU A 3 -5.385 -6.842 0.443 1.00 0.00 C ATOM 32 CD1 LEU A 3 -4.448 -5.648 0.679 1.00 0.00 C ATOM 33 CD2 LEU A 3 -5.374 -7.762 1.669 1.00 0.00 C ATOM 0 H LEU A 3 -8.973 -5.561 -0.726 1.00 0.00 H new ATOM 0 HA LEU A 3 -6.275 -4.487 -0.743 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -7.195 -5.861 1.106 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -7.474 -7.199 0.009 1.00 0.00 H new ATOM 0 HG LEU A 3 -5.037 -7.388 -0.434 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -3.433 -6.009 0.845 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -4.463 -4.996 -0.194 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -4.782 -5.090 1.554 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -4.359 -8.118 1.847 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -5.723 -7.210 2.541 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -6.032 -8.613 1.491 1.00 0.00 H new ATOM 45 N VAL A 4 -5.159 -5.566 -2.698 1.00 0.00 N ATOM 46 CA VAL A 4 -4.535 -6.176 -3.914 1.00 0.00 C ATOM 47 C VAL A 4 -3.018 -6.258 -3.751 1.00 0.00 C ATOM 48 O VAL A 4 -2.431 -5.620 -2.900 1.00 0.00 O ATOM 49 CB VAL A 4 -4.868 -5.331 -5.141 1.00 0.00 C ATOM 50 CG1 VAL A 4 -6.378 -5.358 -5.381 1.00 0.00 C ATOM 51 CG2 VAL A 4 -4.413 -3.889 -4.907 1.00 0.00 C ATOM 0 H VAL A 4 -4.645 -4.781 -2.297 1.00 0.00 H new ATOM 0 HA VAL A 4 -4.932 -7.183 -4.042 1.00 0.00 H new ATOM 0 HB VAL A 4 -4.354 -5.736 -6.013 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -6.618 -4.755 -6.257 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -6.702 -6.385 -5.548 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -6.892 -4.953 -4.510 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -4.651 -3.286 -5.783 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -4.927 -3.482 -4.036 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -3.337 -3.870 -4.735 1.00 0.00 H new ATOM 61 N LYS A 5 -2.386 -7.053 -4.570 1.00 0.00 N ATOM 62 CA LYS A 5 -0.908 -7.213 -4.490 1.00 0.00 C ATOM 63 C LYS A 5 -0.205 -5.997 -5.106 1.00 0.00 C ATOM 64 O LYS A 5 -0.747 -5.313 -5.954 1.00 0.00 O ATOM 65 CB LYS A 5 -0.508 -8.471 -5.260 1.00 0.00 C ATOM 66 CG LYS A 5 -1.069 -9.701 -4.545 1.00 0.00 C ATOM 67 CD LYS A 5 -0.649 -10.965 -5.298 1.00 0.00 C ATOM 68 CE LYS A 5 -1.187 -12.197 -4.569 1.00 0.00 C ATOM 69 NZ LYS A 5 -0.757 -13.430 -5.290 1.00 0.00 N ATOM 0 H LYS A 5 -2.837 -7.605 -5.300 1.00 0.00 H new ATOM 0 HA LYS A 5 -0.611 -7.297 -3.445 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -0.889 -8.424 -6.280 1.00 0.00 H new ATOM 0 HB3 LYS A 5 0.578 -8.540 -5.328 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -0.702 -9.737 -3.519 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -2.156 -9.640 -4.493 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -1.032 -10.937 -6.318 1.00 0.00 H new ATOM 0 HD3 LYS A 5 0.438 -11.016 -5.367 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -0.818 -12.216 -3.543 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -2.275 -12.155 -4.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -1.123 -14.268 -4.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -1.130 -13.412 -6.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 0.282 -13.471 -5.319 1.00 0.00 H new ATOM 83 N ILE A 6 1.003 -5.727 -4.683 1.00 0.00 N ATOM 84 CA ILE A 6 1.760 -4.565 -5.232 1.00 0.00 C ATOM 85 C ILE A 6 2.013 -4.777 -6.731 1.00 0.00 C ATOM 86 O ILE A 6 1.881 -3.873 -7.529 1.00 0.00 O ATOM 87 CB ILE A 6 3.105 -4.452 -4.506 1.00 0.00 C ATOM 88 CG1 ILE A 6 2.862 -4.064 -3.043 1.00 0.00 C ATOM 89 CG2 ILE A 6 3.968 -3.382 -5.184 1.00 0.00 C ATOM 90 CD1 ILE A 6 4.169 -4.193 -2.255 1.00 0.00 C ATOM 0 H ILE A 6 1.500 -6.267 -3.975 1.00 0.00 H new ATOM 0 HA ILE A 6 1.181 -3.653 -5.086 1.00 0.00 H new ATOM 0 HB ILE A 6 3.622 -5.411 -4.548 1.00 0.00 H new ATOM 0 HG12 ILE A 6 2.489 -3.041 -2.984 1.00 0.00 H new ATOM 0 HG13 ILE A 6 2.098 -4.707 -2.607 1.00 0.00 H new ATOM 0 HG21 ILE A 6 4.924 -3.303 -4.666 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.141 -3.659 -6.224 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.454 -2.422 -5.145 1.00 0.00 H new ATOM 0 HD11 ILE A 6 3.996 -3.917 -1.215 1.00 0.00 H new ATOM 0 HD12 ILE A 6 4.523 -5.223 -2.303 1.00 0.00 H new ATOM 0 HD13 ILE A 6 4.920 -3.531 -2.686 1.00 0.00 H new ATOM 102 N ARG A 7 2.390 -5.965 -7.114 1.00 0.00 N ATOM 103 CA ARG A 7 2.668 -6.238 -8.551 1.00 0.00 C ATOM 104 C ARG A 7 1.384 -6.074 -9.373 1.00 0.00 C ATOM 105 O ARG A 7 1.423 -5.874 -10.571 1.00 0.00 O ATOM 106 CB ARG A 7 3.199 -7.666 -8.699 1.00 0.00 C ATOM 107 CG ARG A 7 4.615 -7.746 -8.117 1.00 0.00 C ATOM 108 CD ARG A 7 5.122 -9.190 -8.186 1.00 0.00 C ATOM 109 NE ARG A 7 5.206 -9.625 -9.613 1.00 0.00 N ATOM 110 CZ ARG A 7 6.282 -9.388 -10.319 1.00 0.00 C ATOM 111 NH1 ARG A 7 7.303 -8.775 -9.785 1.00 0.00 N ATOM 112 NH2 ARG A 7 6.334 -9.770 -11.566 1.00 0.00 N ATOM 0 H ARG A 7 2.518 -6.762 -6.490 1.00 0.00 H new ATOM 0 HA ARG A 7 3.413 -5.531 -8.917 1.00 0.00 H new ATOM 0 HB2 ARG A 7 2.542 -8.365 -8.182 1.00 0.00 H new ATOM 0 HB3 ARG A 7 3.209 -7.955 -9.750 1.00 0.00 H new ATOM 0 HG2 ARG A 7 5.284 -7.089 -8.672 1.00 0.00 H new ATOM 0 HG3 ARG A 7 4.614 -7.400 -7.083 1.00 0.00 H new ATOM 0 HD2 ARG A 7 6.102 -9.265 -7.714 1.00 0.00 H new ATOM 0 HD3 ARG A 7 4.451 -9.848 -7.634 1.00 0.00 H new ATOM 0 HE ARG A 7 4.418 -10.111 -10.041 1.00 0.00 H new ATOM 0 HH11 ARG A 7 7.266 -8.477 -8.810 1.00 0.00 H new ATOM 0 HH12 ARG A 7 8.138 -8.594 -10.342 1.00 0.00 H new ATOM 0 HH21 ARG A 7 5.538 -10.251 -11.986 1.00 0.00 H new ATOM 0 HH22 ARG A 7 7.170 -9.588 -12.121 1.00 0.00 H new ATOM 126 N ASP A 8 0.245 -6.158 -8.740 1.00 0.00 N ATOM 127 CA ASP A 8 -1.042 -6.009 -9.480 1.00 0.00 C ATOM 128 C ASP A 8 -1.437 -4.527 -9.540 1.00 0.00 C ATOM 129 O ASP A 8 -2.475 -4.175 -10.062 1.00 0.00 O ATOM 130 CB ASP A 8 -2.132 -6.795 -8.748 1.00 0.00 C ATOM 131 CG ASP A 8 -1.851 -8.295 -8.870 1.00 0.00 C ATOM 132 OD1 ASP A 8 -1.032 -8.659 -9.699 1.00 0.00 O ATOM 133 OD2 ASP A 8 -2.458 -9.053 -8.132 1.00 0.00 O ATOM 0 H ASP A 8 0.150 -6.324 -7.738 1.00 0.00 H new ATOM 0 HA ASP A 8 -0.926 -6.391 -10.494 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -2.162 -6.504 -7.698 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -3.109 -6.562 -9.171 1.00 0.00 H new ATOM 138 N VAL A 9 -0.625 -3.658 -9.000 1.00 0.00 N ATOM 139 CA VAL A 9 -0.969 -2.206 -9.019 1.00 0.00 C ATOM 140 C VAL A 9 -0.916 -1.667 -10.449 1.00 0.00 C ATOM 141 O VAL A 9 0.031 -1.889 -11.177 1.00 0.00 O ATOM 142 CB VAL A 9 0.024 -1.441 -8.139 1.00 0.00 C ATOM 143 CG1 VAL A 9 -0.193 0.068 -8.294 1.00 0.00 C ATOM 144 CG2 VAL A 9 -0.192 -1.840 -6.674 1.00 0.00 C ATOM 0 H VAL A 9 0.259 -3.890 -8.548 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.980 -2.072 -8.634 1.00 0.00 H new ATOM 0 HB VAL A 9 1.041 -1.687 -8.444 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.517 0.604 -7.665 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.042 0.352 -9.335 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.209 0.322 -7.992 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.512 -1.299 -6.042 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.211 -1.593 -6.376 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.031 -2.912 -6.561 1.00 0.00 H new ATOM 154 N SER A 10 -1.934 -0.954 -10.853 1.00 0.00 N ATOM 155 CA SER A 10 -1.955 -0.391 -12.231 1.00 0.00 C ATOM 156 C SER A 10 -2.920 0.796 -12.288 1.00 0.00 C ATOM 157 O SER A 10 -3.717 1.011 -11.396 1.00 0.00 O ATOM 158 CB SER A 10 -2.416 -1.465 -13.215 1.00 0.00 C ATOM 159 OG SER A 10 -3.621 -2.048 -12.739 1.00 0.00 O ATOM 0 H SER A 10 -2.753 -0.738 -10.285 1.00 0.00 H new ATOM 0 HA SER A 10 -0.952 -0.057 -12.498 1.00 0.00 H new ATOM 0 HB2 SER A 10 -2.574 -1.028 -14.201 1.00 0.00 H new ATOM 0 HB3 SER A 10 -1.647 -2.229 -13.325 1.00 0.00 H new ATOM 0 HG SER A 10 -3.922 -2.737 -13.368 1.00 0.00 H new ATOM 165 N LEU A 11 -2.853 1.564 -13.338 1.00 0.00 N ATOM 166 CA LEU A 11 -3.759 2.737 -13.476 1.00 0.00 C ATOM 167 C LEU A 11 -5.207 2.244 -13.600 1.00 0.00 C ATOM 168 O LEU A 11 -6.147 2.974 -13.358 1.00 0.00 O ATOM 169 CB LEU A 11 -3.365 3.512 -14.736 1.00 0.00 C ATOM 170 CG LEU A 11 -1.915 4.005 -14.612 1.00 0.00 C ATOM 171 CD1 LEU A 11 -1.490 4.680 -15.921 1.00 0.00 C ATOM 172 CD2 LEU A 11 -1.787 5.007 -13.450 1.00 0.00 C ATOM 0 H LEU A 11 -2.204 1.428 -14.113 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.676 3.385 -12.604 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.468 2.874 -15.614 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.036 4.359 -14.878 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.268 3.151 -14.412 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -0.461 5.030 -15.833 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.561 3.964 -16.739 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.145 5.527 -16.123 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.754 5.347 -13.375 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -2.438 5.862 -13.633 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.078 4.522 -12.518 1.00 0.00 H new ATOM 184 N SER A 12 -5.390 1.008 -13.976 1.00 0.00 N ATOM 185 CA SER A 12 -6.771 0.464 -14.116 1.00 0.00 C ATOM 186 C SER A 12 -7.460 0.456 -12.749 1.00 0.00 C ATOM 187 O SER A 12 -8.665 0.337 -12.656 1.00 0.00 O ATOM 188 CB SER A 12 -6.698 -0.963 -14.654 1.00 0.00 C ATOM 189 OG SER A 12 -8.015 -1.456 -14.861 1.00 0.00 O ATOM 0 H SER A 12 -4.641 0.350 -14.193 1.00 0.00 H new ATOM 0 HA SER A 12 -7.340 1.088 -14.805 1.00 0.00 H new ATOM 0 HB2 SER A 12 -6.139 -0.983 -15.589 1.00 0.00 H new ATOM 0 HB3 SER A 12 -6.165 -1.602 -13.950 1.00 0.00 H new ATOM 0 HG SER A 12 -7.971 -2.371 -15.208 1.00 0.00 H new ATOM 195 N THR A 13 -6.700 0.582 -11.687 1.00 0.00 N ATOM 196 CA THR A 13 -7.290 0.586 -10.312 1.00 0.00 C ATOM 197 C THR A 13 -6.956 1.917 -9.626 1.00 0.00 C ATOM 198 O THR A 13 -5.994 2.014 -8.891 1.00 0.00 O ATOM 199 CB THR A 13 -6.687 -0.566 -9.504 1.00 0.00 C ATOM 200 OG1 THR A 13 -5.323 -0.282 -9.222 1.00 0.00 O ATOM 201 CG2 THR A 13 -6.784 -1.860 -10.313 1.00 0.00 C ATOM 0 H THR A 13 -5.685 0.683 -11.716 1.00 0.00 H new ATOM 0 HA THR A 13 -8.372 0.465 -10.372 1.00 0.00 H new ATOM 0 HB THR A 13 -7.234 -0.682 -8.568 1.00 0.00 H new ATOM 0 HG1 THR A 13 -5.267 0.498 -8.631 1.00 0.00 H new ATOM 0 HG21 THR A 13 -6.355 -2.681 -9.739 1.00 0.00 H new ATOM 0 HG22 THR A 13 -7.830 -2.076 -10.529 1.00 0.00 H new ATOM 0 HG23 THR A 13 -6.236 -1.746 -11.248 1.00 0.00 H new ATOM 209 N PRO A 14 -7.743 2.939 -9.871 1.00 0.00 N ATOM 210 CA PRO A 14 -7.522 4.287 -9.268 1.00 0.00 C ATOM 211 C PRO A 14 -7.386 4.224 -7.745 1.00 0.00 C ATOM 212 O PRO A 14 -6.562 4.901 -7.162 1.00 0.00 O ATOM 213 CB PRO A 14 -8.784 5.076 -9.659 1.00 0.00 C ATOM 214 CG PRO A 14 -9.293 4.404 -10.892 1.00 0.00 C ATOM 215 CD PRO A 14 -8.925 2.926 -10.750 1.00 0.00 C ATOM 0 HA PRO A 14 -6.597 4.741 -9.623 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -9.527 5.053 -8.862 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -8.552 6.124 -9.848 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -10.371 4.530 -10.988 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -8.841 4.834 -11.786 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -9.742 2.351 -10.313 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -8.699 2.476 -11.717 1.00 0.00 H new ATOM 223 N TYR A 15 -8.192 3.414 -7.101 1.00 0.00 N ATOM 224 CA TYR A 15 -8.124 3.299 -5.612 1.00 0.00 C ATOM 225 C TYR A 15 -7.843 1.849 -5.218 1.00 0.00 C ATOM 226 O TYR A 15 -8.526 0.937 -5.637 1.00 0.00 O ATOM 227 CB TYR A 15 -9.459 3.740 -5.011 1.00 0.00 C ATOM 228 CG TYR A 15 -9.676 5.207 -5.314 1.00 0.00 C ATOM 229 CD1 TYR A 15 -8.839 6.170 -4.733 1.00 0.00 C ATOM 230 CD2 TYR A 15 -10.711 5.606 -6.171 1.00 0.00 C ATOM 231 CE1 TYR A 15 -9.037 7.529 -5.009 1.00 0.00 C ATOM 232 CE2 TYR A 15 -10.907 6.965 -6.446 1.00 0.00 C ATOM 233 CZ TYR A 15 -10.072 7.926 -5.865 1.00 0.00 C ATOM 234 OH TYR A 15 -10.267 9.265 -6.136 1.00 0.00 O ATOM 0 H TYR A 15 -8.897 2.826 -7.546 1.00 0.00 H new ATOM 0 HA TYR A 15 -7.323 3.935 -5.236 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -10.273 3.146 -5.426 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -9.460 3.574 -3.934 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -8.041 5.864 -4.072 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -11.357 4.866 -6.619 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -8.392 8.271 -4.562 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -11.704 7.272 -7.107 1.00 0.00 H new ATOM 0 HH TYR A 15 -11.025 9.368 -6.748 1.00 0.00 H new ATOM 244 N VAL A 16 -6.841 1.630 -4.405 1.00 0.00 N ATOM 245 CA VAL A 16 -6.515 0.239 -3.968 1.00 0.00 C ATOM 246 C VAL A 16 -6.020 0.255 -2.524 1.00 0.00 C ATOM 247 O VAL A 16 -5.618 1.277 -2.008 1.00 0.00 O ATOM 248 CB VAL A 16 -5.434 -0.349 -4.872 1.00 0.00 C ATOM 249 CG1 VAL A 16 -6.015 -0.588 -6.265 1.00 0.00 C ATOM 250 CG2 VAL A 16 -4.257 0.624 -4.969 1.00 0.00 C ATOM 0 H VAL A 16 -6.234 2.356 -4.024 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.413 -0.375 -4.036 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.086 -1.293 -4.454 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -5.246 -1.008 -6.913 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.851 -1.284 -6.196 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -6.363 0.357 -6.681 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.488 0.201 -5.615 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -4.601 1.571 -5.386 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -3.843 0.794 -3.975 1.00 0.00 H new ATOM 260 N SER A 17 -6.045 -0.882 -1.874 1.00 0.00 N ATOM 261 CA SER A 17 -5.574 -0.970 -0.457 1.00 0.00 C ATOM 262 C SER A 17 -4.357 -1.894 -0.386 1.00 0.00 C ATOM 263 O SER A 17 -4.334 -2.946 -0.993 1.00 0.00 O ATOM 264 CB SER A 17 -6.696 -1.536 0.410 1.00 0.00 C ATOM 265 OG SER A 17 -6.186 -1.832 1.703 1.00 0.00 O ATOM 0 H SER A 17 -6.375 -1.762 -2.269 1.00 0.00 H new ATOM 0 HA SER A 17 -5.299 0.021 -0.097 1.00 0.00 H new ATOM 0 HB2 SER A 17 -7.512 -0.817 0.484 1.00 0.00 H new ATOM 0 HB3 SER A 17 -7.105 -2.437 -0.047 1.00 0.00 H new ATOM 0 HG SER A 17 -6.453 -1.127 2.329 1.00 0.00 H new ATOM 271 N VAL A 18 -3.343 -1.508 0.349 1.00 0.00 N ATOM 272 CA VAL A 18 -2.118 -2.361 0.467 1.00 0.00 C ATOM 273 C VAL A 18 -1.667 -2.417 1.925 1.00 0.00 C ATOM 274 O VAL A 18 -2.055 -1.599 2.738 1.00 0.00 O ATOM 275 CB VAL A 18 -0.994 -1.770 -0.385 1.00 0.00 C ATOM 276 CG1 VAL A 18 -1.386 -1.842 -1.859 1.00 0.00 C ATOM 277 CG2 VAL A 18 -0.761 -0.309 0.010 1.00 0.00 C ATOM 0 H VAL A 18 -3.310 -0.635 0.875 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.350 -3.367 0.118 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.078 -2.338 -0.221 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.587 -1.421 -2.469 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.549 -2.882 -2.142 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.302 -1.274 -2.020 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.041 0.109 -0.599 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.675 0.262 -0.152 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.482 -0.257 1.062 1.00 0.00 H new ATOM 287 N ILE A 19 -0.847 -3.380 2.264 1.00 0.00 N ATOM 288 CA ILE A 19 -0.362 -3.499 3.670 1.00 0.00 C ATOM 289 C ILE A 19 1.101 -3.935 3.677 1.00 0.00 C ATOM 290 O ILE A 19 1.526 -4.725 2.857 1.00 0.00 O ATOM 291 CB ILE A 19 -1.206 -4.530 4.423 1.00 0.00 C ATOM 292 CG1 ILE A 19 -0.725 -4.601 5.874 1.00 0.00 C ATOM 293 CG2 ILE A 19 -1.061 -5.905 3.766 1.00 0.00 C ATOM 294 CD1 ILE A 19 -1.728 -5.398 6.710 1.00 0.00 C ATOM 0 H ILE A 19 -0.492 -4.091 1.624 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.452 -2.530 4.161 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.255 -4.234 4.394 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.257 -5.072 5.919 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.615 -3.596 6.281 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.665 -6.633 4.308 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.400 -5.851 2.731 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.015 -6.211 3.790 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.383 -5.447 7.743 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -2.701 -4.908 6.675 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.815 -6.408 6.308 1.00 0.00 H new ATOM 306 N GLY A 20 1.876 -3.430 4.599 1.00 0.00 N ATOM 307 CA GLY A 20 3.311 -3.827 4.649 1.00 0.00 C ATOM 308 C GLY A 20 4.067 -2.903 5.601 1.00 0.00 C ATOM 309 O GLY A 20 3.476 -2.238 6.430 1.00 0.00 O ATOM 0 H GLY A 20 1.580 -2.765 5.314 1.00 0.00 H new ATOM 0 HA2 GLY A 20 3.401 -4.861 4.982 1.00 0.00 H new ATOM 0 HA3 GLY A 20 3.748 -3.774 3.652 1.00 0.00 H new ATOM 313 N LYS A 21 5.374 -2.855 5.490 1.00 0.00 N ATOM 314 CA LYS A 21 6.184 -1.975 6.389 1.00 0.00 C ATOM 315 C LYS A 21 6.794 -0.839 5.578 1.00 0.00 C ATOM 316 O LYS A 21 7.247 -1.025 4.461 1.00 0.00 O ATOM 317 CB LYS A 21 7.289 -2.803 7.047 1.00 0.00 C ATOM 318 CG LYS A 21 8.297 -3.266 5.992 1.00 0.00 C ATOM 319 CD LYS A 21 9.237 -4.311 6.605 1.00 0.00 C ATOM 320 CE LYS A 21 10.124 -3.661 7.673 1.00 0.00 C ATOM 321 NZ LYS A 21 11.251 -4.578 8.009 1.00 0.00 N ATOM 0 H LYS A 21 5.916 -3.391 4.812 1.00 0.00 H new ATOM 0 HA LYS A 21 5.544 -1.552 7.163 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.795 -2.209 7.809 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.856 -3.667 7.551 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.773 -3.691 5.135 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.872 -2.416 5.625 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.655 -5.120 7.048 1.00 0.00 H new ATOM 0 HD3 LYS A 21 9.858 -4.754 5.826 1.00 0.00 H new ATOM 0 HE2 LYS A 21 10.512 -2.709 7.309 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.538 -3.446 8.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 11.853 -4.137 8.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 10.872 -5.475 8.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 11.815 -4.762 7.155 1.00 0.00 H new ATOM 335 N ILE A 22 6.791 0.348 6.135 1.00 0.00 N ATOM 336 CA ILE A 22 7.353 1.530 5.412 1.00 0.00 C ATOM 337 C ILE A 22 8.784 1.794 5.882 1.00 0.00 C ATOM 338 O ILE A 22 9.057 1.836 7.064 1.00 0.00 O ATOM 339 CB ILE A 22 6.484 2.753 5.708 1.00 0.00 C ATOM 340 CG1 ILE A 22 5.089 2.521 5.121 1.00 0.00 C ATOM 341 CG2 ILE A 22 7.115 3.995 5.078 1.00 0.00 C ATOM 342 CD1 ILE A 22 4.139 3.624 5.587 1.00 0.00 C ATOM 0 H ILE A 22 6.421 0.549 7.064 1.00 0.00 H new ATOM 0 HA ILE A 22 7.362 1.332 4.340 1.00 0.00 H new ATOM 0 HB ILE A 22 6.408 2.904 6.785 1.00 0.00 H new ATOM 0 HG12 ILE A 22 5.140 2.509 4.032 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.711 1.547 5.433 1.00 0.00 H new ATOM 0 HG21 ILE A 22 6.494 4.866 5.290 1.00 0.00 H new ATOM 0 HG22 ILE A 22 8.110 4.149 5.495 1.00 0.00 H new ATOM 0 HG23 ILE A 22 7.191 3.857 3.999 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.148 3.453 5.166 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.077 3.615 6.675 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.513 4.592 5.253 1.00 0.00 H new ATOM 354 N THR A 23 9.703 1.969 4.959 1.00 0.00 N ATOM 355 CA THR A 23 11.128 2.229 5.343 1.00 0.00 C ATOM 356 C THR A 23 11.686 3.395 4.522 1.00 0.00 C ATOM 357 O THR A 23 11.215 3.694 3.442 1.00 0.00 O ATOM 358 CB THR A 23 11.962 0.978 5.063 1.00 0.00 C ATOM 359 OG1 THR A 23 12.000 0.744 3.663 1.00 0.00 O ATOM 360 CG2 THR A 23 11.338 -0.227 5.767 1.00 0.00 C ATOM 0 H THR A 23 9.526 1.943 3.955 1.00 0.00 H new ATOM 0 HA THR A 23 11.173 2.479 6.403 1.00 0.00 H new ATOM 0 HB THR A 23 12.975 1.126 5.437 1.00 0.00 H new ATOM 0 HG1 THR A 23 12.535 -0.056 3.479 1.00 0.00 H new ATOM 0 HG21 THR A 23 11.935 -1.116 5.565 1.00 0.00 H new ATOM 0 HG22 THR A 23 11.309 -0.046 6.841 1.00 0.00 H new ATOM 0 HG23 THR A 23 10.324 -0.379 5.397 1.00 0.00 H new ATOM 368 N GLY A 24 12.701 4.044 5.030 1.00 0.00 N ATOM 369 CA GLY A 24 13.316 5.184 4.293 1.00 0.00 C ATOM 370 C GLY A 24 12.361 6.380 4.279 1.00 0.00 C ATOM 371 O GLY A 24 11.796 6.725 3.262 1.00 0.00 O ATOM 0 H GLY A 24 13.132 3.831 5.930 1.00 0.00 H new ATOM 0 HA2 GLY A 24 14.257 5.466 4.765 1.00 0.00 H new ATOM 0 HA3 GLY A 24 13.549 4.883 3.272 1.00 0.00 H new ATOM 375 N ILE A 25 12.179 7.024 5.401 1.00 0.00 N ATOM 376 CA ILE A 25 11.266 8.202 5.439 1.00 0.00 C ATOM 377 C ILE A 25 11.999 9.424 4.888 1.00 0.00 C ATOM 378 O ILE A 25 13.095 9.742 5.303 1.00 0.00 O ATOM 379 CB ILE A 25 10.829 8.462 6.884 1.00 0.00 C ATOM 380 CG1 ILE A 25 10.292 7.160 7.494 1.00 0.00 C ATOM 381 CG2 ILE A 25 9.736 9.534 6.916 1.00 0.00 C ATOM 382 CD1 ILE A 25 9.204 6.557 6.596 1.00 0.00 C ATOM 0 H ILE A 25 12.621 6.786 6.289 1.00 0.00 H new ATOM 0 HA ILE A 25 10.384 8.006 4.830 1.00 0.00 H new ATOM 0 HB ILE A 25 11.685 8.812 7.461 1.00 0.00 H new ATOM 0 HG12 ILE A 25 11.106 6.446 7.618 1.00 0.00 H new ATOM 0 HG13 ILE A 25 9.886 7.356 8.486 1.00 0.00 H new ATOM 0 HG21 ILE A 25 9.431 9.712 7.947 1.00 0.00 H new ATOM 0 HG22 ILE A 25 10.121 10.459 6.486 1.00 0.00 H new ATOM 0 HG23 ILE A 25 8.877 9.195 6.337 1.00 0.00 H new ATOM 0 HD11 ILE A 25 8.834 5.634 7.043 1.00 0.00 H new ATOM 0 HD12 ILE A 25 8.382 7.266 6.494 1.00 0.00 H new ATOM 0 HD13 ILE A 25 9.622 6.342 5.613 1.00 0.00 H new ATOM 394 N HIS A 26 11.397 10.106 3.945 1.00 0.00 N ATOM 395 CA HIS A 26 12.038 11.314 3.339 1.00 0.00 C ATOM 396 C HIS A 26 11.051 12.475 3.378 1.00 0.00 C ATOM 397 O HIS A 26 9.905 12.339 2.996 1.00 0.00 O ATOM 398 CB HIS A 26 12.408 11.010 1.887 1.00 0.00 C ATOM 399 CG HIS A 26 13.224 12.144 1.333 1.00 0.00 C ATOM 400 ND1 HIS A 26 12.672 13.122 0.520 1.00 0.00 N ATOM 401 CD2 HIS A 26 14.549 12.471 1.469 1.00 0.00 C ATOM 402 CE1 HIS A 26 13.656 13.984 0.200 1.00 0.00 C ATOM 403 NE2 HIS A 26 14.820 13.632 0.752 1.00 0.00 N ATOM 0 H HIS A 26 10.479 9.875 3.565 1.00 0.00 H new ATOM 0 HA HIS A 26 12.936 11.578 3.898 1.00 0.00 H new ATOM 0 HB2 HIS A 26 12.973 10.079 1.831 1.00 0.00 H new ATOM 0 HB3 HIS A 26 11.506 10.871 1.291 1.00 0.00 H new ATOM 0 HD2 HIS A 26 15.272 11.912 2.045 1.00 0.00 H new ATOM 0 HE1 HIS A 26 13.520 14.853 -0.426 1.00 0.00 H new ATOM 0 HE2 HIS A 26 15.716 14.112 0.666 1.00 0.00 H new ATOM 411 N LYS A 27 11.486 13.617 3.842 1.00 0.00 N ATOM 412 CA LYS A 27 10.579 14.801 3.920 1.00 0.00 C ATOM 413 C LYS A 27 10.916 15.784 2.803 1.00 0.00 C ATOM 414 O LYS A 27 12.066 16.073 2.537 1.00 0.00 O ATOM 415 CB LYS A 27 10.768 15.482 5.275 1.00 0.00 C ATOM 416 CG LYS A 27 9.821 16.678 5.384 1.00 0.00 C ATOM 417 CD LYS A 27 9.947 17.303 6.772 1.00 0.00 C ATOM 418 CE LYS A 27 8.989 18.487 6.884 1.00 0.00 C ATOM 419 NZ LYS A 27 9.091 19.078 8.247 1.00 0.00 N ATOM 0 H LYS A 27 12.437 13.782 4.172 1.00 0.00 H new ATOM 0 HA LYS A 27 9.544 14.478 3.809 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.570 14.774 6.080 1.00 0.00 H new ATOM 0 HB3 LYS A 27 11.801 15.812 5.387 1.00 0.00 H new ATOM 0 HG2 LYS A 27 10.060 17.416 4.618 1.00 0.00 H new ATOM 0 HG3 LYS A 27 8.794 16.359 5.209 1.00 0.00 H new ATOM 0 HD2 LYS A 27 9.719 16.562 7.538 1.00 0.00 H new ATOM 0 HD3 LYS A 27 10.972 17.633 6.943 1.00 0.00 H new ATOM 0 HE2 LYS A 27 9.231 19.237 6.131 1.00 0.00 H new ATOM 0 HE3 LYS A 27 7.967 18.161 6.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 8.439 19.885 8.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.840 18.360 8.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 10.065 19.403 8.413 1.00 0.00 H new ATOM 433 N LYS A 28 9.913 16.305 2.149 1.00 0.00 N ATOM 434 CA LYS A 28 10.155 17.278 1.049 1.00 0.00 C ATOM 435 C LYS A 28 8.991 18.265 0.992 1.00 0.00 C ATOM 436 O LYS A 28 7.902 17.976 1.446 1.00 0.00 O ATOM 437 CB LYS A 28 10.256 16.532 -0.283 1.00 0.00 C ATOM 438 CG LYS A 28 10.600 17.525 -1.396 1.00 0.00 C ATOM 439 CD LYS A 28 10.835 16.770 -2.702 1.00 0.00 C ATOM 440 CE LYS A 28 11.210 17.767 -3.801 1.00 0.00 C ATOM 441 NZ LYS A 28 10.032 18.624 -4.121 1.00 0.00 N ATOM 0 H LYS A 28 8.931 16.096 2.332 1.00 0.00 H new ATOM 0 HA LYS A 28 11.086 17.815 1.232 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.021 15.758 -0.222 1.00 0.00 H new ATOM 0 HB3 LYS A 28 9.313 16.032 -0.505 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.789 18.243 -1.520 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.491 18.093 -1.128 1.00 0.00 H new ATOM 0 HD2 LYS A 28 11.631 16.036 -2.573 1.00 0.00 H new ATOM 0 HD3 LYS A 28 9.937 16.220 -2.984 1.00 0.00 H new ATOM 0 HE2 LYS A 28 12.045 18.386 -3.475 1.00 0.00 H new ATOM 0 HE3 LYS A 28 11.538 17.234 -4.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 10.196 19.118 -5.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.182 18.030 -4.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.895 19.323 -3.363 1.00 0.00 H new ATOM 455 N GLU A 29 9.215 19.429 0.437 1.00 0.00 N ATOM 456 CA GLU A 29 8.132 20.455 0.335 1.00 0.00 C ATOM 457 C GLU A 29 7.743 20.647 -1.128 1.00 0.00 C ATOM 458 O GLU A 29 8.567 20.546 -2.015 1.00 0.00 O ATOM 459 CB GLU A 29 8.641 21.772 0.914 1.00 0.00 C ATOM 460 CG GLU A 29 8.786 21.624 2.428 1.00 0.00 C ATOM 461 CD GLU A 29 9.356 22.913 3.019 1.00 0.00 C ATOM 462 OE1 GLU A 29 9.599 23.833 2.257 1.00 0.00 O ATOM 463 OE2 GLU A 29 9.536 22.957 4.225 1.00 0.00 O ATOM 0 H GLU A 29 10.112 19.716 0.046 1.00 0.00 H new ATOM 0 HA GLU A 29 7.256 20.125 0.893 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.600 22.034 0.467 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.948 22.580 0.679 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.817 21.404 2.876 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.442 20.785 2.660 1.00 0.00 H new ATOM 470 N TYR A 30 6.488 20.915 -1.391 1.00 0.00 N ATOM 471 CA TYR A 30 6.044 21.106 -2.803 1.00 0.00 C ATOM 472 C TYR A 30 4.976 22.195 -2.863 1.00 0.00 C ATOM 473 O TYR A 30 4.341 22.519 -1.877 1.00 0.00 O ATOM 474 CB TYR A 30 5.473 19.791 -3.342 1.00 0.00 C ATOM 475 CG TYR A 30 4.206 19.425 -2.597 1.00 0.00 C ATOM 476 CD1 TYR A 30 4.267 19.023 -1.256 1.00 0.00 C ATOM 477 CD2 TYR A 30 2.967 19.480 -3.252 1.00 0.00 C ATOM 478 CE1 TYR A 30 3.094 18.678 -0.572 1.00 0.00 C ATOM 479 CE2 TYR A 30 1.796 19.132 -2.569 1.00 0.00 C ATOM 480 CZ TYR A 30 1.859 18.731 -1.229 1.00 0.00 C ATOM 481 OH TYR A 30 0.702 18.388 -0.559 1.00 0.00 O ATOM 0 H TYR A 30 5.754 21.009 -0.689 1.00 0.00 H new ATOM 0 HA TYR A 30 6.896 21.406 -3.413 1.00 0.00 H new ATOM 0 HB2 TYR A 30 5.262 19.887 -4.407 1.00 0.00 H new ATOM 0 HB3 TYR A 30 6.210 18.995 -3.234 1.00 0.00 H new ATOM 0 HD1 TYR A 30 5.220 18.979 -0.749 1.00 0.00 H new ATOM 0 HD2 TYR A 30 2.916 19.791 -4.285 1.00 0.00 H new ATOM 0 HE1 TYR A 30 3.143 18.371 0.462 1.00 0.00 H new ATOM 0 HE2 TYR A 30 0.843 19.173 -3.076 1.00 0.00 H new ATOM 0 HH TYR A 30 0.495 17.445 -0.725 1.00 0.00 H new ATOM 491 N GLU A 31 4.784 22.773 -4.016 1.00 0.00 N ATOM 492 CA GLU A 31 3.771 23.854 -4.154 1.00 0.00 C ATOM 493 C GLU A 31 2.383 23.247 -4.358 1.00 0.00 C ATOM 494 O GLU A 31 2.204 22.321 -5.125 1.00 0.00 O ATOM 495 CB GLU A 31 4.129 24.721 -5.361 1.00 0.00 C ATOM 496 CG GLU A 31 3.132 25.877 -5.482 1.00 0.00 C ATOM 497 CD GLU A 31 3.532 26.779 -6.650 1.00 0.00 C ATOM 498 OE1 GLU A 31 4.652 26.649 -7.118 1.00 0.00 O ATOM 499 OE2 GLU A 31 2.714 27.586 -7.057 1.00 0.00 O ATOM 0 H GLU A 31 5.288 22.541 -4.872 1.00 0.00 H new ATOM 0 HA GLU A 31 3.763 24.461 -3.249 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.141 25.111 -5.253 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.115 24.119 -6.270 1.00 0.00 H new ATOM 0 HG2 GLU A 31 2.126 25.488 -5.638 1.00 0.00 H new ATOM 0 HG3 GLU A 31 3.112 26.452 -4.556 1.00 0.00 H new ATOM 506 N SER A 32 1.395 23.772 -3.683 1.00 0.00 N ATOM 507 CA SER A 32 0.011 23.241 -3.839 1.00 0.00 C ATOM 508 C SER A 32 -0.989 24.385 -3.659 1.00 0.00 C ATOM 509 O SER A 32 -1.059 25.002 -2.617 1.00 0.00 O ATOM 510 CB SER A 32 -0.239 22.163 -2.786 1.00 0.00 C ATOM 511 OG SER A 32 -1.441 21.472 -3.100 1.00 0.00 O ATOM 0 H SER A 32 1.488 24.548 -3.028 1.00 0.00 H new ATOM 0 HA SER A 32 -0.110 22.807 -4.832 1.00 0.00 H new ATOM 0 HB2 SER A 32 0.598 21.466 -2.756 1.00 0.00 H new ATOM 0 HB3 SER A 32 -0.313 22.614 -1.797 1.00 0.00 H new ATOM 0 HG SER A 32 -1.605 20.778 -2.428 1.00 0.00 H new ATOM 517 N ASP A 33 -1.753 24.670 -4.679 1.00 0.00 N ATOM 518 CA ASP A 33 -2.758 25.773 -4.603 1.00 0.00 C ATOM 519 C ASP A 33 -2.070 27.090 -4.228 1.00 0.00 C ATOM 520 O ASP A 33 -2.650 27.947 -3.591 1.00 0.00 O ATOM 521 CB ASP A 33 -3.841 25.427 -3.575 1.00 0.00 C ATOM 522 CG ASP A 33 -4.711 24.295 -4.127 1.00 0.00 C ATOM 523 OD1 ASP A 33 -4.609 24.020 -5.312 1.00 0.00 O ATOM 524 OD2 ASP A 33 -5.466 23.722 -3.359 1.00 0.00 O ATOM 0 H ASP A 33 -1.724 24.180 -5.573 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.227 25.891 -5.580 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.383 25.124 -2.633 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -4.453 26.304 -3.364 1.00 0.00 H new ATOM 529 N GLY A 34 -0.844 27.267 -4.642 1.00 0.00 N ATOM 530 CA GLY A 34 -0.127 28.537 -4.335 1.00 0.00 C ATOM 531 C GLY A 34 0.390 28.523 -2.895 1.00 0.00 C ATOM 532 O GLY A 34 0.788 29.542 -2.371 1.00 0.00 O ATOM 0 H GLY A 34 -0.308 26.586 -5.180 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.706 28.668 -5.026 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.797 29.384 -4.479 1.00 0.00 H new ATOM 536 N THR A 35 0.389 27.379 -2.250 1.00 0.00 N ATOM 537 CA THR A 35 0.882 27.303 -0.835 1.00 0.00 C ATOM 538 C THR A 35 1.930 26.202 -0.709 1.00 0.00 C ATOM 539 O THR A 35 2.004 25.300 -1.519 1.00 0.00 O ATOM 540 CB THR A 35 -0.289 27.000 0.100 1.00 0.00 C ATOM 541 OG1 THR A 35 -0.581 25.610 0.059 1.00 0.00 O ATOM 542 CG2 THR A 35 -1.516 27.800 -0.342 1.00 0.00 C ATOM 0 H THR A 35 0.068 26.494 -2.642 1.00 0.00 H new ATOM 0 HA THR A 35 1.330 28.258 -0.561 1.00 0.00 H new ATOM 0 HB THR A 35 -0.024 27.282 1.119 1.00 0.00 H new ATOM 0 HG1 THR A 35 -0.760 25.340 -0.866 1.00 0.00 H new ATOM 0 HG21 THR A 35 -2.351 27.584 0.325 1.00 0.00 H new ATOM 0 HG22 THR A 35 -1.288 28.865 -0.305 1.00 0.00 H new ATOM 0 HG23 THR A 35 -1.784 27.522 -1.361 1.00 0.00 H new ATOM 550 N THR A 36 2.752 26.282 0.304 1.00 0.00 N ATOM 551 CA THR A 36 3.817 25.258 0.501 1.00 0.00 C ATOM 552 C THR A 36 3.323 24.177 1.459 1.00 0.00 C ATOM 553 O THR A 36 2.928 24.457 2.574 1.00 0.00 O ATOM 554 CB THR A 36 5.046 25.939 1.099 1.00 0.00 C ATOM 555 OG1 THR A 36 5.556 26.884 0.171 1.00 0.00 O ATOM 556 CG2 THR A 36 6.118 24.893 1.406 1.00 0.00 C ATOM 0 H THR A 36 2.730 27.019 1.008 1.00 0.00 H new ATOM 0 HA THR A 36 4.069 24.800 -0.456 1.00 0.00 H new ATOM 0 HB THR A 36 4.767 26.446 2.022 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.344 27.324 0.552 1.00 0.00 H new ATOM 0 HG21 THR A 36 6.993 25.383 1.832 1.00 0.00 H new ATOM 0 HG22 THR A 36 5.725 24.168 2.118 1.00 0.00 H new ATOM 0 HG23 THR A 36 6.401 24.381 0.486 1.00 0.00 H new ATOM 564 N LYS A 37 3.347 22.940 1.031 1.00 0.00 N ATOM 565 CA LYS A 37 2.882 21.819 1.903 1.00 0.00 C ATOM 566 C LYS A 37 3.970 20.752 1.971 1.00 0.00 C ATOM 567 O LYS A 37 4.650 20.476 1.003 1.00 0.00 O ATOM 568 CB LYS A 37 1.607 21.222 1.303 1.00 0.00 C ATOM 569 CG LYS A 37 0.487 22.276 1.291 1.00 0.00 C ATOM 570 CD LYS A 37 -0.143 22.406 2.685 1.00 0.00 C ATOM 571 CE LYS A 37 -1.333 23.364 2.617 1.00 0.00 C ATOM 572 NZ LYS A 37 -0.842 24.744 2.340 1.00 0.00 N ATOM 0 H LYS A 37 3.672 22.657 0.107 1.00 0.00 H new ATOM 0 HA LYS A 37 2.675 22.186 2.908 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.801 20.874 0.288 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.294 20.354 1.883 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.889 23.239 0.976 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.276 21.996 0.565 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.469 21.429 3.042 1.00 0.00 H new ATOM 0 HD3 LYS A 37 0.595 22.775 3.397 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.024 23.048 1.835 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -1.884 23.344 3.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -1.487 25.435 2.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.110 24.861 2.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -0.806 24.900 1.312 1.00 0.00 H new ATOM 586 N SER A 38 4.145 20.163 3.118 1.00 0.00 N ATOM 587 CA SER A 38 5.192 19.121 3.274 1.00 0.00 C ATOM 588 C SER A 38 4.644 17.766 2.831 1.00 0.00 C ATOM 589 O SER A 38 3.477 17.472 3.005 1.00 0.00 O ATOM 590 CB SER A 38 5.608 19.054 4.741 1.00 0.00 C ATOM 591 OG SER A 38 6.465 20.151 5.030 1.00 0.00 O ATOM 0 H SER A 38 3.604 20.360 3.960 1.00 0.00 H new ATOM 0 HA SER A 38 6.055 19.371 2.657 1.00 0.00 H new ATOM 0 HB2 SER A 38 4.728 19.084 5.384 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.119 18.113 4.945 1.00 0.00 H new ATOM 0 HG SER A 38 6.735 20.116 5.971 1.00 0.00 H new ATOM 597 N VAL A 39 5.483 16.933 2.271 1.00 0.00 N ATOM 598 CA VAL A 39 5.029 15.581 1.825 1.00 0.00 C ATOM 599 C VAL A 39 6.037 14.534 2.293 1.00 0.00 C ATOM 600 O VAL A 39 7.235 14.729 2.215 1.00 0.00 O ATOM 601 CB VAL A 39 4.909 15.558 0.295 1.00 0.00 C ATOM 602 CG1 VAL A 39 6.301 15.549 -0.349 1.00 0.00 C ATOM 603 CG2 VAL A 39 4.144 14.303 -0.130 1.00 0.00 C ATOM 0 H VAL A 39 6.469 17.132 2.102 1.00 0.00 H new ATOM 0 HA VAL A 39 4.054 15.356 2.256 1.00 0.00 H new ATOM 0 HB VAL A 39 4.375 16.450 -0.034 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.200 15.533 -1.434 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.847 16.444 -0.049 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.847 14.664 -0.022 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.056 14.281 -1.216 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.682 13.417 0.208 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.149 14.315 0.315 1.00 0.00 H new ATOM 613 N TYR A 40 5.557 13.421 2.781 1.00 0.00 N ATOM 614 CA TYR A 40 6.470 12.345 3.260 1.00 0.00 C ATOM 615 C TYR A 40 6.533 11.244 2.205 1.00 0.00 C ATOM 616 O TYR A 40 5.520 10.799 1.705 1.00 0.00 O ATOM 617 CB TYR A 40 5.923 11.774 4.567 1.00 0.00 C ATOM 618 CG TYR A 40 5.973 12.841 5.633 1.00 0.00 C ATOM 619 CD1 TYR A 40 4.900 13.726 5.791 1.00 0.00 C ATOM 620 CD2 TYR A 40 7.096 12.948 6.460 1.00 0.00 C ATOM 621 CE1 TYR A 40 4.951 14.719 6.777 1.00 0.00 C ATOM 622 CE2 TYR A 40 7.147 13.940 7.446 1.00 0.00 C ATOM 623 CZ TYR A 40 6.074 14.825 7.606 1.00 0.00 C ATOM 624 OH TYR A 40 6.125 15.802 8.578 1.00 0.00 O ATOM 0 H TYR A 40 4.563 13.211 2.868 1.00 0.00 H new ATOM 0 HA TYR A 40 7.469 12.746 3.429 1.00 0.00 H new ATOM 0 HB2 TYR A 40 4.898 11.430 4.427 1.00 0.00 H new ATOM 0 HB3 TYR A 40 6.510 10.909 4.874 1.00 0.00 H new ATOM 0 HD1 TYR A 40 4.033 13.643 5.153 1.00 0.00 H new ATOM 0 HD2 TYR A 40 7.924 12.265 6.338 1.00 0.00 H new ATOM 0 HE1 TYR A 40 4.124 15.403 6.898 1.00 0.00 H new ATOM 0 HE2 TYR A 40 8.015 14.023 8.084 1.00 0.00 H new ATOM 0 HH TYR A 40 6.973 15.735 9.065 1.00 0.00 H new ATOM 634 N GLN A 41 7.718 10.808 1.859 1.00 0.00 N ATOM 635 CA GLN A 41 7.868 9.739 0.824 1.00 0.00 C ATOM 636 C GLN A 41 8.723 8.608 1.376 1.00 0.00 C ATOM 637 O GLN A 41 9.524 8.800 2.268 1.00 0.00 O ATOM 638 CB GLN A 41 8.547 10.325 -0.411 1.00 0.00 C ATOM 639 CG GLN A 41 7.587 11.290 -1.105 1.00 0.00 C ATOM 640 CD GLN A 41 8.263 11.885 -2.339 1.00 0.00 C ATOM 641 OE1 GLN A 41 9.365 11.508 -2.684 1.00 0.00 O ATOM 642 NE2 GLN A 41 7.644 12.805 -3.026 1.00 0.00 N ATOM 0 H GLN A 41 8.595 11.149 2.252 1.00 0.00 H new ATOM 0 HA GLN A 41 6.884 9.353 0.557 1.00 0.00 H new ATOM 0 HB2 GLN A 41 9.461 10.846 -0.125 1.00 0.00 H new ATOM 0 HB3 GLN A 41 8.836 9.527 -1.095 1.00 0.00 H new ATOM 0 HG2 GLN A 41 6.675 10.767 -1.394 1.00 0.00 H new ATOM 0 HG3 GLN A 41 7.295 12.085 -0.419 1.00 0.00 H new ATOM 0 HE21 GLN A 41 6.719 13.122 -2.736 1.00 0.00 H new ATOM 0 HE22 GLN A 41 8.085 13.208 -3.853 1.00 0.00 H new ATOM 651 N GLY A 42 8.556 7.426 0.854 1.00 0.00 N ATOM 652 CA GLY A 42 9.366 6.286 1.357 1.00 0.00 C ATOM 653 C GLY A 42 9.057 5.034 0.542 1.00 0.00 C ATOM 654 O GLY A 42 8.449 5.102 -0.508 1.00 0.00 O ATOM 0 H GLY A 42 7.899 7.202 0.107 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.428 6.524 1.288 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.147 6.109 2.410 1.00 0.00 H new ATOM 658 N TYR A 43 9.481 3.890 1.018 1.00 0.00 N ATOM 659 CA TYR A 43 9.230 2.612 0.285 1.00 0.00 C ATOM 660 C TYR A 43 8.401 1.677 1.160 1.00 0.00 C ATOM 661 O TYR A 43 8.621 1.577 2.351 1.00 0.00 O ATOM 662 CB TYR A 43 10.573 1.952 -0.027 1.00 0.00 C ATOM 663 CG TYR A 43 11.349 2.833 -0.974 1.00 0.00 C ATOM 664 CD1 TYR A 43 12.101 3.904 -0.478 1.00 0.00 C ATOM 665 CD2 TYR A 43 11.318 2.576 -2.349 1.00 0.00 C ATOM 666 CE1 TYR A 43 12.822 4.720 -1.357 1.00 0.00 C ATOM 667 CE2 TYR A 43 12.038 3.391 -3.230 1.00 0.00 C ATOM 668 CZ TYR A 43 12.790 4.463 -2.734 1.00 0.00 C ATOM 669 OH TYR A 43 13.500 5.267 -3.602 1.00 0.00 O ATOM 0 H TYR A 43 9.996 3.787 1.892 1.00 0.00 H new ATOM 0 HA TYR A 43 8.689 2.816 -0.639 1.00 0.00 H new ATOM 0 HB2 TYR A 43 11.139 1.798 0.892 1.00 0.00 H new ATOM 0 HB3 TYR A 43 10.415 0.970 -0.472 1.00 0.00 H new ATOM 0 HD1 TYR A 43 12.125 4.101 0.584 1.00 0.00 H new ATOM 0 HD2 TYR A 43 10.738 1.749 -2.731 1.00 0.00 H new ATOM 0 HE1 TYR A 43 13.402 5.547 -0.975 1.00 0.00 H new ATOM 0 HE2 TYR A 43 12.014 3.193 -4.291 1.00 0.00 H new ATOM 0 HH TYR A 43 13.371 4.951 -4.521 1.00 0.00 H new ATOM 679 N ILE A 44 7.458 0.981 0.574 1.00 0.00 N ATOM 680 CA ILE A 44 6.607 0.032 1.358 1.00 0.00 C ATOM 681 C ILE A 44 6.741 -1.350 0.730 1.00 0.00 C ATOM 682 O ILE A 44 6.671 -1.492 -0.475 1.00 0.00 O ATOM 683 CB ILE A 44 5.147 0.489 1.306 1.00 0.00 C ATOM 684 CG1 ILE A 44 4.313 -0.383 2.246 1.00 0.00 C ATOM 685 CG2 ILE A 44 4.606 0.365 -0.121 1.00 0.00 C ATOM 686 CD1 ILE A 44 2.914 0.217 2.390 1.00 0.00 C ATOM 0 H ILE A 44 7.240 1.030 -0.421 1.00 0.00 H new ATOM 0 HA ILE A 44 6.926 0.004 2.400 1.00 0.00 H new ATOM 0 HB ILE A 44 5.086 1.532 1.617 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.247 -1.398 1.855 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.795 -0.449 3.222 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.567 0.693 -0.146 1.00 0.00 H new ATOM 0 HG22 ILE A 44 5.199 0.988 -0.790 1.00 0.00 H new ATOM 0 HG23 ILE A 44 4.666 -0.674 -0.444 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.319 -0.404 3.060 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.990 1.224 2.801 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.434 0.259 1.412 1.00 0.00 H new ATOM 698 N GLU A 45 6.957 -2.374 1.527 1.00 0.00 N ATOM 699 CA GLU A 45 7.126 -3.752 0.950 1.00 0.00 C ATOM 700 C GLU A 45 6.277 -4.776 1.708 1.00 0.00 C ATOM 701 O GLU A 45 5.924 -4.591 2.856 1.00 0.00 O ATOM 702 CB GLU A 45 8.603 -4.153 1.038 1.00 0.00 C ATOM 703 CG GLU A 45 9.060 -4.138 2.498 1.00 0.00 C ATOM 704 CD GLU A 45 10.552 -4.469 2.566 1.00 0.00 C ATOM 705 OE1 GLU A 45 11.279 -4.018 1.696 1.00 0.00 O ATOM 706 OE2 GLU A 45 10.942 -5.169 3.486 1.00 0.00 O ATOM 0 H GLU A 45 7.023 -2.317 2.543 1.00 0.00 H new ATOM 0 HA GLU A 45 6.797 -3.737 -0.089 1.00 0.00 H new ATOM 0 HB2 GLU A 45 8.745 -5.147 0.614 1.00 0.00 H new ATOM 0 HB3 GLU A 45 9.211 -3.465 0.450 1.00 0.00 H new ATOM 0 HG2 GLU A 45 8.873 -3.159 2.939 1.00 0.00 H new ATOM 0 HG3 GLU A 45 8.488 -4.863 3.077 1.00 0.00 H new ATOM 713 N ASP A 46 5.955 -5.867 1.055 1.00 0.00 N ATOM 714 CA ASP A 46 5.136 -6.936 1.701 1.00 0.00 C ATOM 715 C ASP A 46 5.629 -8.302 1.217 1.00 0.00 C ATOM 716 O ASP A 46 6.808 -8.506 0.996 1.00 0.00 O ATOM 717 CB ASP A 46 3.661 -6.767 1.318 1.00 0.00 C ATOM 718 CG ASP A 46 3.495 -6.943 -0.193 1.00 0.00 C ATOM 719 OD1 ASP A 46 4.503 -7.062 -0.871 1.00 0.00 O ATOM 720 OD2 ASP A 46 2.362 -6.961 -0.647 1.00 0.00 O ATOM 0 H ASP A 46 6.229 -6.062 0.092 1.00 0.00 H new ATOM 0 HA ASP A 46 5.235 -6.864 2.784 1.00 0.00 H new ATOM 0 HB2 ASP A 46 3.052 -7.499 1.848 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.308 -5.781 1.620 1.00 0.00 H new ATOM 725 N ASP A 47 4.735 -9.239 1.045 1.00 0.00 N ATOM 726 CA ASP A 47 5.141 -10.593 0.569 1.00 0.00 C ATOM 727 C ASP A 47 5.137 -10.609 -0.963 1.00 0.00 C ATOM 728 O ASP A 47 5.456 -11.602 -1.584 1.00 0.00 O ATOM 729 CB ASP A 47 4.151 -11.631 1.101 1.00 0.00 C ATOM 730 CG ASP A 47 2.727 -11.216 0.724 1.00 0.00 C ATOM 731 OD1 ASP A 47 2.535 -10.054 0.410 1.00 0.00 O ATOM 732 OD2 ASP A 47 1.854 -12.067 0.757 1.00 0.00 O ATOM 0 H ASP A 47 3.736 -9.124 1.215 1.00 0.00 H new ATOM 0 HA ASP A 47 6.142 -10.831 0.930 1.00 0.00 H new ATOM 0 HB2 ASP A 47 4.378 -12.613 0.685 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.242 -11.715 2.184 1.00 0.00 H new ATOM 737 N THR A 48 4.772 -9.509 -1.572 1.00 0.00 N ATOM 738 CA THR A 48 4.737 -9.438 -3.065 1.00 0.00 C ATOM 739 C THR A 48 5.982 -8.707 -3.574 1.00 0.00 C ATOM 740 O THR A 48 6.855 -9.295 -4.180 1.00 0.00 O ATOM 741 CB THR A 48 3.496 -8.657 -3.498 1.00 0.00 C ATOM 742 OG1 THR A 48 3.664 -7.290 -3.155 1.00 0.00 O ATOM 743 CG2 THR A 48 2.263 -9.209 -2.787 1.00 0.00 C ATOM 0 H THR A 48 4.495 -8.651 -1.095 1.00 0.00 H new ATOM 0 HA THR A 48 4.710 -10.447 -3.476 1.00 0.00 H new ATOM 0 HB THR A 48 3.363 -8.756 -4.575 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.871 -6.974 -2.674 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.382 -8.649 -3.099 1.00 0.00 H new ATOM 0 HG22 THR A 48 2.135 -10.260 -3.044 1.00 0.00 H new ATOM 0 HG23 THR A 48 2.391 -9.113 -1.709 1.00 0.00 H new ATOM 751 N ALA A 49 6.066 -7.426 -3.338 1.00 0.00 N ATOM 752 CA ALA A 49 7.248 -6.656 -3.814 1.00 0.00 C ATOM 753 C ALA A 49 7.329 -5.322 -3.073 1.00 0.00 C ATOM 754 O ALA A 49 6.944 -5.217 -1.925 1.00 0.00 O ATOM 755 CB ALA A 49 7.113 -6.386 -5.314 1.00 0.00 C ATOM 0 H ALA A 49 5.366 -6.880 -2.836 1.00 0.00 H new ATOM 0 HA ALA A 49 8.151 -7.236 -3.623 1.00 0.00 H new ATOM 0 HB1 ALA A 49 7.979 -5.822 -5.662 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.057 -7.333 -5.851 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.206 -5.810 -5.500 1.00 0.00 H new ATOM 761 N ARG A 50 7.832 -4.299 -3.724 1.00 0.00 N ATOM 762 CA ARG A 50 7.946 -2.960 -3.064 1.00 0.00 C ATOM 763 C ARG A 50 7.532 -1.860 -4.043 1.00 0.00 C ATOM 764 O ARG A 50 7.632 -2.013 -5.243 1.00 0.00 O ATOM 765 CB ARG A 50 9.396 -2.739 -2.617 1.00 0.00 C ATOM 766 CG ARG A 50 10.329 -2.764 -3.833 1.00 0.00 C ATOM 767 CD ARG A 50 11.782 -2.622 -3.366 1.00 0.00 C ATOM 768 NE ARG A 50 11.988 -1.267 -2.778 1.00 0.00 N ATOM 769 CZ ARG A 50 13.147 -0.938 -2.269 1.00 0.00 C ATOM 770 NH1 ARG A 50 14.137 -1.787 -2.289 1.00 0.00 N ATOM 771 NH2 ARG A 50 13.314 0.246 -1.743 1.00 0.00 N ATOM 0 H ARG A 50 8.169 -4.335 -4.686 1.00 0.00 H new ATOM 0 HA ARG A 50 7.288 -2.926 -2.196 1.00 0.00 H new ATOM 0 HB2 ARG A 50 9.484 -1.783 -2.100 1.00 0.00 H new ATOM 0 HB3 ARG A 50 9.689 -3.513 -1.908 1.00 0.00 H new ATOM 0 HG2 ARG A 50 10.202 -3.697 -4.383 1.00 0.00 H new ATOM 0 HG3 ARG A 50 10.075 -1.954 -4.516 1.00 0.00 H new ATOM 0 HD2 ARG A 50 12.014 -3.389 -2.627 1.00 0.00 H new ATOM 0 HD3 ARG A 50 12.461 -2.772 -4.205 1.00 0.00 H new ATOM 0 HE ARG A 50 11.222 -0.594 -2.773 1.00 0.00 H new ATOM 0 HH11 ARG A 50 14.009 -2.711 -2.702 1.00 0.00 H new ATOM 0 HH12 ARG A 50 15.040 -1.527 -1.891 1.00 0.00 H new ATOM 0 HH21 ARG A 50 12.541 0.912 -1.730 1.00 0.00 H new ATOM 0 HH22 ARG A 50 14.217 0.505 -1.345 1.00 0.00 H new ATOM 785 N ILE A 51 7.064 -0.745 -3.538 1.00 0.00 N ATOM 786 CA ILE A 51 6.647 0.366 -4.443 1.00 0.00 C ATOM 787 C ILE A 51 6.802 1.711 -3.727 1.00 0.00 C ATOM 788 O ILE A 51 6.783 1.792 -2.514 1.00 0.00 O ATOM 789 CB ILE A 51 5.194 0.170 -4.867 1.00 0.00 C ATOM 790 CG1 ILE A 51 4.812 1.277 -5.845 1.00 0.00 C ATOM 791 CG2 ILE A 51 4.284 0.235 -3.640 1.00 0.00 C ATOM 792 CD1 ILE A 51 3.471 0.944 -6.497 1.00 0.00 C ATOM 0 H ILE A 51 6.954 -0.558 -2.541 1.00 0.00 H new ATOM 0 HA ILE A 51 7.283 0.360 -5.329 1.00 0.00 H new ATOM 0 HB ILE A 51 5.078 -0.803 -5.344 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.747 2.231 -5.322 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.583 1.384 -6.608 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.248 0.095 -3.948 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.564 -0.550 -2.938 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.391 1.207 -3.159 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.199 1.736 -7.195 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.552 -0.001 -7.034 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.703 0.860 -5.728 1.00 0.00 H new ATOM 804 N ARG A 52 6.973 2.766 -4.477 1.00 0.00 N ATOM 805 CA ARG A 52 7.154 4.111 -3.861 1.00 0.00 C ATOM 806 C ARG A 52 5.814 4.649 -3.354 1.00 0.00 C ATOM 807 O ARG A 52 4.781 4.457 -3.966 1.00 0.00 O ATOM 808 CB ARG A 52 7.725 5.072 -4.910 1.00 0.00 C ATOM 809 CG ARG A 52 9.232 4.822 -5.092 1.00 0.00 C ATOM 810 CD ARG A 52 9.471 3.468 -5.775 1.00 0.00 C ATOM 811 NE ARG A 52 8.586 3.353 -6.967 1.00 0.00 N ATOM 812 CZ ARG A 52 8.444 2.209 -7.580 1.00 0.00 C ATOM 813 NH1 ARG A 52 9.118 1.164 -7.187 1.00 0.00 N ATOM 814 NH2 ARG A 52 7.629 2.118 -8.595 1.00 0.00 N ATOM 0 H ARG A 52 6.995 2.753 -5.497 1.00 0.00 H new ATOM 0 HA ARG A 52 7.841 4.027 -3.019 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.208 4.934 -5.860 1.00 0.00 H new ATOM 0 HB3 ARG A 52 7.554 6.103 -4.601 1.00 0.00 H new ATOM 0 HG2 ARG A 52 9.670 5.621 -5.691 1.00 0.00 H new ATOM 0 HG3 ARG A 52 9.730 4.840 -4.123 1.00 0.00 H new ATOM 0 HD2 ARG A 52 10.515 3.378 -6.074 1.00 0.00 H new ATOM 0 HD3 ARG A 52 9.268 2.655 -5.078 1.00 0.00 H new ATOM 0 HE ARG A 52 8.087 4.175 -7.307 1.00 0.00 H new ATOM 0 HH11 ARG A 52 9.760 1.238 -6.397 1.00 0.00 H new ATOM 0 HH12 ARG A 52 9.004 0.272 -7.669 1.00 0.00 H new ATOM 0 HH21 ARG A 52 7.107 2.938 -8.905 1.00 0.00 H new ATOM 0 HH22 ARG A 52 7.514 1.227 -9.078 1.00 0.00 H new ATOM 828 N ILE A 53 5.837 5.339 -2.241 1.00 0.00 N ATOM 829 CA ILE A 53 4.586 5.918 -1.670 1.00 0.00 C ATOM 830 C ILE A 53 4.825 7.378 -1.290 1.00 0.00 C ATOM 831 O ILE A 53 5.939 7.781 -0.999 1.00 0.00 O ATOM 832 CB ILE A 53 4.178 5.117 -0.430 1.00 0.00 C ATOM 833 CG1 ILE A 53 5.324 5.122 0.596 1.00 0.00 C ATOM 834 CG2 ILE A 53 3.867 3.673 -0.841 1.00 0.00 C ATOM 835 CD1 ILE A 53 4.838 4.520 1.918 1.00 0.00 C ATOM 0 H ILE A 53 6.680 5.527 -1.699 1.00 0.00 H new ATOM 0 HA ILE A 53 3.788 5.869 -2.411 1.00 0.00 H new ATOM 0 HB ILE A 53 3.294 5.571 0.019 1.00 0.00 H new ATOM 0 HG12 ILE A 53 6.169 4.550 0.214 1.00 0.00 H new ATOM 0 HG13 ILE A 53 5.676 6.141 0.757 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.576 3.099 0.039 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.051 3.668 -1.564 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.753 3.224 -1.291 1.00 0.00 H new ATOM 0 HD11 ILE A 53 5.653 4.526 2.642 1.00 0.00 H new ATOM 0 HD12 ILE A 53 4.007 5.111 2.303 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.508 3.495 1.751 1.00 0.00 H new ATOM 847 N SER A 54 3.784 8.169 -1.278 1.00 0.00 N ATOM 848 CA SER A 54 3.931 9.605 -0.908 1.00 0.00 C ATOM 849 C SER A 54 2.699 10.045 -0.123 1.00 0.00 C ATOM 850 O SER A 54 1.586 9.958 -0.604 1.00 0.00 O ATOM 851 CB SER A 54 4.062 10.443 -2.179 1.00 0.00 C ATOM 852 OG SER A 54 2.871 10.326 -2.944 1.00 0.00 O ATOM 0 H SER A 54 2.834 7.879 -1.510 1.00 0.00 H new ATOM 0 HA SER A 54 4.821 9.743 -0.294 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.242 11.487 -1.923 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.918 10.106 -2.764 1.00 0.00 H new ATOM 0 HG SER A 54 2.098 10.295 -2.343 1.00 0.00 H new ATOM 858 N SER A 55 2.890 10.512 1.088 1.00 0.00 N ATOM 859 CA SER A 55 1.736 10.958 1.928 1.00 0.00 C ATOM 860 C SER A 55 1.820 12.468 2.146 1.00 0.00 C ATOM 861 O SER A 55 2.883 13.019 2.352 1.00 0.00 O ATOM 862 CB SER A 55 1.790 10.230 3.271 1.00 0.00 C ATOM 863 OG SER A 55 2.555 10.993 4.192 1.00 0.00 O ATOM 0 H SER A 55 3.803 10.603 1.533 1.00 0.00 H new ATOM 0 HA SER A 55 0.796 10.725 1.427 1.00 0.00 H new ATOM 0 HB2 SER A 55 0.781 10.080 3.656 1.00 0.00 H new ATOM 0 HB3 SER A 55 2.233 9.242 3.144 1.00 0.00 H new ATOM 0 HG SER A 55 2.180 10.892 5.092 1.00 0.00 H new ATOM 869 N PHE A 56 0.704 13.145 2.077 1.00 0.00 N ATOM 870 CA PHE A 56 0.707 14.630 2.250 1.00 0.00 C ATOM 871 C PHE A 56 0.377 15.024 3.695 1.00 0.00 C ATOM 872 O PHE A 56 -0.675 14.711 4.212 1.00 0.00 O ATOM 873 CB PHE A 56 -0.331 15.231 1.306 1.00 0.00 C ATOM 874 CG PHE A 56 0.134 15.039 -0.120 1.00 0.00 C ATOM 875 CD1 PHE A 56 1.257 15.734 -0.583 1.00 0.00 C ATOM 876 CD2 PHE A 56 -0.551 14.168 -0.977 1.00 0.00 C ATOM 877 CE1 PHE A 56 1.697 15.561 -1.900 1.00 0.00 C ATOM 878 CE2 PHE A 56 -0.110 13.994 -2.297 1.00 0.00 C ATOM 879 CZ PHE A 56 1.014 14.691 -2.756 1.00 0.00 C ATOM 0 H PHE A 56 -0.214 12.733 1.908 1.00 0.00 H new ATOM 0 HA PHE A 56 1.702 15.010 2.019 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -1.298 14.751 1.455 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -0.465 16.292 1.519 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.785 16.405 0.078 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -1.418 13.631 -0.622 1.00 0.00 H new ATOM 0 HE1 PHE A 56 2.563 16.099 -2.255 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -0.637 13.323 -2.959 1.00 0.00 H new ATOM 0 HZ PHE A 56 1.354 14.557 -3.772 1.00 0.00 H new ATOM 889 N GLY A 57 1.271 15.733 4.338 1.00 0.00 N ATOM 890 CA GLY A 57 1.021 16.179 5.740 1.00 0.00 C ATOM 891 C GLY A 57 1.029 14.982 6.694 1.00 0.00 C ATOM 892 O GLY A 57 1.396 15.102 7.845 1.00 0.00 O ATOM 0 H GLY A 57 2.168 16.023 3.948 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.784 16.896 6.041 1.00 0.00 H new ATOM 0 HA3 GLY A 57 0.061 16.692 5.799 1.00 0.00 H new ATOM 896 N LYS A 58 0.620 13.834 6.238 1.00 0.00 N ATOM 897 CA LYS A 58 0.597 12.649 7.137 1.00 0.00 C ATOM 898 C LYS A 58 2.023 12.159 7.396 1.00 0.00 C ATOM 899 O LYS A 58 2.832 12.053 6.495 1.00 0.00 O ATOM 900 CB LYS A 58 -0.220 11.544 6.476 1.00 0.00 C ATOM 901 CG LYS A 58 -1.678 11.996 6.367 1.00 0.00 C ATOM 902 CD LYS A 58 -2.507 10.906 5.688 1.00 0.00 C ATOM 903 CE LYS A 58 -3.939 11.405 5.483 1.00 0.00 C ATOM 904 NZ LYS A 58 -4.552 11.721 6.805 1.00 0.00 N ATOM 0 H LYS A 58 0.301 13.664 5.284 1.00 0.00 H new ATOM 0 HA LYS A 58 0.145 12.922 8.091 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.180 11.321 5.487 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.154 10.626 7.060 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.079 12.206 7.359 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.740 12.922 5.796 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.062 10.641 4.729 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.509 10.003 6.299 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -3.939 12.292 4.850 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -4.529 10.646 4.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -5.584 11.796 6.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -4.327 10.964 7.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -4.173 12.624 7.156 1.00 0.00 H new ATOM 918 N GLN A 59 2.336 11.862 8.630 1.00 0.00 N ATOM 919 CA GLN A 59 3.706 11.383 8.969 1.00 0.00 C ATOM 920 C GLN A 59 3.776 9.860 8.825 1.00 0.00 C ATOM 921 O GLN A 59 2.779 9.173 8.916 1.00 0.00 O ATOM 922 CB GLN A 59 4.038 11.772 10.408 1.00 0.00 C ATOM 923 CG GLN A 59 5.456 11.308 10.739 1.00 0.00 C ATOM 924 CD GLN A 59 5.881 11.875 12.094 1.00 0.00 C ATOM 925 OE1 GLN A 59 5.290 12.817 12.584 1.00 0.00 O ATOM 926 NE2 GLN A 59 6.888 11.336 12.723 1.00 0.00 N ATOM 0 H GLN A 59 1.696 11.932 9.422 1.00 0.00 H new ATOM 0 HA GLN A 59 4.424 11.841 8.289 1.00 0.00 H new ATOM 0 HB2 GLN A 59 3.957 12.852 10.533 1.00 0.00 H new ATOM 0 HB3 GLN A 59 3.324 11.317 11.094 1.00 0.00 H new ATOM 0 HG2 GLN A 59 5.497 10.219 10.761 1.00 0.00 H new ATOM 0 HG3 GLN A 59 6.147 11.637 9.963 1.00 0.00 H new ATOM 0 HE21 GLN A 59 7.383 10.545 12.310 1.00 0.00 H new ATOM 0 HE22 GLN A 59 7.181 11.705 13.628 1.00 0.00 H new ATOM 935 N LEU A 60 4.955 9.334 8.596 1.00 0.00 N ATOM 936 CA LEU A 60 5.124 7.856 8.438 1.00 0.00 C ATOM 937 C LEU A 60 6.219 7.370 9.384 1.00 0.00 C ATOM 938 O LEU A 60 7.114 8.113 9.739 1.00 0.00 O ATOM 939 CB LEU A 60 5.526 7.556 6.995 1.00 0.00 C ATOM 940 CG LEU A 60 4.425 8.033 6.040 1.00 0.00 C ATOM 941 CD1 LEU A 60 4.893 7.829 4.596 1.00 0.00 C ATOM 942 CD2 LEU A 60 3.128 7.237 6.282 1.00 0.00 C ATOM 0 H LEU A 60 5.817 9.873 8.511 1.00 0.00 H new ATOM 0 HA LEU A 60 4.190 7.346 8.674 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.466 8.054 6.759 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.691 6.486 6.869 1.00 0.00 H new ATOM 0 HG LEU A 60 4.225 9.089 6.219 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.115 8.166 3.910 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.803 8.404 4.424 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.094 6.772 4.425 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.354 7.585 5.598 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.314 6.177 6.110 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.797 7.385 7.310 1.00 0.00 H new ATOM 954 N GLN A 61 6.149 6.128 9.803 1.00 0.00 N ATOM 955 CA GLN A 61 7.175 5.574 10.743 1.00 0.00 C ATOM 956 C GLN A 61 7.981 4.470 10.053 1.00 0.00 C ATOM 957 O GLN A 61 7.448 3.590 9.408 1.00 0.00 O ATOM 958 CB GLN A 61 6.468 5.022 11.978 1.00 0.00 C ATOM 959 CG GLN A 61 5.957 6.191 12.822 1.00 0.00 C ATOM 960 CD GLN A 61 5.189 5.657 14.029 1.00 0.00 C ATOM 961 OE1 GLN A 61 5.370 6.211 15.197 1.00 0.00 O flip ATOM 962 NE2 GLN A 61 4.413 4.731 13.909 1.00 0.00 N flip ATOM 0 H GLN A 61 5.419 5.470 9.531 1.00 0.00 H new ATOM 0 HA GLN A 61 7.864 6.364 11.041 1.00 0.00 H new ATOM 0 HB2 GLN A 61 5.638 4.380 11.682 1.00 0.00 H new ATOM 0 HB3 GLN A 61 7.154 4.408 12.561 1.00 0.00 H new ATOM 0 HG2 GLN A 61 6.794 6.806 13.154 1.00 0.00 H new ATOM 0 HG3 GLN A 61 5.310 6.831 12.221 1.00 0.00 H new ATOM 0 HE21 GLN A 61 4.272 4.299 12.996 1.00 0.00 H new ATOM 0 HE22 GLN A 61 3.902 4.385 14.721 1.00 0.00 H new ATOM 971 N ASP A 62 9.276 4.542 10.177 1.00 0.00 N ATOM 972 CA ASP A 62 10.169 3.542 9.527 1.00 0.00 C ATOM 973 C ASP A 62 9.966 2.138 10.112 1.00 0.00 C ATOM 974 O ASP A 62 9.836 1.954 11.307 1.00 0.00 O ATOM 975 CB ASP A 62 11.617 3.980 9.742 1.00 0.00 C ATOM 976 CG ASP A 62 12.567 3.007 9.044 1.00 0.00 C ATOM 977 OD1 ASP A 62 12.096 1.996 8.551 1.00 0.00 O ATOM 978 OD2 ASP A 62 13.752 3.292 9.012 1.00 0.00 O ATOM 0 H ASP A 62 9.762 5.263 10.710 1.00 0.00 H new ATOM 0 HA ASP A 62 9.930 3.494 8.465 1.00 0.00 H new ATOM 0 HB2 ASP A 62 11.763 4.987 9.351 1.00 0.00 H new ATOM 0 HB3 ASP A 62 11.840 4.017 10.808 1.00 0.00 H new ATOM 983 N SER A 63 9.967 1.143 9.261 1.00 0.00 N ATOM 984 CA SER A 63 9.805 -0.267 9.719 1.00 0.00 C ATOM 985 C SER A 63 8.448 -0.452 10.401 1.00 0.00 C ATOM 986 O SER A 63 8.151 -1.503 10.933 1.00 0.00 O ATOM 987 CB SER A 63 10.933 -0.623 10.692 1.00 0.00 C ATOM 988 OG SER A 63 12.148 -0.042 10.232 1.00 0.00 O ATOM 0 H SER A 63 10.075 1.252 8.253 1.00 0.00 H new ATOM 0 HA SER A 63 9.852 -0.929 8.854 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.696 -0.257 11.691 1.00 0.00 H new ATOM 0 HB3 SER A 63 11.038 -1.705 10.765 1.00 0.00 H new ATOM 0 HG SER A 63 11.974 0.484 9.424 1.00 0.00 H new ATOM 994 N ASP A 64 7.619 0.551 10.389 1.00 0.00 N ATOM 995 CA ASP A 64 6.284 0.418 11.034 1.00 0.00 C ATOM 996 C ASP A 64 5.307 -0.289 10.090 1.00 0.00 C ATOM 997 O ASP A 64 5.153 0.081 8.938 1.00 0.00 O ATOM 998 CB ASP A 64 5.753 1.803 11.385 1.00 0.00 C ATOM 999 CG ASP A 64 4.385 1.678 12.056 1.00 0.00 C ATOM 1000 OD1 ASP A 64 3.861 0.577 12.093 1.00 0.00 O ATOM 1001 OD2 ASP A 64 3.882 2.687 12.520 1.00 0.00 O ATOM 0 H ASP A 64 7.807 1.458 9.961 1.00 0.00 H new ATOM 0 HA ASP A 64 6.383 -0.176 11.942 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.450 2.312 12.051 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.672 2.411 10.484 1.00 0.00 H new ATOM 1006 N VAL A 65 4.643 -1.306 10.578 1.00 0.00 N ATOM 1007 CA VAL A 65 3.663 -2.043 9.731 1.00 0.00 C ATOM 1008 C VAL A 65 2.328 -1.300 9.752 1.00 0.00 C ATOM 1009 O VAL A 65 1.719 -1.115 10.791 1.00 0.00 O ATOM 1010 CB VAL A 65 3.484 -3.468 10.273 1.00 0.00 C ATOM 1011 CG1 VAL A 65 4.627 -4.354 9.768 1.00 0.00 C ATOM 1012 CG2 VAL A 65 3.510 -3.438 11.803 1.00 0.00 C ATOM 0 H VAL A 65 4.739 -1.657 11.531 1.00 0.00 H new ATOM 0 HA VAL A 65 4.028 -2.101 8.705 1.00 0.00 H new ATOM 0 HB VAL A 65 2.530 -3.869 9.929 1.00 0.00 H new ATOM 0 HG11 VAL A 65 4.500 -5.366 10.153 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.616 -4.376 8.678 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.579 -3.951 10.113 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.383 -4.449 12.189 1.00 0.00 H new ATOM 0 HG22 VAL A 65 4.465 -3.037 12.143 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.701 -2.806 12.168 1.00 0.00 H new ATOM 1022 N VAL A 66 1.873 -0.862 8.604 1.00 0.00 N ATOM 1023 CA VAL A 66 0.581 -0.119 8.535 1.00 0.00 C ATOM 1024 C VAL A 66 -0.221 -0.585 7.323 1.00 0.00 C ATOM 1025 O VAL A 66 0.300 -1.202 6.407 1.00 0.00 O ATOM 1026 CB VAL A 66 0.863 1.381 8.415 1.00 0.00 C ATOM 1027 CG1 VAL A 66 1.609 1.864 9.662 1.00 0.00 C ATOM 1028 CG2 VAL A 66 1.718 1.648 7.172 1.00 0.00 C ATOM 0 H VAL A 66 2.345 -0.989 7.709 1.00 0.00 H new ATOM 0 HA VAL A 66 0.006 -0.312 9.441 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.081 1.918 8.326 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.809 2.932 9.575 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.998 1.680 10.546 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.552 1.324 9.754 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.917 2.717 7.090 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.662 1.109 7.257 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.185 1.309 6.284 1.00 0.00 H new ATOM 1038 N ARG A 67 -1.494 -0.280 7.321 1.00 0.00 N ATOM 1039 CA ARG A 67 -2.384 -0.669 6.191 1.00 0.00 C ATOM 1040 C ARG A 67 -3.038 0.590 5.632 1.00 0.00 C ATOM 1041 O ARG A 67 -3.647 1.351 6.356 1.00 0.00 O ATOM 1042 CB ARG A 67 -3.456 -1.625 6.712 1.00 0.00 C ATOM 1043 CG ARG A 67 -4.344 -2.085 5.557 1.00 0.00 C ATOM 1044 CD ARG A 67 -5.306 -3.163 6.058 1.00 0.00 C ATOM 1045 NE ARG A 67 -6.068 -3.732 4.908 1.00 0.00 N ATOM 1046 CZ ARG A 67 -7.221 -3.228 4.551 1.00 0.00 C ATOM 1047 NH1 ARG A 67 -7.720 -2.202 5.186 1.00 0.00 N ATOM 1048 NH2 ARG A 67 -7.875 -3.752 3.551 1.00 0.00 N ATOM 0 H ARG A 67 -1.960 0.232 8.070 1.00 0.00 H new ATOM 0 HA ARG A 67 -1.812 -1.163 5.405 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -2.988 -2.486 7.188 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.060 -1.130 7.472 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -4.903 -1.241 5.155 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -3.731 -2.477 4.745 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -4.751 -3.952 6.565 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -5.995 -2.738 6.788 1.00 0.00 H new ATOM 0 HE ARG A 67 -5.684 -4.525 4.393 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -7.210 -1.788 5.966 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -8.620 -1.815 4.902 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -7.487 -4.552 3.051 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -8.774 -3.362 3.269 1.00 0.00 H new ATOM 1062 N ILE A 68 -2.906 0.823 4.349 1.00 0.00 N ATOM 1063 CA ILE A 68 -3.508 2.047 3.735 1.00 0.00 C ATOM 1064 C ILE A 68 -4.718 1.653 2.894 1.00 0.00 C ATOM 1065 O ILE A 68 -4.646 0.772 2.058 1.00 0.00 O ATOM 1066 CB ILE A 68 -2.466 2.728 2.848 1.00 0.00 C ATOM 1067 CG1 ILE A 68 -1.237 3.065 3.695 1.00 0.00 C ATOM 1068 CG2 ILE A 68 -3.047 4.022 2.271 1.00 0.00 C ATOM 1069 CD1 ILE A 68 -0.106 3.560 2.792 1.00 0.00 C ATOM 0 H ILE A 68 -2.406 0.216 3.699 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.825 2.734 4.520 1.00 0.00 H new ATOM 0 HB ILE A 68 -2.188 2.060 2.032 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.489 3.829 4.430 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.913 2.184 4.249 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.302 4.505 1.639 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.931 3.791 1.677 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -3.322 4.692 3.085 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.767 3.799 3.400 1.00 0.00 H new ATOM 0 HD12 ILE A 68 0.153 2.782 2.074 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -0.431 4.453 2.258 1.00 0.00 H new ATOM 1081 N ASP A 69 -5.832 2.306 3.116 1.00 0.00 N ATOM 1082 CA ASP A 69 -7.077 1.997 2.347 1.00 0.00 C ATOM 1083 C ASP A 69 -7.453 3.190 1.466 1.00 0.00 C ATOM 1084 O ASP A 69 -7.197 4.329 1.800 1.00 0.00 O ATOM 1085 CB ASP A 69 -8.208 1.713 3.336 1.00 0.00 C ATOM 1086 CG ASP A 69 -8.006 0.331 3.965 1.00 0.00 C ATOM 1087 OD1 ASP A 69 -7.210 -0.429 3.439 1.00 0.00 O ATOM 1088 OD2 ASP A 69 -8.653 0.058 4.961 1.00 0.00 O ATOM 0 H ASP A 69 -5.932 3.050 3.807 1.00 0.00 H new ATOM 0 HA ASP A 69 -6.911 1.127 1.711 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -8.226 2.478 4.112 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -9.170 1.754 2.825 1.00 0.00 H new ATOM 1093 N ASN A 70 -8.060 2.924 0.340 1.00 0.00 N ATOM 1094 CA ASN A 70 -8.461 4.020 -0.591 1.00 0.00 C ATOM 1095 C ASN A 70 -7.215 4.786 -1.048 1.00 0.00 C ATOM 1096 O ASN A 70 -7.241 5.989 -1.224 1.00 0.00 O ATOM 1097 CB ASN A 70 -9.435 4.976 0.113 1.00 0.00 C ATOM 1098 CG ASN A 70 -10.097 5.883 -0.926 1.00 0.00 C ATOM 1099 OD1 ASN A 70 -9.575 6.066 -2.007 1.00 0.00 O ATOM 1100 ND2 ASN A 70 -11.232 6.465 -0.644 1.00 0.00 N ATOM 0 H ASN A 70 -8.298 1.984 0.022 1.00 0.00 H new ATOM 0 HA ASN A 70 -8.957 3.589 -1.461 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -10.193 4.408 0.652 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -8.903 5.577 0.850 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -11.678 7.072 -1.331 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -11.672 6.312 0.264 1.00 0.00 H new ATOM 1107 N ALA A 71 -6.125 4.093 -1.253 1.00 0.00 N ATOM 1108 CA ALA A 71 -4.877 4.771 -1.707 1.00 0.00 C ATOM 1109 C ALA A 71 -5.009 5.149 -3.184 1.00 0.00 C ATOM 1110 O ALA A 71 -5.427 4.355 -3.999 1.00 0.00 O ATOM 1111 CB ALA A 71 -3.693 3.819 -1.525 1.00 0.00 C ATOM 0 H ALA A 71 -6.046 3.084 -1.125 1.00 0.00 H new ATOM 0 HA ALA A 71 -4.714 5.674 -1.118 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.777 4.310 -1.855 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -3.601 3.550 -0.473 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -3.856 2.918 -2.117 1.00 0.00 H new ATOM 1117 N ARG A 72 -4.655 6.357 -3.533 1.00 0.00 N ATOM 1118 CA ARG A 72 -4.766 6.790 -4.955 1.00 0.00 C ATOM 1119 C ARG A 72 -3.523 6.361 -5.738 1.00 0.00 C ATOM 1120 O ARG A 72 -2.402 6.573 -5.320 1.00 0.00 O ATOM 1121 CB ARG A 72 -4.912 8.313 -4.993 1.00 0.00 C ATOM 1122 CG ARG A 72 -5.088 8.782 -6.437 1.00 0.00 C ATOM 1123 CD ARG A 72 -5.370 10.287 -6.454 1.00 0.00 C ATOM 1124 NE ARG A 72 -5.665 10.716 -7.851 1.00 0.00 N ATOM 1125 CZ ARG A 72 -6.006 11.951 -8.105 1.00 0.00 C ATOM 1126 NH1 ARG A 72 -6.099 12.819 -7.135 1.00 0.00 N ATOM 1127 NH2 ARG A 72 -6.256 12.318 -9.333 1.00 0.00 N ATOM 0 H ARG A 72 -4.293 7.064 -2.893 1.00 0.00 H new ATOM 0 HA ARG A 72 -5.637 6.323 -5.415 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -5.770 8.620 -4.394 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -4.032 8.783 -4.553 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -4.189 8.563 -7.014 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -5.909 8.242 -6.909 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -6.214 10.518 -5.804 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -4.511 10.834 -6.067 1.00 0.00 H new ATOM 0 HE ARG A 72 -5.600 10.041 -8.613 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -5.905 12.534 -6.175 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -6.366 13.783 -7.337 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -6.185 11.641 -10.092 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -6.522 13.282 -9.533 1.00 0.00 H new ATOM 1141 N VAL A 73 -3.723 5.751 -6.876 1.00 0.00 N ATOM 1142 CA VAL A 73 -2.571 5.294 -7.704 1.00 0.00 C ATOM 1143 C VAL A 73 -2.127 6.426 -8.627 1.00 0.00 C ATOM 1144 O VAL A 73 -2.936 7.075 -9.258 1.00 0.00 O ATOM 1145 CB VAL A 73 -3.006 4.095 -8.544 1.00 0.00 C ATOM 1146 CG1 VAL A 73 -1.848 3.645 -9.438 1.00 0.00 C ATOM 1147 CG2 VAL A 73 -3.411 2.953 -7.613 1.00 0.00 C ATOM 0 H VAL A 73 -4.642 5.549 -7.269 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.742 5.010 -7.056 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.853 4.374 -9.171 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -2.161 2.789 -10.036 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.559 4.463 -10.098 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.998 3.362 -8.817 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.723 2.093 -8.206 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.562 2.674 -6.988 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.237 3.276 -6.979 1.00 0.00 H new ATOM 1157 N ALA A 74 -0.846 6.673 -8.714 1.00 0.00 N ATOM 1158 CA ALA A 74 -0.350 7.765 -9.601 1.00 0.00 C ATOM 1159 C ALA A 74 0.957 7.334 -10.258 1.00 0.00 C ATOM 1160 O ALA A 74 1.676 6.501 -9.744 1.00 0.00 O ATOM 1161 CB ALA A 74 -0.105 9.023 -8.766 1.00 0.00 C ATOM 0 H ALA A 74 -0.121 6.164 -8.208 1.00 0.00 H new ATOM 0 HA ALA A 74 -1.093 7.974 -10.371 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.258 9.823 -9.411 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.037 9.333 -8.293 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.639 8.811 -7.998 1.00 0.00 H new ATOM 1167 N GLN A 75 1.261 7.899 -11.400 1.00 0.00 N ATOM 1168 CA GLN A 75 2.520 7.543 -12.123 1.00 0.00 C ATOM 1169 C GLN A 75 3.417 8.776 -12.202 1.00 0.00 C ATOM 1170 O GLN A 75 3.058 9.773 -12.794 1.00 0.00 O ATOM 1171 CB GLN A 75 2.165 7.083 -13.535 1.00 0.00 C ATOM 1172 CG GLN A 75 3.442 6.702 -14.284 1.00 0.00 C ATOM 1173 CD GLN A 75 3.075 6.045 -15.615 1.00 0.00 C ATOM 1174 OE1 GLN A 75 1.943 5.655 -15.821 1.00 0.00 O ATOM 1175 NE2 GLN A 75 3.993 5.901 -16.528 1.00 0.00 N ATOM 0 H GLN A 75 0.684 8.599 -11.867 1.00 0.00 H new ATOM 0 HA GLN A 75 3.042 6.745 -11.595 1.00 0.00 H new ATOM 0 HB2 GLN A 75 1.488 6.230 -13.491 1.00 0.00 H new ATOM 0 HB3 GLN A 75 1.642 7.878 -14.067 1.00 0.00 H new ATOM 0 HG2 GLN A 75 4.052 7.588 -14.460 1.00 0.00 H new ATOM 0 HG3 GLN A 75 4.040 6.018 -13.681 1.00 0.00 H new ATOM 0 HE21 GLN A 75 4.943 6.229 -16.353 1.00 0.00 H new ATOM 0 HE22 GLN A 75 3.762 5.460 -17.418 1.00 0.00 H new ATOM 1184 N PHE A 76 4.585 8.711 -11.607 1.00 0.00 N ATOM 1185 CA PHE A 76 5.524 9.875 -11.639 1.00 0.00 C ATOM 1186 C PHE A 76 6.890 9.424 -12.163 1.00 0.00 C ATOM 1187 O PHE A 76 7.425 8.418 -11.747 1.00 0.00 O ATOM 1188 CB PHE A 76 5.673 10.446 -10.227 1.00 0.00 C ATOM 1189 CG PHE A 76 4.404 11.176 -9.849 1.00 0.00 C ATOM 1190 CD1 PHE A 76 4.102 12.404 -10.451 1.00 0.00 C ATOM 1191 CD2 PHE A 76 3.528 10.628 -8.902 1.00 0.00 C ATOM 1192 CE1 PHE A 76 2.928 13.084 -10.106 1.00 0.00 C ATOM 1193 CE2 PHE A 76 2.353 11.308 -8.559 1.00 0.00 C ATOM 1194 CZ PHE A 76 2.054 12.537 -9.160 1.00 0.00 C ATOM 0 H PHE A 76 4.929 7.897 -11.098 1.00 0.00 H new ATOM 0 HA PHE A 76 5.126 10.644 -12.301 1.00 0.00 H new ATOM 0 HB2 PHE A 76 5.870 9.643 -9.516 1.00 0.00 H new ATOM 0 HB3 PHE A 76 6.524 11.126 -10.185 1.00 0.00 H new ATOM 0 HD1 PHE A 76 4.775 12.827 -11.182 1.00 0.00 H new ATOM 0 HD2 PHE A 76 3.759 9.681 -8.437 1.00 0.00 H new ATOM 0 HE1 PHE A 76 2.697 14.031 -10.570 1.00 0.00 H new ATOM 0 HE2 PHE A 76 1.677 10.885 -7.831 1.00 0.00 H new ATOM 0 HZ PHE A 76 1.149 13.063 -8.893 1.00 0.00 H new ATOM 1204 N ASN A 77 7.443 10.172 -13.078 1.00 0.00 N ATOM 1205 CA ASN A 77 8.775 9.827 -13.658 1.00 0.00 C ATOM 1206 C ASN A 77 8.740 8.415 -14.255 1.00 0.00 C ATOM 1207 O ASN A 77 9.734 7.718 -14.284 1.00 0.00 O ATOM 1208 CB ASN A 77 9.852 9.918 -12.572 1.00 0.00 C ATOM 1209 CG ASN A 77 10.074 11.388 -12.215 1.00 0.00 C ATOM 1210 OD1 ASN A 77 9.774 12.265 -13.000 1.00 0.00 O ATOM 1211 ND2 ASN A 77 10.579 11.701 -11.053 1.00 0.00 N ATOM 0 H ASN A 77 7.022 11.021 -13.455 1.00 0.00 H new ATOM 0 HA ASN A 77 9.013 10.534 -14.452 1.00 0.00 H new ATOM 0 HB2 ASN A 77 9.545 9.358 -11.689 1.00 0.00 H new ATOM 0 HB3 ASN A 77 10.782 9.471 -12.925 1.00 0.00 H new ATOM 0 HD21 ASN A 77 10.721 12.680 -10.806 1.00 0.00 H new ATOM 0 HD22 ASN A 77 10.832 10.966 -10.392 1.00 0.00 H new ATOM 1218 N GLY A 78 7.608 8.002 -14.760 1.00 0.00 N ATOM 1219 CA GLY A 78 7.515 6.651 -15.382 1.00 0.00 C ATOM 1220 C GLY A 78 7.449 5.573 -14.300 1.00 0.00 C ATOM 1221 O GLY A 78 7.469 4.394 -14.595 1.00 0.00 O ATOM 0 H GLY A 78 6.743 8.543 -14.768 1.00 0.00 H new ATOM 0 HA2 GLY A 78 6.630 6.595 -16.016 1.00 0.00 H new ATOM 0 HA3 GLY A 78 8.378 6.479 -16.025 1.00 0.00 H new ATOM 1225 N TYR A 79 7.378 5.963 -13.050 1.00 0.00 N ATOM 1226 CA TYR A 79 7.320 4.959 -11.939 1.00 0.00 C ATOM 1227 C TYR A 79 5.963 5.029 -11.237 1.00 0.00 C ATOM 1228 O TYR A 79 5.473 6.090 -10.905 1.00 0.00 O ATOM 1229 CB TYR A 79 8.431 5.264 -10.937 1.00 0.00 C ATOM 1230 CG TYR A 79 9.768 4.990 -11.582 1.00 0.00 C ATOM 1231 CD1 TYR A 79 10.246 3.677 -11.666 1.00 0.00 C ATOM 1232 CD2 TYR A 79 10.527 6.046 -12.100 1.00 0.00 C ATOM 1233 CE1 TYR A 79 11.484 3.420 -12.265 1.00 0.00 C ATOM 1234 CE2 TYR A 79 11.767 5.789 -12.699 1.00 0.00 C ATOM 1235 CZ TYR A 79 12.245 4.475 -12.781 1.00 0.00 C ATOM 1236 OH TYR A 79 13.468 4.222 -13.369 1.00 0.00 O ATOM 0 H TYR A 79 7.358 6.938 -12.750 1.00 0.00 H new ATOM 0 HA TYR A 79 7.452 3.957 -12.348 1.00 0.00 H new ATOM 0 HB2 TYR A 79 8.374 6.305 -10.618 1.00 0.00 H new ATOM 0 HB3 TYR A 79 8.311 4.650 -10.045 1.00 0.00 H new ATOM 0 HD1 TYR A 79 9.659 2.862 -11.268 1.00 0.00 H new ATOM 0 HD2 TYR A 79 10.157 7.059 -12.038 1.00 0.00 H new ATOM 0 HE1 TYR A 79 11.853 2.407 -12.329 1.00 0.00 H new ATOM 0 HE2 TYR A 79 12.354 6.603 -13.097 1.00 0.00 H new ATOM 0 HH TYR A 79 13.864 5.064 -13.675 1.00 0.00 H new ATOM 1246 N LEU A 80 5.355 3.896 -11.011 1.00 0.00 N ATOM 1247 CA LEU A 80 4.029 3.874 -10.335 1.00 0.00 C ATOM 1248 C LEU A 80 4.211 4.080 -8.832 1.00 0.00 C ATOM 1249 O LEU A 80 5.186 3.651 -8.250 1.00 0.00 O ATOM 1250 CB LEU A 80 3.362 2.522 -10.596 1.00 0.00 C ATOM 1251 CG LEU A 80 3.124 2.348 -12.103 1.00 0.00 C ATOM 1252 CD1 LEU A 80 2.562 0.950 -12.370 1.00 0.00 C ATOM 1253 CD2 LEU A 80 2.131 3.410 -12.613 1.00 0.00 C ATOM 0 H LEU A 80 5.723 2.980 -11.268 1.00 0.00 H new ATOM 0 HA LEU A 80 3.402 4.675 -10.727 1.00 0.00 H new ATOM 0 HB2 LEU A 80 3.993 1.716 -10.222 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.416 2.462 -10.059 1.00 0.00 H new ATOM 0 HG LEU A 80 4.071 2.471 -12.629 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.392 0.824 -13.439 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.273 0.200 -12.025 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.619 0.829 -11.836 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.971 3.275 -13.683 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.182 3.302 -12.088 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.536 4.405 -12.429 1.00 0.00 H new ATOM 1265 N SER A 81 3.274 4.737 -8.199 1.00 0.00 N ATOM 1266 CA SER A 81 3.393 4.973 -6.734 1.00 0.00 C ATOM 1267 C SER A 81 2.007 5.200 -6.133 1.00 0.00 C ATOM 1268 O SER A 81 1.057 5.499 -6.830 1.00 0.00 O ATOM 1269 CB SER A 81 4.263 6.204 -6.486 1.00 0.00 C ATOM 1270 OG SER A 81 3.608 7.351 -7.009 1.00 0.00 O ATOM 0 H SER A 81 2.434 5.119 -8.634 1.00 0.00 H new ATOM 0 HA SER A 81 3.850 4.102 -6.265 1.00 0.00 H new ATOM 0 HB2 SER A 81 4.443 6.328 -5.418 1.00 0.00 H new ATOM 0 HB3 SER A 81 5.236 6.078 -6.960 1.00 0.00 H new ATOM 0 HG SER A 81 4.161 8.144 -6.851 1.00 0.00 H new ATOM 1276 N LEU A 82 1.889 5.062 -4.837 1.00 0.00 N ATOM 1277 CA LEU A 82 0.572 5.268 -4.163 1.00 0.00 C ATOM 1278 C LEU A 82 0.597 6.600 -3.421 1.00 0.00 C ATOM 1279 O LEU A 82 1.521 6.897 -2.689 1.00 0.00 O ATOM 1280 CB LEU A 82 0.335 4.131 -3.169 1.00 0.00 C ATOM 1281 CG LEU A 82 0.370 2.786 -3.906 1.00 0.00 C ATOM 1282 CD1 LEU A 82 0.202 1.649 -2.893 1.00 0.00 C ATOM 1283 CD2 LEU A 82 -0.766 2.724 -4.944 1.00 0.00 C ATOM 0 H LEU A 82 2.656 4.813 -4.212 1.00 0.00 H new ATOM 0 HA LEU A 82 -0.229 5.277 -4.902 1.00 0.00 H new ATOM 0 HB2 LEU A 82 1.098 4.150 -2.391 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.628 4.261 -2.675 1.00 0.00 H new ATOM 0 HG LEU A 82 1.326 2.682 -4.420 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.226 0.692 -3.413 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.013 1.687 -2.165 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.753 1.758 -2.379 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.733 1.766 -5.462 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.726 2.831 -4.439 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -0.644 3.531 -5.666 1.00 0.00 H new ATOM 1295 N SER A 83 -0.410 7.412 -3.618 1.00 0.00 N ATOM 1296 CA SER A 83 -0.464 8.741 -2.943 1.00 0.00 C ATOM 1297 C SER A 83 -1.528 8.712 -1.851 1.00 0.00 C ATOM 1298 O SER A 83 -2.664 8.346 -2.088 1.00 0.00 O ATOM 1299 CB SER A 83 -0.831 9.805 -3.977 1.00 0.00 C ATOM 1300 OG SER A 83 -1.069 11.039 -3.316 1.00 0.00 O ATOM 0 H SER A 83 -1.204 7.207 -4.224 1.00 0.00 H new ATOM 0 HA SER A 83 0.505 8.971 -2.499 1.00 0.00 H new ATOM 0 HB2 SER A 83 -0.025 9.917 -4.702 1.00 0.00 H new ATOM 0 HB3 SER A 83 -1.718 9.499 -4.531 1.00 0.00 H new ATOM 0 HG SER A 83 -1.303 11.724 -3.976 1.00 0.00 H new ATOM 1306 N VAL A 84 -1.170 9.097 -0.651 1.00 0.00 N ATOM 1307 CA VAL A 84 -2.158 9.098 0.469 1.00 0.00 C ATOM 1308 C VAL A 84 -2.639 10.525 0.718 1.00 0.00 C ATOM 1309 O VAL A 84 -1.918 11.361 1.236 1.00 0.00 O ATOM 1310 CB VAL A 84 -1.488 8.549 1.730 1.00 0.00 C ATOM 1311 CG1 VAL A 84 -2.552 8.176 2.761 1.00 0.00 C ATOM 1312 CG2 VAL A 84 -0.672 7.306 1.366 1.00 0.00 C ATOM 0 H VAL A 84 -0.233 9.411 -0.399 1.00 0.00 H new ATOM 0 HA VAL A 84 -3.012 8.472 0.210 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.832 9.310 2.153 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.069 7.786 3.657 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.135 9.060 3.019 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.212 7.416 2.344 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.192 6.911 2.261 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.332 6.548 0.943 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.090 7.573 0.634 1.00 0.00 H new ATOM 1322 N GLY A 85 -3.860 10.806 0.346 1.00 0.00 N ATOM 1323 CA GLY A 85 -4.426 12.171 0.545 1.00 0.00 C ATOM 1324 C GLY A 85 -5.233 12.206 1.843 1.00 0.00 C ATOM 1325 O GLY A 85 -5.314 11.232 2.564 1.00 0.00 O ATOM 0 H GLY A 85 -4.496 10.139 -0.092 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -3.623 12.907 0.584 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -5.063 12.438 -0.298 1.00 0.00 H new ATOM 1329 N ASP A 86 -5.843 13.319 2.139 1.00 0.00 N ATOM 1330 CA ASP A 86 -6.657 13.419 3.380 1.00 0.00 C ATOM 1331 C ASP A 86 -7.910 12.548 3.236 1.00 0.00 C ATOM 1332 O ASP A 86 -8.566 12.219 4.203 1.00 0.00 O ATOM 1333 CB ASP A 86 -7.064 14.874 3.596 1.00 0.00 C ATOM 1334 CG ASP A 86 -5.834 15.694 3.991 1.00 0.00 C ATOM 1335 OD1 ASP A 86 -4.829 15.092 4.333 1.00 0.00 O ATOM 1336 OD2 ASP A 86 -5.917 16.911 3.942 1.00 0.00 O ATOM 0 H ASP A 86 -5.812 14.166 1.572 1.00 0.00 H new ATOM 0 HA ASP A 86 -6.074 13.074 4.234 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -7.507 15.278 2.686 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.823 14.939 4.375 1.00 0.00 H new ATOM 1341 N SER A 87 -8.248 12.174 2.031 1.00 0.00 N ATOM 1342 CA SER A 87 -9.454 11.326 1.822 1.00 0.00 C ATOM 1343 C SER A 87 -9.077 9.858 2.030 1.00 0.00 C ATOM 1344 O SER A 87 -9.920 8.986 2.067 1.00 0.00 O ATOM 1345 CB SER A 87 -9.958 11.520 0.391 1.00 0.00 C ATOM 1346 OG SER A 87 -10.361 12.872 0.213 1.00 0.00 O ATOM 0 H SER A 87 -7.739 12.420 1.182 1.00 0.00 H new ATOM 0 HA SER A 87 -10.234 11.608 2.529 1.00 0.00 H new ATOM 0 HB2 SER A 87 -9.173 11.266 -0.321 1.00 0.00 H new ATOM 0 HB3 SER A 87 -10.795 10.850 0.194 1.00 0.00 H new ATOM 0 HG SER A 87 -10.683 12.999 -0.704 1.00 0.00 H new ATOM 1352 N SER A 88 -7.807 9.583 2.163 1.00 0.00 N ATOM 1353 CA SER A 88 -7.357 8.177 2.364 1.00 0.00 C ATOM 1354 C SER A 88 -7.428 7.819 3.849 1.00 0.00 C ATOM 1355 O SER A 88 -7.602 8.679 4.690 1.00 0.00 O ATOM 1356 CB SER A 88 -5.917 8.038 1.874 1.00 0.00 C ATOM 1357 OG SER A 88 -5.477 6.705 2.091 1.00 0.00 O ATOM 0 H SER A 88 -7.059 10.276 2.141 1.00 0.00 H new ATOM 0 HA SER A 88 -8.004 7.503 1.803 1.00 0.00 H new ATOM 0 HB2 SER A 88 -5.855 8.286 0.814 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.271 8.738 2.404 1.00 0.00 H new ATOM 0 HG SER A 88 -6.179 6.080 1.815 1.00 0.00 H new ATOM 1363 N ARG A 89 -7.296 6.556 4.178 1.00 0.00 N ATOM 1364 CA ARG A 89 -7.359 6.132 5.612 1.00 0.00 C ATOM 1365 C ARG A 89 -6.152 5.259 5.949 1.00 0.00 C ATOM 1366 O ARG A 89 -5.737 4.424 5.170 1.00 0.00 O ATOM 1367 CB ARG A 89 -8.643 5.329 5.838 1.00 0.00 C ATOM 1368 CG ARG A 89 -9.872 6.204 5.559 1.00 0.00 C ATOM 1369 CD ARG A 89 -10.127 7.162 6.731 1.00 0.00 C ATOM 1370 NE ARG A 89 -11.419 7.867 6.515 1.00 0.00 N ATOM 1371 CZ ARG A 89 -11.815 8.773 7.364 1.00 0.00 C ATOM 1372 NH1 ARG A 89 -11.083 9.054 8.407 1.00 0.00 N ATOM 1373 NH2 ARG A 89 -12.944 9.394 7.172 1.00 0.00 N ATOM 0 H ARG A 89 -7.147 5.798 3.512 1.00 0.00 H new ATOM 0 HA ARG A 89 -7.352 7.014 6.252 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -8.654 4.456 5.186 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -8.675 4.961 6.864 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -9.720 6.774 4.642 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -10.747 5.573 5.400 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -10.154 6.608 7.670 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -9.314 7.884 6.810 1.00 0.00 H new ATOM 0 HE ARG A 89 -11.994 7.642 5.703 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -10.201 8.565 8.558 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -11.393 9.763 9.071 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -13.517 9.171 6.358 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -13.255 10.103 7.836 1.00 0.00 H new ATOM 1387 N ILE A 90 -5.595 5.454 7.117 1.00 0.00 N ATOM 1388 CA ILE A 90 -4.413 4.651 7.551 1.00 0.00 C ATOM 1389 C ILE A 90 -4.758 3.900 8.834 1.00 0.00 C ATOM 1390 O ILE A 90 -5.258 4.471 9.782 1.00 0.00 O ATOM 1391 CB ILE A 90 -3.232 5.586 7.817 1.00 0.00 C ATOM 1392 CG1 ILE A 90 -2.798 6.237 6.501 1.00 0.00 C ATOM 1393 CG2 ILE A 90 -2.069 4.785 8.401 1.00 0.00 C ATOM 1394 CD1 ILE A 90 -1.794 7.355 6.790 1.00 0.00 C ATOM 0 H ILE A 90 -5.914 6.145 7.797 1.00 0.00 H new ATOM 0 HA ILE A 90 -4.148 3.941 6.768 1.00 0.00 H new ATOM 0 HB ILE A 90 -3.529 6.359 8.526 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -2.349 5.491 5.845 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -3.666 6.639 5.979 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -1.227 5.451 8.591 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.381 4.319 9.336 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -1.768 4.012 7.694 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -1.485 7.818 5.853 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -2.259 8.105 7.430 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -0.921 6.939 7.294 1.00 0.00 H new ATOM 1406 N GLU A 91 -4.480 2.620 8.868 1.00 0.00 N ATOM 1407 CA GLU A 91 -4.768 1.806 10.086 1.00 0.00 C ATOM 1408 C GLU A 91 -3.465 1.161 10.558 1.00 0.00 C ATOM 1409 O GLU A 91 -2.910 0.300 9.905 1.00 0.00 O ATOM 1410 CB GLU A 91 -5.795 0.725 9.743 1.00 0.00 C ATOM 1411 CG GLU A 91 -6.140 -0.062 11.006 1.00 0.00 C ATOM 1412 CD GLU A 91 -7.212 -1.103 10.684 1.00 0.00 C ATOM 1413 OE1 GLU A 91 -7.820 -0.995 9.632 1.00 0.00 O ATOM 1414 OE2 GLU A 91 -7.407 -1.993 11.496 1.00 0.00 O ATOM 0 H GLU A 91 -4.062 2.101 8.096 1.00 0.00 H new ATOM 0 HA GLU A 91 -5.173 2.437 10.877 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -6.694 1.180 9.327 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -5.395 0.056 8.981 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -5.248 -0.552 11.396 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -6.497 0.615 11.782 1.00 0.00 H new ATOM 1421 N SER A 92 -2.965 1.593 11.681 1.00 0.00 N ATOM 1422 CA SER A 92 -1.688 1.035 12.207 1.00 0.00 C ATOM 1423 C SER A 92 -1.916 -0.371 12.756 1.00 0.00 C ATOM 1424 O SER A 92 -2.964 -0.668 13.292 1.00 0.00 O ATOM 1425 CB SER A 92 -1.180 1.932 13.332 1.00 0.00 C ATOM 1426 OG SER A 92 0.004 1.372 13.882 1.00 0.00 O ATOM 0 H SER A 92 -3.390 2.315 12.262 1.00 0.00 H new ATOM 0 HA SER A 92 -0.957 0.990 11.400 1.00 0.00 H new ATOM 0 HB2 SER A 92 -0.979 2.933 12.951 1.00 0.00 H new ATOM 0 HB3 SER A 92 -1.942 2.032 14.105 1.00 0.00 H new ATOM 0 HG SER A 92 -0.076 1.333 14.858 1.00 0.00 H new ATOM 1432 N VAL A 93 -0.935 -1.239 12.637 1.00 0.00 N ATOM 1433 CA VAL A 93 -1.088 -2.633 13.163 1.00 0.00 C ATOM 1434 C VAL A 93 -0.058 -2.878 14.269 1.00 0.00 C ATOM 1435 O VAL A 93 1.125 -2.658 14.097 1.00 0.00 O ATOM 1436 CB VAL A 93 -0.867 -3.625 12.020 1.00 0.00 C ATOM 1437 CG1 VAL A 93 -0.742 -5.046 12.577 1.00 0.00 C ATOM 1438 CG2 VAL A 93 -2.061 -3.554 11.067 1.00 0.00 C ATOM 0 H VAL A 93 -0.036 -1.040 12.198 1.00 0.00 H new ATOM 0 HA VAL A 93 -2.089 -2.766 13.573 1.00 0.00 H new ATOM 0 HB VAL A 93 0.051 -3.372 11.489 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.585 -5.746 11.756 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.104 -5.095 13.263 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.656 -5.310 13.109 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -1.915 -4.257 10.247 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -2.973 -3.810 11.606 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -2.148 -2.544 10.667 1.00 0.00 H new ATOM 1448 N ASN A 94 -0.514 -3.347 15.399 1.00 0.00 N ATOM 1449 CA ASN A 94 0.401 -3.632 16.536 1.00 0.00 C ATOM 1450 C ASN A 94 -0.412 -4.312 17.644 1.00 0.00 C ATOM 1451 O ASN A 94 0.096 -5.103 18.411 1.00 0.00 O ATOM 1452 CB ASN A 94 1.005 -2.319 17.058 1.00 0.00 C ATOM 1453 CG ASN A 94 2.247 -2.624 17.901 1.00 0.00 C ATOM 1454 OD1 ASN A 94 2.975 -3.552 17.614 1.00 0.00 O ATOM 1455 ND2 ASN A 94 2.521 -1.873 18.931 1.00 0.00 N ATOM 0 H ASN A 94 -1.497 -3.547 15.583 1.00 0.00 H new ATOM 0 HA ASN A 94 1.214 -4.283 16.214 1.00 0.00 H new ATOM 0 HB2 ASN A 94 1.270 -1.672 16.222 1.00 0.00 H new ATOM 0 HB3 ASN A 94 0.270 -1.781 17.657 1.00 0.00 H new ATOM 0 HD21 ASN A 94 3.348 -2.065 19.497 1.00 0.00 H new ATOM 0 HD22 ASN A 94 1.909 -1.094 19.171 1.00 0.00 H new ATOM 1462 N VAL A 95 -1.684 -4.005 17.711 1.00 0.00 N ATOM 1463 CA VAL A 95 -2.575 -4.616 18.746 1.00 0.00 C ATOM 1464 C VAL A 95 -2.005 -4.397 20.149 1.00 0.00 C ATOM 1465 O VAL A 95 -0.843 -4.088 20.323 1.00 0.00 O ATOM 1466 CB VAL A 95 -2.722 -6.120 18.496 1.00 0.00 C ATOM 1467 CG1 VAL A 95 -3.608 -6.737 19.589 1.00 0.00 C ATOM 1468 CG2 VAL A 95 -3.374 -6.348 17.132 1.00 0.00 C ATOM 0 H VAL A 95 -2.149 -3.348 17.084 1.00 0.00 H new ATOM 0 HA VAL A 95 -3.550 -4.135 18.677 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.738 -6.588 18.515 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.713 -7.807 19.411 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -3.149 -6.574 20.564 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -4.592 -6.268 19.568 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -3.479 -7.418 16.953 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -4.358 -5.879 17.116 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -2.751 -5.909 16.353 1.00 0.00 H new ATOM 1478 N ASN A 96 -2.832 -4.559 21.148 1.00 0.00 N ATOM 1479 CA ASN A 96 -2.377 -4.371 22.555 1.00 0.00 C ATOM 1480 C ASN A 96 -1.872 -2.946 22.744 1.00 0.00 C ATOM 1481 O ASN A 96 -0.789 -2.605 22.316 1.00 0.00 O ATOM 1482 CB ASN A 96 -1.258 -5.363 22.888 1.00 0.00 C ATOM 1483 CG ASN A 96 -1.008 -5.348 24.398 1.00 0.00 C ATOM 1484 OD1 ASN A 96 0.039 -4.929 24.849 1.00 0.00 O ATOM 1485 ND2 ASN A 96 -1.937 -5.785 25.204 1.00 0.00 N ATOM 0 H ASN A 96 -3.814 -4.816 21.047 1.00 0.00 H new ATOM 0 HA ASN A 96 -3.218 -4.551 23.225 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -1.535 -6.366 22.563 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -0.347 -5.095 22.353 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -1.784 -5.775 26.212 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -2.816 -6.137 24.826 1.00 0.00 H new ATOM 1492 N ILE A 97 -2.667 -2.116 23.385 1.00 0.00 N ATOM 1493 CA ILE A 97 -2.284 -0.688 23.632 1.00 0.00 C ATOM 1494 C ILE A 97 -1.466 -0.141 22.454 1.00 0.00 C ATOM 1495 O ILE A 97 -0.336 0.277 22.613 1.00 0.00 O ATOM 1496 CB ILE A 97 -1.483 -0.585 24.945 1.00 0.00 C ATOM 1497 CG1 ILE A 97 -0.342 -1.612 24.962 1.00 0.00 C ATOM 1498 CG2 ILE A 97 -2.426 -0.863 26.119 1.00 0.00 C ATOM 1499 CD1 ILE A 97 0.563 -1.367 26.172 1.00 0.00 C ATOM 0 H ILE A 97 -3.582 -2.376 23.753 1.00 0.00 H new ATOM 0 HA ILE A 97 -3.189 -0.087 23.723 1.00 0.00 H new ATOM 0 HB ILE A 97 -1.056 0.414 25.026 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -0.751 -2.622 25.001 1.00 0.00 H new ATOM 0 HG13 ILE A 97 0.238 -1.539 24.042 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -1.872 -0.793 27.055 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -3.233 -0.130 26.119 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -2.846 -1.864 26.019 1.00 0.00 H new ATOM 0 HD11 ILE A 97 1.370 -2.100 26.177 1.00 0.00 H new ATOM 0 HD12 ILE A 97 0.984 -0.363 26.114 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -0.020 -1.463 27.088 1.00 0.00 H new ATOM 1511 N PRO A 98 -2.040 -0.156 21.271 1.00 0.00 N ATOM 1512 CA PRO A 98 -1.359 0.330 20.035 1.00 0.00 C ATOM 1513 C PRO A 98 -1.211 1.855 20.012 1.00 0.00 C ATOM 1514 O PRO A 98 -2.007 2.574 20.577 1.00 0.00 O ATOM 1515 CB PRO A 98 -2.270 -0.167 18.899 1.00 0.00 C ATOM 1516 CG PRO A 98 -3.630 -0.264 19.511 1.00 0.00 C ATOM 1517 CD PRO A 98 -3.411 -0.628 20.986 1.00 0.00 C ATOM 0 HA PRO A 98 -0.338 -0.042 19.955 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -2.264 0.525 18.057 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -1.937 -1.133 18.520 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -4.167 0.680 19.419 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -4.230 -1.022 19.008 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -4.143 -0.141 21.630 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -3.506 -1.701 21.151 1.00 0.00 H new ATOM 1525 N LEU A 99 -0.189 2.341 19.358 1.00 0.00 N ATOM 1526 CA LEU A 99 0.043 3.814 19.282 1.00 0.00 C ATOM 1527 C LEU A 99 0.206 4.387 20.693 1.00 0.00 C ATOM 1528 O LEU A 99 -0.637 4.221 21.551 1.00 0.00 O ATOM 1529 CB LEU A 99 -1.132 4.491 18.565 1.00 0.00 C ATOM 1530 CG LEU A 99 -1.375 3.806 17.215 1.00 0.00 C ATOM 1531 CD1 LEU A 99 -2.589 4.445 16.534 1.00 0.00 C ATOM 1532 CD2 LEU A 99 -0.138 3.968 16.314 1.00 0.00 C ATOM 0 H LEU A 99 0.503 1.774 18.868 1.00 0.00 H new ATOM 0 HA LEU A 99 0.955 4.006 18.717 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -2.029 4.432 19.181 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -0.918 5.549 18.414 1.00 0.00 H new ATOM 0 HG LEU A 99 -1.561 2.745 17.379 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.765 3.960 15.574 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -3.467 4.324 17.168 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -2.400 5.507 16.375 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.318 3.479 15.357 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.056 5.028 16.149 1.00 0.00 H new ATOM 0 HD23 LEU A 99 0.726 3.512 16.797 1.00 0.00 H new ATOM 1544 N GLU A 100 1.303 5.053 20.934 1.00 0.00 N ATOM 1545 CA GLU A 100 1.554 5.633 22.283 1.00 0.00 C ATOM 1546 C GLU A 100 0.650 6.845 22.520 1.00 0.00 C ATOM 1547 O GLU A 100 0.404 7.631 21.628 1.00 0.00 O ATOM 1548 CB GLU A 100 3.020 6.058 22.380 1.00 0.00 C ATOM 1549 CG GLU A 100 3.905 4.810 22.389 1.00 0.00 C ATOM 1550 CD GLU A 100 5.377 5.222 22.412 1.00 0.00 C ATOM 1551 OE1 GLU A 100 5.639 6.413 22.387 1.00 0.00 O ATOM 1552 OE2 GLU A 100 6.218 4.340 22.457 1.00 0.00 O ATOM 0 H GLU A 100 2.040 5.221 20.249 1.00 0.00 H new ATOM 0 HA GLU A 100 1.334 4.882 23.042 1.00 0.00 H new ATOM 0 HB2 GLU A 100 3.282 6.698 21.538 1.00 0.00 H new ATOM 0 HB3 GLU A 100 3.183 6.641 23.287 1.00 0.00 H new ATOM 0 HG2 GLU A 100 3.676 4.196 23.260 1.00 0.00 H new ATOM 0 HG3 GLU A 100 3.701 4.202 21.508 1.00 0.00 H new ATOM 1559 N HIS A 101 0.162 6.996 23.727 1.00 0.00 N ATOM 1560 CA HIS A 101 -0.728 8.152 24.055 1.00 0.00 C ATOM 1561 C HIS A 101 -1.721 8.403 22.915 1.00 0.00 C ATOM 1562 O HIS A 101 -2.801 7.847 22.881 1.00 0.00 O ATOM 1563 CB HIS A 101 0.120 9.410 24.258 1.00 0.00 C ATOM 1564 CG HIS A 101 1.018 9.232 25.448 1.00 0.00 C ATOM 1565 ND1 HIS A 101 0.531 9.205 26.744 1.00 0.00 N ATOM 1566 CD2 HIS A 101 2.378 9.077 25.555 1.00 0.00 C ATOM 1567 CE1 HIS A 101 1.580 9.039 27.569 1.00 0.00 C ATOM 1568 NE2 HIS A 101 2.731 8.955 26.896 1.00 0.00 N ATOM 0 H HIS A 101 0.344 6.362 24.505 1.00 0.00 H new ATOM 0 HA HIS A 101 -1.278 7.919 24.967 1.00 0.00 H new ATOM 0 HB2 HIS A 101 0.717 9.605 23.367 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -0.526 10.275 24.405 1.00 0.00 H new ATOM 0 HD2 HIS A 101 3.069 9.053 24.725 1.00 0.00 H new ATOM 0 HE1 HIS A 101 1.502 8.981 28.645 1.00 0.00 H new ATOM 0 HE2 HIS A 101 3.667 8.829 27.282 1.00 0.00 H new ATOM 1576 N HIS A 102 -1.356 9.245 21.985 1.00 0.00 N ATOM 1577 CA HIS A 102 -2.262 9.555 20.844 1.00 0.00 C ATOM 1578 C HIS A 102 -3.681 9.812 21.365 1.00 0.00 C ATOM 1579 O HIS A 102 -4.489 8.912 21.486 1.00 0.00 O ATOM 1580 CB HIS A 102 -2.264 8.386 19.857 1.00 0.00 C ATOM 1581 CG HIS A 102 -3.026 8.782 18.624 1.00 0.00 C ATOM 1582 ND1 HIS A 102 -4.390 8.574 18.501 1.00 0.00 N ATOM 1583 CD2 HIS A 102 -2.631 9.382 17.454 1.00 0.00 C ATOM 1584 CE1 HIS A 102 -4.765 9.042 17.297 1.00 0.00 C ATOM 1585 NE2 HIS A 102 -3.730 9.545 16.617 1.00 0.00 N ATOM 0 H HIS A 102 -0.461 9.735 21.968 1.00 0.00 H new ATOM 0 HA HIS A 102 -1.908 10.450 20.332 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -1.242 8.114 19.595 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -2.720 7.508 20.315 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -1.620 9.682 17.219 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -5.779 9.015 16.925 1.00 0.00 H new ATOM 0 HE2 HIS A 102 -3.743 9.959 15.685 1.00 0.00 H new ATOM 1593 N HIS A 103 -3.976 11.044 21.687 1.00 0.00 N ATOM 1594 CA HIS A 103 -5.325 11.390 22.217 1.00 0.00 C ATOM 1595 C HIS A 103 -6.351 11.430 21.079 1.00 0.00 C ATOM 1596 O HIS A 103 -6.141 10.875 20.020 1.00 0.00 O ATOM 1597 CB HIS A 103 -5.259 12.770 22.884 1.00 0.00 C ATOM 1598 CG HIS A 103 -6.463 12.963 23.766 1.00 0.00 C ATOM 1599 ND1 HIS A 103 -7.469 13.898 23.758 1.00 0.00 N flip ATOM 1600 CD2 HIS A 103 -6.744 12.112 24.821 1.00 0.00 C flip ATOM 1601 CE1 HIS A 103 -8.362 13.632 24.792 1.00 0.00 C flip ATOM 1602 NE2 HIS A 103 -7.879 12.545 25.400 1.00 0.00 N flip ATOM 0 H HIS A 103 -3.333 11.831 21.604 1.00 0.00 H new ATOM 0 HA HIS A 103 -5.629 10.634 22.941 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -4.346 12.857 23.473 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -5.223 13.551 22.124 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -6.159 11.256 25.124 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -9.254 14.185 25.048 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -8.317 12.098 26.205 1.00 0.00 H new ATOM 1610 N HIS A 104 -7.461 12.084 21.306 1.00 0.00 N ATOM 1611 CA HIS A 104 -8.522 12.178 20.268 1.00 0.00 C ATOM 1612 C HIS A 104 -8.967 10.774 19.860 1.00 0.00 C ATOM 1613 O HIS A 104 -8.398 10.155 18.983 1.00 0.00 O ATOM 1614 CB HIS A 104 -8.000 12.953 19.051 1.00 0.00 C ATOM 1615 CG HIS A 104 -7.624 14.345 19.482 1.00 0.00 C ATOM 1616 ND1 HIS A 104 -8.575 15.308 19.782 1.00 0.00 N ATOM 1617 CD2 HIS A 104 -6.406 14.950 19.676 1.00 0.00 C ATOM 1618 CE1 HIS A 104 -7.920 16.429 20.137 1.00 0.00 C ATOM 1619 NE2 HIS A 104 -6.596 16.266 20.090 1.00 0.00 N ATOM 0 H HIS A 104 -7.677 12.563 22.181 1.00 0.00 H new ATOM 0 HA HIS A 104 -9.379 12.714 20.675 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -7.136 12.445 18.623 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -8.763 12.993 18.274 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -5.446 14.477 19.530 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -8.407 17.349 20.425 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -5.878 16.956 20.310 1.00 0.00 H new ATOM 1627 N HIS A 105 -9.985 10.268 20.501 1.00 0.00 N ATOM 1628 CA HIS A 105 -10.484 8.908 20.169 1.00 0.00 C ATOM 1629 C HIS A 105 -11.050 8.912 18.745 1.00 0.00 C ATOM 1630 O HIS A 105 -10.872 7.977 17.991 1.00 0.00 O ATOM 1631 CB HIS A 105 -11.592 8.521 21.152 1.00 0.00 C ATOM 1632 CG HIS A 105 -11.023 8.380 22.539 1.00 0.00 C ATOM 1633 ND1 HIS A 105 -10.215 7.315 22.902 1.00 0.00 N ATOM 1634 CD2 HIS A 105 -11.147 9.156 23.666 1.00 0.00 C ATOM 1635 CE1 HIS A 105 -9.886 7.477 24.198 1.00 0.00 C ATOM 1636 NE2 HIS A 105 -10.430 8.584 24.712 1.00 0.00 N ATOM 0 H HIS A 105 -10.495 10.744 21.246 1.00 0.00 H new ATOM 0 HA HIS A 105 -9.667 8.190 20.238 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -12.375 9.279 21.147 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -12.053 7.583 20.842 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -11.715 10.072 23.730 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -9.259 6.795 24.754 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -10.339 8.934 25.666 1.00 0.00 H new ATOM 1644 N HIS A 106 -11.737 9.959 18.376 1.00 0.00 N ATOM 1645 CA HIS A 106 -12.322 10.027 17.008 1.00 0.00 C ATOM 1646 C HIS A 106 -11.223 10.366 15.996 1.00 0.00 C ATOM 1647 O HIS A 106 -11.005 9.567 15.100 1.00 0.00 O ATOM 1648 CB HIS A 106 -13.397 11.116 16.978 1.00 0.00 C ATOM 1649 CG HIS A 106 -14.084 11.123 15.639 1.00 0.00 C ATOM 1650 ND1 HIS A 106 -13.614 11.870 14.571 1.00 0.00 N ATOM 1651 CD2 HIS A 106 -15.214 10.490 15.184 1.00 0.00 C ATOM 1652 CE1 HIS A 106 -14.450 11.669 13.535 1.00 0.00 C ATOM 1653 NE2 HIS A 106 -15.443 10.836 13.856 1.00 0.00 N ATOM 1654 OXT HIS A 106 -10.620 11.418 16.134 1.00 0.00 O ATOM 0 H HIS A 106 -11.918 10.772 18.965 1.00 0.00 H new ATOM 0 HA HIS A 106 -12.764 9.065 16.750 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -14.126 10.941 17.769 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -12.946 12.090 17.170 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -15.832 9.824 15.768 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -14.332 12.126 12.563 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -16.206 10.521 13.256 1.00 0.00 H new TER 1662 HIS A 106